*HEADER    IMMUNE SYSTEM                           30-JUN-05   2A55              
*TITLE     SOLUTION STRUCTURE OF THE TWO N-TERMINAL CCP MODULES OF C4B-          
*TITLE    2 BINDING PROTEIN (C4BP) ALPHA-CHAIN.                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: C4B-BINDING PROTEIN;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: MODULES 1 AND 2 OF C4BP ALPHA-CHAIN, RESIDUES 49-          
*COMPND   5 126;                                                                 
*COMPND   6 SYNONYM: C4BP, PROLINE-RICH PROTEIN, PRP;                            
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: C4BPA;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)CODONPLUS-RP;                     
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET16                                     
*KEYWDS    COMPLEMENT, SCR, CCP MODULE                                           
*EXPDTA    NMR, 40 STRUCTURES                                                    
*AUTHOR    H.T.JENKINS, L.MARK, G.BALL, G.LINDAHL, D.UHRIN, A.M.BLOM,            
*AUTHOR   2 P.N.BARLOW                                                           
*REVDAT   1   13-DEC-05 2A55    0                                                

!NOE RESTRAINTS


 ASSI (
   (( segid "    " and resid 54   and name HZ2 ))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
  OR 
   (( segid "    " and resid 22   and name HE  ))
  OR 
   (( segid "    " and resid 1    and name HD21))
 )
      6.000     6.000     0.000 peak  7392 weight  0.10000E+01 volume  0.17700E+00 ppm1      6.939 ppm2      7.215
 ASSI (
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
  OR 
   (( segid "    " and resid 37   and name HE2 ))
  OR 
   (( segid "    " and resid 37   and name HE1 ))
 )(
   (( segid "    " and resid 35   and name HG1 ))
  OR 
   (( segid "    " and resid 10   and name HB2 ))
 )
      5.000     5.000     0.000 peak  7386 weight  0.10000E+01 volume  0.41200E+00 ppm1      6.690 ppm2      2.152
 ASSI (
   (( segid "    " and resid 16   and name HD13))
  OR 
   (( segid "    " and resid 16   and name HD12))
  OR 
   (( segid "    " and resid 16   and name HD11))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
  OR 
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      5.000     5.000     0.000 peak  5519 weight  0.10000E+01 volume  0.50800E+00 ppm1      0.776 ppm2      0.052
 ASSI (
   (( segid "    " and resid 16   and name HD13))
  OR 
   (( segid "    " and resid 16   and name HD12))
  OR 
   (( segid "    " and resid 16   and name HD11))
 )(
   (( segid "    " and resid 29   and name HB1 ))
  OR 
   (( segid "    " and resid 14   and name HB2 ))
  OR 
   (( segid "    " and resid 13   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5517 weight  0.10000E+01 volume  0.53700E+00 ppm1      0.777 ppm2      1.576
 ASSI (
   (( segid "    " and resid 16   and name HD13))
  OR 
   (( segid "    " and resid 16   and name HD12))
  OR 
   (( segid "    " and resid 16   and name HD11))
 )(
   (( segid "    " and resid 30   and name HB2 ))
  OR 
   (( segid "    " and resid 18   and name HB2 ))
  OR 
   (( segid "    " and resid 18   and name HB1 ))
  OR 
   (( segid "    " and resid 13   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5518 weight  0.10000E+01 volume  0.88100E+00 ppm1      0.777 ppm2      1.670
 ASSI (
   (( segid "    " and resid 70   and name HB2 ))
  OR 
   (( segid "    " and resid 70   and name HB1 ))
 )(
   (( segid "    " and resid 70   and name HA  ))
 )
      2.700     2.700     0.000 peak  8660 weight  0.10000E+01 volume  0.36280E+01 ppm1      1.754 ppm2      4.134
 ASSI (
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG1 ))
  OR 
   (( segid "    " and resid 53   and name HG1 ))
 )(
   (( segid "    " and resid 122  and name HB1 ))
  OR 
   (( segid "    " and resid 51   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5618 weight  0.10000E+01 volume  0.63100E+00 ppm1      2.164 ppm2      2.805
 ASSI (
   (( segid "    " and resid 53   and name HG2 ))
 )(
   (( segid "    " and resid 53   and name HN  ))
 )
      5.000     5.000     0.000 peak  6561 weight  0.10000E+01 volume  0.87100E+00 ppm1      2.094 ppm2      7.515
 ASSI (
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HG1 ))
 )(
   (( segid "    " and resid 103  and name HA  ))
 )
      6.000     6.000     0.000 peak  5102 weight  0.10000E+01 volume  0.26700E+00 ppm1      2.143 ppm2      5.065
 ASSI (
   (( segid "    " and resid 16   and name HB  ))
 )(
   (( segid "    " and resid 18   and name HA  ))
 )
      6.000     6.000     0.000 peak  7815 weight  0.10000E+01 volume  0.13000E+00 ppm1      1.898 ppm2      4.393
 ASSI (
   (( segid "    " and resid 122  and name HB1 ))
 )(
   (( segid "    " and resid 72   and name HN  ))
 )
      6.000     6.000     0.000 peak  6903 weight  0.10000E+01 volume  0.14200E+00 ppm1      2.749 ppm2      8.543
 ASSI (
   (( segid "    " and resid 15   and name HB1 ))
 )(
   (( segid "    " and resid 30   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5248 weight  0.10000E+01 volume  0.50300E+00 ppm1      2.692 ppm2      1.622
 ASSI (
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
  OR 
   (( segid "    " and resid 37   and name HE2 ))
  OR 
   (( segid "    " and resid 37   and name HE1 ))
 )(
   (( segid "    " and resid 84   and name HB2 ))
  OR 
   (( segid "    " and resid 62   and name HB2 ))
  OR 
   (( segid "    " and resid 10   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7473 weight  0.10000E+01 volume  0.91700E+00 ppm1      6.690 ppm2      2.522
 ASSI (
   (( segid "    " and resid 96   and name HB2 ))
 )(
   (( segid "    " and resid 123  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 73   and name HB1 ))
 )
      6.000     6.000     0.000 peak  5441 weight  0.10000E+01 volume  0.76000E-01 ppm1      2.499 ppm2      2.164
 ASSI (
   (( segid "    " and resid 100  and name HA2 ))
 )(
   (( segid "    " and resid 99   and name HA  ))
 )
      5.000     5.000     0.000 peak  5087 weight  0.10000E+01 volume  0.67100E+00 ppm1      3.589 ppm2      4.232
 ASSI (
   (( segid "    " and resid 64   and name HD2 ))
  OR 
   (( segid "    " and resid 64   and name HD1 ))
 )(
   (( segid "    " and resid 83   and name HN  ))
  OR 
   (( segid "    " and resid 82   and name HN  ))
 )
      6.000     6.000     0.000 peak  9322 weight  0.10000E+01 volume  0.18200E+00 ppm1      3.097 ppm2      7.918
 ASSI (
   (( segid "    " and resid 2    and name HB2 ))
 )(
   (( segid "    " and resid 54   and name HD1 ))
  OR 
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
  OR 
   (( segid "    " and resid 22   and name HN  ))
  OR 
   (( segid "    " and resid 1    and name HD21))
 )
      6.000     6.000     0.000 peak  7537 weight  0.10000E+01 volume  0.25200E+00 ppm1      2.231 ppm2      7.302
 ASSI (
   (( segid "    " and resid 68   and name HD2 ))
 )(
   (( segid "    " and resid 68   and name HG1 ))
 )
      5.000     5.000     0.000 peak  8637 weight  0.10000E+01 volume  0.37400E+00 ppm1      2.457 ppm2      1.545
 ASSI (
   (( segid "    " and resid 68   and name HD1 ))
 )(
   (( segid "    " and resid 68   and name HG1 ))
 )
      5.000     5.000     0.000 peak  8636 weight  0.10000E+01 volume  0.71300E+00 ppm1      3.204 ppm2      1.540
 ASSI (
   (( segid "    " and resid 115  and name HD1 ))
  OR 
   (( segid "    " and resid 54   and name HD1 ))
 )(
   (( segid "    " and resid 115  and name HB2 ))
  OR 
   (( segid "    " and resid 6    and name HD2 ))
 )
      5.000     5.000     0.000 peak  6661 weight  0.10000E+01 volume  0.57100E+00 ppm1      7.273 ppm2      2.774
 ASSI (
   (( segid "    " and resid 118  and name HD2 ))
 )(
   (( segid "    " and resid 118  and name HG1 ))
  OR 
   (( segid "    " and resid 118  and name HB2 ))
 )
      3.300     3.300     0.000 peak  9538 weight  0.10000E+01 volume  0.16290E+01 ppm1      3.763 ppm2      2.034
 ASSI (
   (( segid "    " and resid 125  and name HA  ))
 )(
   (( segid "    " and resid 125  and name HN  ))
 )
      3.300     3.300     0.000 peak  6627 weight  0.10000E+01 volume  0.15130E+01 ppm1      4.180 ppm2      7.813
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 19   and name HN  ))
  OR 
   (( segid "    " and resid 18   and name HN  ))
 )
      5.000     5.000     0.000 peak  7247 weight  0.10000E+01 volume  0.14180E+01 ppm1      4.411 ppm2      8.045
 ASSI (
   (( segid "    " and resid 56   and name HA  ))
  OR 
   (( segid "    " and resid 54   and name HA  ))
 )(
   (( segid "    " and resid 57   and name HN  ))
  OR 
   (( segid "    " and resid 48   and name HN  ))
 )
      3.300     3.300     0.000 peak  6610 weight  0.10000E+01 volume  0.20470E+01 ppm1      4.977 ppm2      8.540
 ASSI (
   (( segid "    " and resid 56   and name HA  ))
  OR 
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 63   and name HN  ))
  OR 
   (( segid "    " and resid 56   and name HN  ))
 )
      3.300     3.300     0.000 peak  6029 weight  0.10000E+01 volume  0.20990E+01 ppm1      4.985 ppm2      7.806
 ASSI (
   (( segid "    " and resid 40   and name HA  ))
  OR 
   (( segid "    " and resid 30   and name HA  ))
 )(
   (( segid "    " and resid 41   and name HB2 ))
  OR 
   (( segid "    " and resid 13   and name HA  ))
 )
      6.000     6.000     0.000 peak  4911 weight  0.10000E+01 volume  0.16500E+00 ppm1      4.487 ppm2      3.089
 ASSI (
   (( segid "    " and resid 40   and name HA  ))
  OR 
   (( segid "    " and resid 30   and name HA  ))
 )(
   (( segid "    " and resid 60   and name HN  ))
  OR 
   (( segid "    " and resid 45   and name HN  ))
  OR 
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8023 weight  0.10000E+01 volume  0.40300E+00 ppm1      4.495 ppm2      6.552
 ASSI (
   (( segid "    " and resid 31   and name HA  ))
 )(
   (( segid "    " and resid 29   and name HB1 ))
  OR 
   (( segid "    " and resid 14   and name HB2 ))
  OR 
   (( segid "    " and resid 13   and name HB1 ))
 )
      5.000     5.000     0.000 peak  4917 weight  0.10000E+01 volume  0.40900E+00 ppm1      4.799 ppm2      1.582
 ASSI (
   (( segid "    " and resid 31   and name HA  ))
 )(
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      6.000     6.000     0.000 peak  4957 weight  0.10000E+01 volume  0.87000E-01 ppm1      4.801 ppm2      6.521
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 47   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HG22))
  OR 
   (( segid "    " and resid 47   and name HG21))
 )(
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
  OR 
   (( segid "    " and resid 6    and name HG2 ))
 )
      3.300     3.300     0.000 peak  5615 weight  0.10000E+01 volume  0.15130E+01 ppm1      0.978 ppm2      1.526
 ASSI (
   (( segid "    " and resid 86   and name HA  ))
  OR 
   (( segid "    " and resid 42   and name HA  ))
  OR 
   (( segid "    " and resid 38   and name HA  ))
 )(
   (( segid "    " and resid 87   and name HB2 ))
  OR 
   (( segid "    " and resid 82   and name HB1 ))
  OR 
   (( segid "    " and resid 39   and name HB2 ))
  OR 
   (( segid "    " and resid 39   and name HB1 ))
 )
      5.000     5.000     0.000 peak  4938 weight  0.10000E+01 volume  0.77400E+00 ppm1      4.353 ppm2      1.923
 ASSI (
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )(
   (( segid "    " and resid 44   and name HN  ))
  OR 
   (( segid "    " and resid 31   and name HN  ))
 )
      5.000     5.000     0.000 peak  5325 weight  0.10000E+01 volume  0.94100E+00 ppm1      0.891 ppm2      8.423
 ASSI (
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )(
   (( segid "    " and resid 30   and name HA  ))
 )
      5.000     5.000     0.000 peak  5324 weight  0.10000E+01 volume  0.11750E+01 ppm1      0.891 ppm2      4.526
 ASSI (
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )(
   (( segid "    " and resid 110  and name HB1 ))
  OR 
   (( segid "    " and resid 84   and name HB1 ))
  OR 
   (( segid "    " and resid 63   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9389 weight  0.10000E+01 volume  0.34500E+00 ppm1      0.695 ppm2      2.750
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 79   and name HG1 ))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 64   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5708 weight  0.10000E+01 volume  0.50100E+00 ppm1      0.872 ppm2      1.399
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      3.300     3.300     0.000 peak  5707 weight  0.10000E+01 volume  0.20660E+01 ppm1      0.873 ppm2      0.498
 ASSI (
   (( segid "    " and resid 76   and name HA  ))
  OR 
   (( segid "    " and resid 21   and name HA  ))
  OR 
   (( segid "    " and resid 6    and name HA  ))
 )(
   (( segid "    " and resid 90   and name HB1 ))
  OR 
   (( segid "    " and resid 23   and name HB2 ))
  OR 
   (( segid "    " and resid 6    and name HD2 ))
  OR 
   (( segid "    " and resid 1    and name HB1 ))
 )
      6.000     6.000     0.000 peak  4873 weight  0.10000E+01 volume  0.24300E+00 ppm1      4.300 ppm2      2.751
 ASSI (
   (( segid "    " and resid 21   and name HA  ))
  OR 
   (( segid "    " and resid 6    and name HA  ))
 )(
   (( segid "    " and resid 6    and name HD1 ))
  OR 
   (( segid "    " and resid 5    and name HD1 ))
  OR 
   (( segid "    " and resid 5    and name HA  ))
 )
      6.000     6.000     0.000 peak  4872 weight  0.10000E+01 volume  0.24200E+00 ppm1      4.310 ppm2      3.436
 ASSI (
   (( segid "    " and resid 21   and name HA  ))
  OR 
   (( segid "    " and resid 17   and name HA  ))
  OR 
   (( segid "    " and resid 6    and name HA  ))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
  OR 
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )
      6.000     6.000     0.000 peak  4874 weight  0.10000E+01 volume  0.16500E+00 ppm1      4.313 ppm2      0.077
 ASSI (
   (( segid "    " and resid 18   and name HD23))
  OR 
   (( segid "    " and resid 18   and name HD22))
  OR 
   (( segid "    " and resid 18   and name HD21))
 )(
   (( segid "    " and resid 5    and name HD1 ))
 )
      6.000     6.000     0.000 peak  7853 weight  0.10000E+01 volume  0.12600E+00 ppm1      0.851 ppm2      3.501
 ASSI (
   (( segid "    " and resid 18   and name HD13))
  OR 
   (( segid "    " and resid 18   and name HD12))
  OR 
   (( segid "    " and resid 18   and name HD11))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      5.000     5.000     0.000 peak  5532 weight  0.10000E+01 volume  0.46600E+00 ppm1      0.888 ppm2      0.122
 ASSI (
   (( segid "    " and resid 18   and name HD13))
  OR 
   (( segid "    " and resid 18   and name HD12))
  OR 
   (( segid "    " and resid 18   and name HD11))
 )(
   (( segid "    " and resid 5    and name HB2 ))
 )
      6.000     6.000     0.000 peak  5533 weight  0.10000E+01 volume  0.22100E+00 ppm1      0.888 ppm2      0.263
 ASSI (
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
  OR 
   (( segid "    " and resid 63   and name HG2 ))
 )(
   (( segid "    " and resid 85   and name HN  ))
  OR 
   (( segid "    " and resid 65   and name HN  ))
 )
      6.000     6.000     0.000 peak  8944 weight  0.10000E+01 volume  0.19900E+00 ppm1      0.967 ppm2      8.567
 ASSI (
   (( segid "    " and resid 61   and name HG11))
  OR 
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 62   and name HA  ))
  OR 
   (( segid "    " and resid 40   and name HB1 ))
  OR 
   (( segid "    " and resid 32   and name HB  ))
  OR 
   (( segid "    " and resid 9    and name HB1 ))
 )
      6.000     6.000     0.000 peak  5627 weight  0.10000E+01 volume  0.29600E+00 ppm1      1.224 ppm2      3.917
 ASSI (
   (( segid "    " and resid 61   and name HG11))
  OR 
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 40   and name HB2 ))
  OR 
   (( segid "    " and resid 10   and name HA  ))
 )
      5.000     5.000     0.000 peak  5628 weight  0.10000E+01 volume  0.40400E+00 ppm1      1.227 ppm2      3.480
 ASSI (
   (( segid "    " and resid 68   and name HG1 ))
  OR 
   (( segid "    " and resid 6    and name HG2 ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
  OR 
   (( segid "    " and resid 54   and name HE3 ))
  OR 
   (( segid "    " and resid 10   and name HZ  ))
 )
      5.000     5.000     0.000 peak  9349 weight  0.10000E+01 volume  0.48000E+00 ppm1      1.498 ppm2      7.021
 ASSI (
   (( segid "    " and resid 118  and name HG2 ))
 )(
   (( segid "    " and resid 118  and name HG1 ))
  OR 
   (( segid "    " and resid 118  and name HB2 ))
 )
      2.700     2.700     0.000 peak  7507 weight  0.10000E+01 volume  0.66030E+01 ppm1      1.810 ppm2      2.025
 ASSI (
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 71   and name HG  ))
  OR 
   (( segid "    " and resid 68   and name HG2 ))
 )(
   (( segid "    " and resid 122  and name HB1 ))
  OR 
   (( segid "    " and resid 90   and name HB1 ))
 )
      6.000     6.000     0.000 peak  5656 weight  0.10000E+01 volume  0.29200E+00 ppm1      1.011 ppm2      2.726
 ASSI (
   (( segid "    " and resid 117  and name HB2 ))
 )(
   (( segid "    " and resid 118  and name HD2 ))
  OR 
   (( segid "    " and resid 101  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9534 weight  0.10000E+01 volume  0.69200E+00 ppm1      3.129 ppm2      3.783
 ASSI (
   (( segid "    " and resid 6    and name HB2 ))
 )(
   (( segid "    " and resid 7    and name HN  ))
 )
      5.000     5.000     0.000 peak  5794 weight  0.10000E+01 volume  0.59400E+00 ppm1      1.635 ppm2      8.281
 ASSI (
   (( segid "    " and resid 75   and name HB1 ))
 )(
   (( segid "    " and resid 76   and name HN  ))
 )
      5.000     5.000     0.000 peak  8791 weight  0.10000E+01 volume  0.11440E+01 ppm1      1.887 ppm2      8.337
 ASSI (
   (( segid "    " and resid 87   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )(
   (( segid "    " and resid 87   and name HN  ))
  OR 
   (( segid "    " and resid 81   and name HN  ))
 )
      5.000     5.000     0.000 peak  9014 weight  0.10000E+01 volume  0.73100E+00 ppm1      1.873 ppm2      8.712
 ASSI (
   (( segid "    " and resid 64   and name HB1 ))
 )(
   (( segid "    " and resid 83   and name HN  ))
  OR 
   (( segid "    " and resid 82   and name HN  ))
 )
      5.000     5.000     0.000 peak  5425 weight  0.10000E+01 volume  0.92900E+00 ppm1      1.628 ppm2      7.960
 ASSI (
   (( segid "    " and resid 64   and name HB2 ))
 )(
   (( segid "    " and resid 64   and name HG2 ))
  OR 
   (( segid "    " and resid 64   and name HG1 ))
 )
      3.300     3.300     0.000 peak  8555 weight  0.10000E+01 volume  0.17830E+01 ppm1      1.418 ppm2      1.329
 ASSI (
   (( segid "    " and resid 14   and name HB1 ))
 )(
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )
      5.000     5.000     0.000 peak  7796 weight  0.10000E+01 volume  0.44200E+00 ppm1      1.856 ppm2      1.106
 ASSI (
   (( segid "    " and resid 14   and name HB2 ))
 )(
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
  OR 
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5244 weight  0.10000E+01 volume  0.32900E+00 ppm1      1.555 ppm2      1.121
 ASSI (
   (( segid "    " and resid 1    and name HA  ))
 )(
   (( segid "    " and resid 23   and name HB1 ))
  OR 
   (( segid "    " and resid 22   and name HD2 ))
  OR 
   (( segid "    " and resid 2    and name HB1 ))
 )
      5.000     5.000     0.000 peak  6522 weight  0.10000E+01 volume  0.40100E+00 ppm1      4.898 ppm2      3.034
 ASSI (
   (( segid "    " and resid 1    and name HA  ))
 )(
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )
      5.000     5.000     0.000 peak  6148 weight  0.10000E+01 volume  0.33700E+00 ppm1      4.900 ppm2      1.050
 ASSI (
   (( segid "    " and resid 2    and name HB1 ))
 )(
   (( segid "    " and resid 23   and name HB2 ))
  OR 
   (( segid "    " and resid 6    and name HD2 ))
  OR 
   (( segid "    " and resid 1    and name HB1 ))
 )
      5.000     5.000     0.000 peak  5162 weight  0.10000E+01 volume  0.36300E+00 ppm1      3.035 ppm2      2.730
 ASSI (
   (( segid "    " and resid 2    and name HB1 ))
 )(
   (( segid "    " and resid 54   and name HD1 ))
  OR 
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
  OR 
   (( segid "    " and resid 1    and name HD21))
 )
      6.000     6.000     0.000 peak  7536 weight  0.10000E+01 volume  0.28900E+00 ppm1      3.034 ppm2      7.304
 ASSI (
   (( segid "    " and resid 4    and name HB1 ))
 )(
   (( segid "    " and resid 21   and name HB  ))
  OR 
   (( segid "    " and resid 21   and name HA  ))
  OR 
   (( segid "    " and resid 20   and name HA  ))
  OR 
   (( segid "    " and resid 6    and name HA  ))
 )
      6.000     6.000     0.000 peak  7546 weight  0.10000E+01 volume  0.20100E+00 ppm1      2.433 ppm2      4.303
 ASSI (
   (( segid "    " and resid 4    and name HB1 ))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
  OR 
   (( segid "    " and resid 22   and name HE  ))
 )
      6.000     6.000     0.000 peak  7543 weight  0.10000E+01 volume  0.29900E+00 ppm1      2.436 ppm2      7.211
 ASSI (
   (( segid "    " and resid 4    and name HD1 ))
 )(
   (( segid "    " and resid 21   and name HB  ))
  OR 
   (( segid "    " and resid 21   and name HA  ))
  OR 
   (( segid "    " and resid 6    and name HA  ))
 )
      5.000     5.000     0.000 peak  7622 weight  0.10000E+01 volume  0.32100E+00 ppm1      3.915 ppm2      4.294
 ASSI (
   (( segid "    " and resid 4    and name HD2 ))
 )(
   (( segid "    " and resid 21   and name HB  ))
  OR 
   (( segid "    " and resid 21   and name HA  ))
  OR 
   (( segid "    " and resid 6    and name HA  ))
 )
      6.000     6.000     0.000 peak  4811 weight  0.10000E+01 volume  0.19000E+00 ppm1      3.638 ppm2      4.300
 ASSI (
   (( segid "    " and resid 4    and name HG1 ))
 )(
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )
      6.000     6.000     0.000 peak  7608 weight  0.10000E+01 volume  0.19600E+00 ppm1      2.191 ppm2      1.063
 ASSI (
   (( segid "    " and resid 4    and name HG1 ))
 )(
   (( segid "    " and resid 21   and name HB  ))
  OR 
   (( segid "    " and resid 21   and name HA  ))
  OR 
   (( segid "    " and resid 20   and name HA  ))
  OR 
   (( segid "    " and resid 6    and name HA  ))
 )
      5.000     5.000     0.000 peak  5262 weight  0.10000E+01 volume  0.76000E+00 ppm1      2.189 ppm2      4.300
 ASSI (
   (( segid "    " and resid 4    and name HG2 ))
 )(
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )
      5.000     5.000     0.000 peak  7609 weight  0.10000E+01 volume  0.31800E+00 ppm1      2.060 ppm2      1.062
 ASSI (
   (( segid "    " and resid 4    and name HG2 ))
 )(
   (( segid "    " and resid 21   and name HB  ))
  OR 
   (( segid "    " and resid 21   and name HA  ))
 )
      5.000     5.000     0.000 peak  5260 weight  0.10000E+01 volume  0.11590E+01 ppm1      2.061 ppm2      4.297
 ASSI (
   (( segid "    " and resid 5    and name HA  ))
 )(
   (( segid "    " and resid 6    and name HG1 ))
 )
      6.000     6.000     0.000 peak  7625 weight  0.10000E+01 volume  0.22100E+00 ppm1      3.479 ppm2      1.998
 ASSI (
   (( segid "    " and resid 5    and name HG2 ))
 )(
   (( segid "    " and resid 23   and name HA  ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )
      5.000     5.000     0.000 peak  7647 weight  0.10000E+01 volume  0.66200E+00 ppm1      0.912 ppm2      4.648
 ASSI (
   (( segid "    " and resid 6    and name HG1 ))
 )(
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
  OR 
   (( segid "    " and resid 54   and name HZ3 ))
 )
      6.000     6.000     0.000 peak  7671 weight  0.10000E+01 volume  0.29400E+00 ppm1      1.980 ppm2      6.661
 ASSI (
   (( segid "    " and resid 7    and name HB  ))
 )(
   (( segid "    " and resid 8    and name HA  ))
  OR 
   (( segid "    " and resid 6    and name HA  ))
 )
      5.000     5.000     0.000 peak  5219 weight  0.10000E+01 volume  0.44700E+00 ppm1      3.869 ppm2      4.327
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 29   and name HB1 ))
  OR 
   (( segid "    " and resid 6    and name HB2 ))
 )
      6.000     6.000     0.000 peak  7717 weight  0.10000E+01 volume  0.11300E+00 ppm1     -0.294 ppm2      1.624
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 31   and name HB1 ))
 )
      6.000     6.000     0.000 peak  7720 weight  0.10000E+01 volume  0.97000E-01 ppm1     -0.295 ppm2      2.658
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 59   and name HE2 ))
  OR 
   (( segid "    " and resid 59   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7728 weight  0.10000E+01 volume  0.39000E+00 ppm1     -0.295 ppm2      6.927
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
  OR 
   (( segid "    " and resid 8    and name HB1 ))
 )
      3.300     3.300     0.000 peak  7703 weight  0.10000E+01 volume  0.20210E+01 ppm1     -0.294 ppm2      1.233
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 9    and name HB2 ))
  OR 
   (( segid "    " and resid 7    and name HB  ))
  OR 
   (( segid "    " and resid 7    and name HA  ))
 )
      6.000     6.000     0.000 peak  7733 weight  0.10000E+01 volume  0.17100E+00 ppm1      0.071 ppm2      3.830
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      6.000     6.000     0.000 peak  7739 weight  0.10000E+01 volume  0.21000E+00 ppm1      0.071 ppm2      6.834
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 12   and name HA  ))
 )
      6.000     6.000     0.000 peak  7734 weight  0.10000E+01 volume  0.16400E+00 ppm1      0.072 ppm2      4.634
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 59   and name HZ  ))
  OR 
   (( segid "    " and resid 10   and name HE2 ))
  OR 
   (( segid "    " and resid 10   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7736 weight  0.10000E+01 volume  0.37300E+00 ppm1      0.073 ppm2      6.293
 ASSI (
   (( segid "    " and resid 9    and name HA  ))
 )(
   (( segid "    " and resid 12   and name HA  ))
 )
      6.000     6.000     0.000 peak  7747 weight  0.10000E+01 volume  0.62000E-01 ppm1      4.029 ppm2      4.583
 ASSI (
   (( segid "    " and resid 10   and name HA  ))
 )(
   (( segid "    " and resid 37   and name HE2 ))
  OR 
   (( segid "    " and resid 37   and name HE1 ))
  OR 
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
  OR 
   (( segid "    " and resid 10   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HD1 ))
 )
      5.000     5.000     0.000 peak  4844 weight  0.10000E+01 volume  0.54300E+00 ppm1      3.523 ppm2      6.690
 ASSI (
   (( segid "    " and resid 10   and name HB2 ))
 )(
   (( segid "    " and resid 60   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB1 ))
 )
      6.000     6.000     0.000 peak  5238 weight  0.10000E+01 volume  0.26400E+00 ppm1      2.144 ppm2      3.006
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
  OR 
   (( segid "    " and resid 8    and name HB2 ))
 )
      5.000     5.000     0.000 peak  7765 weight  0.10000E+01 volume  0.37200E+00 ppm1      1.225 ppm2     -0.116
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 10   and name HB2 ))
 )
      5.000     5.000     0.000 peak  7763 weight  0.10000E+01 volume  0.32800E+00 ppm1      1.225 ppm2      2.141
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 60   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB1 ))
  OR 
   (( segid "    " and resid 44   and name HA  ))
 )
      5.000     5.000     0.000 peak  7762 weight  0.10000E+01 volume  0.36000E+00 ppm1      1.226 ppm2      3.007
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 59   and name HZ  ))
  OR 
   (( segid "    " and resid 10   and name HE2 ))
  OR 
   (( segid "    " and resid 10   and name HE1 ))
 )
      3.300     3.300     0.000 peak  7761 weight  0.10000E+01 volume  0.15230E+01 ppm1      1.226 ppm2      6.318
 ASSI (
   (( segid "    " and resid 15   and name HB1 ))
 )(
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      5.000     5.000     0.000 peak  5247 weight  0.10000E+01 volume  0.41500E+00 ppm1      2.692 ppm2      0.870
 ASSI (
   (( segid "    " and resid 15   and name HB2 ))
 )(
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      5.000     5.000     0.000 peak  7805 weight  0.10000E+01 volume  0.34400E+00 ppm1      2.478 ppm2      0.869
 ASSI (
   (( segid "    " and resid 16   and name HA  ))
 )(
   (( segid "    " and resid 17   and name HG23))
  OR 
   (( segid "    " and resid 17   and name HG22))
  OR 
   (( segid "    " and resid 17   and name HG21))
  OR 
   (( segid "    " and resid 16   and name HG12))
 )
      5.000     5.000     0.000 peak  7807 weight  0.10000E+01 volume  0.10130E+01 ppm1      4.113 ppm2      1.119
 ASSI (
   (( segid "    " and resid 16   and name HA  ))
 )(
   (( segid "    " and resid 19   and name HN  ))
  OR 
   (( segid "    " and resid 18   and name HN  ))
 )
      6.000     6.000     0.000 peak  7811 weight  0.10000E+01 volume  0.23300E+00 ppm1      4.113 ppm2      8.074
 ASSI (
   (( segid "    " and resid 16   and name HB  ))
 )(
   (( segid "    " and resid 16   and name HG12))
 )
      5.000     5.000     0.000 peak  7813 weight  0.10000E+01 volume  0.74000E+00 ppm1      1.898 ppm2      1.115
 ASSI (
   (( segid "    " and resid 16   and name HD13))
  OR 
   (( segid "    " and resid 16   and name HD12))
  OR 
   (( segid "    " and resid 16   and name HD11))
 )(
   (( segid "    " and resid 13   and name HD1 ))
  OR 
   (( segid "    " and resid 5    and name HD1 ))
  OR 
   (( segid "    " and resid 5    and name HA  ))
 )
      5.000     5.000     0.000 peak  7824 weight  0.10000E+01 volume  0.30100E+00 ppm1      0.776 ppm2      3.457
 ASSI (
   (( segid "    " and resid 17   and name HA  ))
 )(
   (( segid "    " and resid 18   and name HD23))
  OR 
   (( segid "    " and resid 18   and name HD22))
  OR 
   (( segid "    " and resid 18   and name HD21))
  OR 
   (( segid "    " and resid 18   and name HD13))
  OR 
   (( segid "    " and resid 18   and name HD12))
  OR 
   (( segid "    " and resid 18   and name HD11))
  OR 
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      3.300     3.300     0.000 peak  5250 weight  0.10000E+01 volume  0.20270E+01 ppm1      4.336 ppm2      0.845
 ASSI (
   (( segid "    " and resid 17   and name HB  ))
 )(
   (( segid "    " and resid 18   and name HB2 ))
  OR 
   (( segid "    " and resid 18   and name HB1 ))
  OR 
   (( segid "    " and resid 13   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7838 weight  0.10000E+01 volume  0.39400E+00 ppm1      4.169 ppm2      1.669
 ASSI (
   (( segid "    " and resid 17   and name HB  ))
 )(
   (( segid "    " and resid 20   and name HB2 ))
  OR 
   (( segid "    " and resid 20   and name HB1 ))
 )
      6.000     6.000     0.000 peak  5251 weight  0.10000E+01 volume  0.26300E+00 ppm1      4.169 ppm2      1.758
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 19   and name HG23))
  OR 
   (( segid "    " and resid 19   and name HG22))
  OR 
   (( segid "    " and resid 19   and name HG21))
  OR 
   (( segid "    " and resid 17   and name HG23))
  OR 
   (( segid "    " and resid 17   and name HG22))
  OR 
   (( segid "    " and resid 17   and name HG21))
  OR 
   (( segid "    " and resid 16   and name HG12))
 )
      6.000     6.000     0.000 peak  4863 weight  0.10000E+01 volume  0.29400E+00 ppm1      4.413 ppm2      1.120
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )
      6.000     6.000     0.000 peak  7845 weight  0.10000E+01 volume  0.26900E+00 ppm1      4.413 ppm2      7.209
 ASSI (
   (( segid "    " and resid 18   and name HB1 ))
 )(
   (( segid "    " and resid 19   and name HN  ))
  OR 
   (( segid "    " and resid 18   and name HN  ))
 )
      3.300     3.300     0.000 peak  6219 weight  0.10000E+01 volume  0.28470E+01 ppm1      1.692 ppm2      8.063
 ASSI (
   (( segid "    " and resid 18   and name HB1 ))
 )(
   (( segid "    " and resid 21   and name HA  ))
  OR 
   (( segid "    " and resid 20   and name HA  ))
  OR 
   (( segid "    " and resid 19   and name HB  ))
  OR 
   (( segid "    " and resid 19   and name HA  ))
  OR 
   (( segid "    " and resid 17   and name HA  ))
 )
      5.000     5.000     0.000 peak  7848 weight  0.10000E+01 volume  0.38000E+00 ppm1      1.691 ppm2      4.298
 ASSI (
   (( segid "    " and resid 18   and name HB2 ))
 )(
   (( segid "    " and resid 21   and name HA  ))
  OR 
   (( segid "    " and resid 20   and name HA  ))
  OR 
   (( segid "    " and resid 19   and name HB  ))
  OR 
   (( segid "    " and resid 19   and name HA  ))
  OR 
   (( segid "    " and resid 17   and name HA  ))
 )
      5.000     5.000     0.000 peak  7849 weight  0.10000E+01 volume  0.40300E+00 ppm1      1.637 ppm2      4.298
 ASSI (
   (( segid "    " and resid 18   and name HB2 ))
 )(
   (( segid "    " and resid 19   and name HN  ))
  OR 
   (( segid "    " and resid 18   and name HN  ))
 )
      3.300     3.300     0.000 peak  6218 weight  0.10000E+01 volume  0.28380E+01 ppm1      1.636 ppm2      8.062
 ASSI (
   (( segid "    " and resid 18   and name HD13))
  OR 
   (( segid "    " and resid 18   and name HD12))
  OR 
   (( segid "    " and resid 18   and name HD11))
 )(
   (( segid "    " and resid 5    and name HD1 ))
  OR 
   (( segid "    " and resid 5    and name HA  ))
 )
      6.000     6.000     0.000 peak  5308 weight  0.10000E+01 volume  0.15400E+00 ppm1      0.887 ppm2      3.455
 ASSI (
   (( segid "    " and resid 18   and name HD13))
  OR 
   (( segid "    " and resid 18   and name HD12))
  OR 
   (( segid "    " and resid 18   and name HD11))
 )(
   (( segid "    " and resid 20   and name HB2 ))
  OR 
   (( segid "    " and resid 20   and name HB1 ))
  OR 
   (( segid "    " and resid 13   and name HG2 ))
  OR 
   (( segid "    " and resid 13   and name HG1 ))
  OR 
   (( segid "    " and resid 4    and name HB2 ))
 )
      5.000     5.000     0.000 peak  7858 weight  0.10000E+01 volume  0.67400E+00 ppm1      0.888 ppm2      1.764
 ASSI (
   (( segid "    " and resid 18   and name HD13))
  OR 
   (( segid "    " and resid 18   and name HD12))
  OR 
   (( segid "    " and resid 18   and name HD11))
 )(
   (( segid "    " and resid 18   and name HB2 ))
  OR 
   (( segid "    " and resid 18   and name HB1 ))
 )
      3.300     3.300     0.000 peak  7857 weight  0.10000E+01 volume  0.23690E+01 ppm1      0.890 ppm2      1.673
 ASSI (
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HG1 ))
 )(
   (( segid "    " and resid 18   and name HD23))
  OR 
   (( segid "    " and resid 18   and name HD22))
  OR 
   (( segid "    " and resid 18   and name HD21))
  OR 
   (( segid "    " and resid 18   and name HD13))
  OR 
   (( segid "    " and resid 18   and name HD12))
  OR 
   (( segid "    " and resid 18   and name HD11))
  OR 
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      6.000     6.000     0.000 peak  5536 weight  0.10000E+01 volume  0.29500E+00 ppm1      2.032 ppm2      0.872
 ASSI (
   (( segid "    " and resid 21   and name HB  ))
 )(
   (( segid "    " and resid 22   and name HG2 ))
  OR 
   (( segid "    " and resid 22   and name HG1 ))
  OR 
   (( segid "    " and resid 22   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5258 weight  0.10000E+01 volume  0.37900E+00 ppm1      4.271 ppm2      1.519
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
 )(
   (( segid "    " and resid 23   and name HB2 ))
  OR 
   (( segid "    " and resid 1    and name HB1 ))
 )
      5.000     5.000     0.000 peak  4868 weight  0.10000E+01 volume  0.46300E+00 ppm1      4.933 ppm2      2.750
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
 )(
   (( segid "    " and resid 27   and name HB  ))
  OR 
   (( segid "    " and resid 3    and name HA2 ))
 )
      5.000     5.000     0.000 peak  7879 weight  0.10000E+01 volume  0.53500E+00 ppm1      4.933 ppm2      3.971
 ASSI (
   (( segid "    " and resid 22   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HB1 ))
 )(
   (( segid "    " and resid 22   and name HD2 ))
  OR 
   (( segid "    " and resid 22   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7887 weight  0.10000E+01 volume  0.99400E+00 ppm1      1.528 ppm2      3.080
 ASSI (
   (( segid "    " and resid 23   and name HB2 ))
 )(
   (( segid "    " and resid 48   and name HA  ))
  OR 
   (( segid "    " and resid 27   and name HB  ))
  OR 
   (( segid "    " and resid 27   and name HA  ))
 )
      6.000     6.000     0.000 peak  7896 weight  0.10000E+01 volume  0.19800E+00 ppm1      2.713 ppm2      4.015
 ASSI (
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )(
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
  OR 
   (( segid "    " and resid 16   and name HD13))
  OR 
   (( segid "    " and resid 16   and name HD12))
  OR 
   (( segid "    " and resid 16   and name HD11))
 )
      6.000     6.000     0.000 peak  7902 weight  0.10000E+01 volume  0.27500E+00 ppm1      7.315 ppm2      0.779
 ASSI (
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )(
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HG1 ))
  OR 
   (( segid "    " and resid 22   and name HG2 ))
  OR 
   (( segid "    " and resid 22   and name HG1 ))
  OR 
   (( segid "    " and resid 22   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7901 weight  0.10000E+01 volume  0.97700E+00 ppm1      7.318 ppm2      1.520
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 26   and name HA1 ))
  OR 
   (( segid "    " and resid 24   and name HA  ))
 )
      6.000     6.000     0.000 peak  4897 weight  0.10000E+01 volume  0.21900E+00 ppm1      3.514 ppm2      4.386
 ASSI (
   (( segid "    " and resid 25   and name HB  ))
 )(
   (( segid "    " and resid 24   and name HB2 ))
  OR 
   (( segid "    " and resid 24   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7926 weight  0.10000E+01 volume  0.30200E+00 ppm1      3.790 ppm2      1.764
 ASSI (
   (( segid "    " and resid 25   and name HB  ))
 )(
   (( segid "    " and resid 26   and name HA1 ))
  OR 
   (( segid "    " and resid 24   and name HA  ))
 )
      5.000     5.000     0.000 peak  7907 weight  0.10000E+01 volume  0.46000E+00 ppm1      3.787 ppm2      4.394
 ASSI (
   (( segid "    " and resid 26   and name HA1 ))
 )(
   (( segid "    " and resid 47   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HG22))
  OR 
   (( segid "    " and resid 47   and name HG21))
  OR 
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )
      5.000     5.000     0.000 peak  4904 weight  0.10000E+01 volume  0.60300E+00 ppm1      4.361 ppm2      1.017
 ASSI (
   (( segid "    " and resid 26   and name HA2 ))
 )(
   (( segid "    " and resid 47   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HG22))
  OR 
   (( segid "    " and resid 47   and name HG21))
  OR 
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )
      5.000     5.000     0.000 peak  4905 weight  0.10000E+01 volume  0.51600E+00 ppm1      3.476 ppm2      1.009
 ASSI (
   (( segid "    " and resid 27   and name HA  ))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      6.000     6.000     0.000 peak  7933 weight  0.10000E+01 volume  0.20400E+00 ppm1      4.064 ppm2      4.634
 ASSI (
   (( segid "    " and resid 27   and name HB  ))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      5.000     5.000     0.000 peak  5266 weight  0.10000E+01 volume  0.52700E+00 ppm1      4.009 ppm2      4.635
 ASSI (
   (( segid "    " and resid 27   and name HB  ))
 )(
   (( segid "    " and resid 54   and name HH2 ))
 )
      6.000     6.000     0.000 peak  7937 weight  0.10000E+01 volume  0.18500E+00 ppm1      4.012 ppm2      6.241
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 54   and name HD1 ))
  OR 
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
  OR 
   (( segid "    " and resid 22   and name HN  ))
 )
      3.300     3.300     0.000 peak  6242 weight  0.10000E+01 volume  0.16080E+01 ppm1      1.509 ppm2      7.315
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 23   and name HA  ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )
      5.000     5.000     0.000 peak  5550 weight  0.10000E+01 volume  0.66400E+00 ppm1      1.508 ppm2      4.661
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 23   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5553 weight  0.10000E+01 volume  0.38900E+00 ppm1      1.508 ppm2      2.724
 ASSI (
   (( segid "    " and resid 28   and name HB  ))
 )(
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )
      5.000     5.000     0.000 peak  5270 weight  0.10000E+01 volume  0.71100E+00 ppm1      3.942 ppm2      1.532
 ASSI (
   (( segid "    " and resid 28   and name HG23))
  OR 
   (( segid "    " and resid 28   and name HG22))
  OR 
   (( segid "    " and resid 28   and name HG21))
 )(
   (( segid "    " and resid 45   and name HB  ))
 )
      3.300     3.300     0.000 peak  7969 weight  0.10000E+01 volume  0.19080E+01 ppm1      1.136 ppm2      3.862
 ASSI (
   (( segid "    " and resid 29   and name HA  ))
 )(
   (( segid "    " and resid 29   and name HG  ))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )
      5.000     5.000     0.000 peak  7955 weight  0.10000E+01 volume  0.49300E+00 ppm1      4.763 ppm2      1.487
 ASSI (
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )(
   (( segid "    " and resid 45   and name HN  ))
  OR 
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8000 weight  0.10000E+01 volume  0.13500E+00 ppm1      0.073 ppm2      6.540
 ASSI (
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )(
   (( segid "    " and resid 23   and name HA  ))
  OR 
   (( segid "    " and resid 12   and name HA  ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )
      6.000     6.000     0.000 peak  8005 weight  0.10000E+01 volume  0.14400E+00 ppm1      0.074 ppm2      4.644
 ASSI (
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )(
   (( segid "    " and resid 54   and name HH2 ))
  OR 
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )
      5.000     5.000     0.000 peak  8001 weight  0.10000E+01 volume  0.12330E+01 ppm1      0.074 ppm2      6.242
 ASSI (
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )(
   (( segid "    " and resid 28   and name HG23))
  OR 
   (( segid "    " and resid 28   and name HG22))
  OR 
   (( segid "    " and resid 28   and name HG21))
  OR 
   (( segid "    " and resid 5    and name HB1 ))
 )
      5.000     5.000     0.000 peak  8008 weight  0.10000E+01 volume  0.41600E+00 ppm1      0.075 ppm2      1.154
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 46   and name HA  ))
  OR 
   (( segid "    " and resid 22   and name HA  ))
 )
      5.000     5.000     0.000 peak  8017 weight  0.10000E+01 volume  0.97100E+00 ppm1      0.757 ppm2      4.909
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 45   and name HN  ))
  OR 
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8014 weight  0.10000E+01 volume  0.23700E+00 ppm1      0.760 ppm2      6.546
 ASSI (
   (( segid "    " and resid 30   and name HA  ))
 )(
   (( segid "    " and resid 31   and name HN  ))
 )
      5.000     5.000     0.000 peak  7943 weight  0.10000E+01 volume  0.10790E+01 ppm1      4.492 ppm2      8.397
 ASSI (
   (( segid "    " and resid 30   and name HA  ))
 )(
   (( segid "    " and resid 29   and name HB2 ))
  OR 
   (( segid "    " and resid 16   and name HG11))
 )
      5.000     5.000     0.000 peak  8030 weight  0.10000E+01 volume  0.38900E+00 ppm1      4.493 ppm2      1.331
 ASSI (
   (( segid "    " and resid 30   and name HA  ))
 )(
   (( segid "    " and resid 17   and name HN  ))
  OR 
   (( segid "    " and resid 14   and name HN  ))
 )
      6.000     6.000     0.000 peak  8022 weight  0.10000E+01 volume  0.19700E+00 ppm1      4.494 ppm2      8.246
 ASSI (
   (( segid "    " and resid 30   and name HA  ))
 )(
   (( segid "    " and resid 45   and name HB  ))
  OR 
   (( segid "    " and resid 32   and name HB  ))
  OR 
   (( segid "    " and resid 28   and name HB  ))
 )
      5.000     5.000     0.000 peak  8024 weight  0.10000E+01 volume  0.61700E+00 ppm1      4.497 ppm2      3.915
 ASSI (
   (( segid "    " and resid 30   and name HB1 ))
 )(
   (( segid "    " and resid 31   and name HN  ))
 )
      3.300     3.300     0.000 peak  8033 weight  0.10000E+01 volume  0.19880E+01 ppm1      1.843 ppm2      8.381
 ASSI (
   (( segid "    " and resid 31   and name HA  ))
 )(
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
  OR 
   (( segid "    " and resid 16   and name HG12))
  OR 
   (( segid "    " and resid 5    and name HB1 ))
 )
      5.000     5.000     0.000 peak  8040 weight  0.10000E+01 volume  0.35900E+00 ppm1      4.806 ppm2      1.104
 ASSI (
   (( segid "    " and resid 31   and name HA  ))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
  OR 
   (( segid "    " and resid 8    and name HB1 ))
 )
      6.000     6.000     0.000 peak  8039 weight  0.10000E+01 volume  0.12500E+00 ppm1      4.806 ppm2      1.244
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 13   and name HA  ))
 )
      6.000     6.000     0.000 peak  8066 weight  0.10000E+01 volume  0.18200E+00 ppm1      1.092 ppm2      3.132
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 12   and name HA  ))
 )
      5.000     5.000     0.000 peak  8065 weight  0.10000E+01 volume  0.44000E+00 ppm1      1.092 ppm2      4.617
 ASSI (
   (( segid "    " and resid 33   and name HA  ))
 )(
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 37   and name HE2 ))
  OR 
   (( segid "    " and resid 37   and name HE1 ))
  OR 
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
  OR 
   (( segid "    " and resid 10   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8072 weight  0.10000E+01 volume  0.22700E+00 ppm1      5.089 ppm2      6.695
 ASSI (
   (( segid "    " and resid 34   and name HD13))
  OR 
   (( segid "    " and resid 34   and name HD12))
  OR 
   (( segid "    " and resid 34   and name HD11))
 )(
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
  OR 
   (( segid "    " and resid 37   and name HE2 ))
  OR 
   (( segid "    " and resid 37   and name HE1 ))
  OR 
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
  OR 
   (( segid "    " and resid 10   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8103 weight  0.10000E+01 volume  0.14150E+01 ppm1      0.560 ppm2      6.698
 ASSI (
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )(
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 37   and name HE2 ))
  OR 
   (( segid "    " and resid 37   and name HE1 ))
  OR 
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
  OR 
   (( segid "    " and resid 10   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8106 weight  0.10000E+01 volume  0.54400E+00 ppm1      0.803 ppm2      6.706
 ASSI (
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )(
   (( segid "    " and resid 36   and name HA2 ))
  OR 
   (( segid "    " and resid 33   and name HB1 ))
  OR 
   (( segid "    " and resid 13   and name HD2 ))
 )
      6.000     6.000     0.000 peak  8111 weight  0.10000E+01 volume  0.20400E+00 ppm1      0.804 ppm2      3.266
 ASSI (
   (( segid "    " and resid 35   and name HG1 ))
 )(
   (( segid "    " and resid 34   and name HA  ))
 )
      5.000     5.000     0.000 peak  8123 weight  0.10000E+01 volume  0.82600E+00 ppm1      2.110 ppm2      4.388
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 62   and name HA  ))
 )
      3.300     3.300     0.000 peak  8143 weight  0.10000E+01 volume  0.16260E+01 ppm1      5.005 ppm2      3.929
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
  OR 
   (( segid "    " and resid 34   and name HD13))
  OR 
   (( segid "    " and resid 34   and name HD12))
  OR 
   (( segid "    " and resid 34   and name HD11))
 )
      5.000     5.000     0.000 peak  8147 weight  0.10000E+01 volume  0.50800E+00 ppm1      5.007 ppm2      0.547
 ASSI (
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )(
   (( segid "    " and resid 59   and name HB1 ))
  OR 
   (( segid "    " and resid 58   and name HA  ))
  OR 
   (( segid "    " and resid 35   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HA  ))
 )
      5.000     5.000     0.000 peak  7469 weight  0.10000E+01 volume  0.34300E+00 ppm1      6.686 ppm2      3.547
 ASSI (
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )(
   (( segid "    " and resid 60   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8153 weight  0.10000E+01 volume  0.43700E+00 ppm1      6.687 ppm2      3.006
 ASSI (
   (( segid "    " and resid 38   and name HB  ))
 )(
   (( segid "    " and resid 62   and name HN  ))
  OR 
   (( segid "    " and resid 40   and name HN  ))
  OR 
   (( segid "    " and resid 39   and name HN  ))
 )
      5.000     5.000     0.000 peak  8161 weight  0.10000E+01 volume  0.14520E+01 ppm1      1.715 ppm2      8.381
 ASSI (
   (( segid "    " and resid 38   and name HB  ))
 )(
   (( segid "    " and resid 63   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8163 weight  0.10000E+01 volume  0.37700E+00 ppm1      1.717 ppm2      1.019
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 113  and name HB  ))
  OR 
   (( segid "    " and resid 39   and name HB2 ))
  OR 
   (( segid "    " and resid 39   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5000 weight  0.10000E+01 volume  0.70300E+00 ppm1      0.514 ppm2      1.907
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 64   and name HN  ))
 )
      6.000     6.000     0.000 peak  8168 weight  0.10000E+01 volume  0.26800E+00 ppm1      0.514 ppm2      7.727
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 85   and name HA1 ))
  OR 
   (( segid "    " and resid 62   and name HA  ))
  OR 
   (( segid "    " and resid 40   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8177 weight  0.10000E+01 volume  0.27200E+00 ppm1      0.515 ppm2      3.926
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 113  and name HN  ))
  OR 
   (( segid "    " and resid 84   and name HN  ))
  OR 
   (( segid "    " and resid 37   and name HN  ))
 )
      6.000     6.000     0.000 peak  8181 weight  0.10000E+01 volume  0.28800E+00 ppm1      0.560 ppm2      8.149
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 113  and name HB  ))
  OR 
   (( segid "    " and resid 108  and name HB  ))
 )
      5.000     5.000     0.000 peak  8188 weight  0.10000E+01 volume  0.66400E+00 ppm1      0.561 ppm2      1.859
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 39   and name HD2 ))
  OR 
   (( segid "    " and resid 39   and name HD1 ))
  OR 
   (( segid "    " and resid 36   and name HA2 ))
  OR 
   (( segid "    " and resid 33   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8187 weight  0.10000E+01 volume  0.19300E+00 ppm1      0.561 ppm2      3.220
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 64   and name HA  ))
  OR 
   (( segid "    " and resid 61   and name HA  ))
  OR 
   (( segid "    " and resid 40   and name HA  ))
 )
      5.000     5.000     0.000 peak  8186 weight  0.10000E+01 volume  0.39400E+00 ppm1      0.561 ppm2      4.496
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 64   and name HN  ))
  OR 
   (( segid "    " and resid 63   and name HN  ))
 )
      6.000     6.000     0.000 peak  8182 weight  0.10000E+01 volume  0.24500E+00 ppm1      0.561 ppm2      7.779
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 39   and name HB2 ))
  OR 
   (( segid "    " and resid 39   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5304 weight  0.10000E+01 volume  0.65200E+00 ppm1      0.561 ppm2      1.951
 ASSI (
   (( segid "    " and resid 40   and name HB2 ))
 )(
   (( segid "    " and resid 61   and name HG12))
 )
      5.000     5.000     0.000 peak  5306 weight  0.10000E+01 volume  0.35400E+00 ppm1      3.456 ppm2      0.925
 ASSI (
   (( segid "    " and resid 40   and name HB2 ))
 )(
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      6.000     6.000     0.000 peak  5311 weight  0.10000E+01 volume  0.14900E+00 ppm1      3.457 ppm2      0.478
 ASSI (
   (( segid "    " and resid 42   and name HB1 ))
 )(
   (( segid "    " and resid 59   and name HA  ))
  OR 
   (( segid "    " and resid 39   and name HA  ))
 )
      5.000     5.000     0.000 peak  5322 weight  0.10000E+01 volume  0.78700E+00 ppm1      3.994 ppm2      4.632
 ASSI (
   (( segid "    " and resid 43   and name HB  ))
 )(
   (( segid "    " and resid 59   and name HA  ))
 )
      5.000     5.000     0.000 peak  8215 weight  0.10000E+01 volume  0.60600E+00 ppm1      4.107 ppm2      4.634
 ASSI (
   (( segid "    " and resid 43   and name HG23))
  OR 
   (( segid "    " and resid 43   and name HG22))
  OR 
   (( segid "    " and resid 43   and name HG21))
 )(
   (( segid "    " and resid 60   and name HN  ))
  OR 
   (( segid "    " and resid 45   and name HN  ))
 )
      5.000     5.000     0.000 peak  8218 weight  0.10000E+01 volume  0.42300E+00 ppm1      1.163 ppm2      6.510
 ASSI (
   (( segid "    " and resid 45   and name HA  ))
 )(
   (( segid "    " and resid 30   and name HA  ))
 )
      5.000     5.000     0.000 peak  4956 weight  0.10000E+01 volume  0.54200E+00 ppm1      5.200 ppm2      4.519
 ASSI (
   (( segid "    " and resid 45   and name HA  ))
 )(
   (( segid "    " and resid 46   and name HN  ))
 )
      3.300     3.300     0.000 peak  3520 weight  0.10000E+01 volume  0.16110E+01 ppm1      5.201 ppm2      8.485
 ASSI (
   (( segid "    " and resid 45   and name HB  ))
 )(
   (( segid "    " and resid 28   and name HG23))
  OR 
   (( segid "    " and resid 28   and name HG22))
  OR 
   (( segid "    " and resid 28   and name HG21))
 )
      3.300     3.300     0.000 peak  5327 weight  0.10000E+01 volume  0.21690E+01 ppm1      3.864 ppm2      1.150
 ASSI (
   (( segid "    " and resid 45   and name HB  ))
 )(
   (( segid "    " and resid 46   and name HN  ))
 )
      5.000     5.000     0.000 peak  8225 weight  0.10000E+01 volume  0.88900E+00 ppm1      3.866 ppm2      8.499
 ASSI (
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )(
   (( segid "    " and resid 44   and name HA  ))
 )
      6.000     6.000     0.000 peak  8236 weight  0.10000E+01 volume  0.12800E+00 ppm1      0.891 ppm2      3.029
 ASSI (
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )(
   (( segid "    " and resid 47   and name HN  ))
  OR 
   (( segid "    " and resid 46   and name HN  ))
 )
      5.000     5.000     0.000 peak  8231 weight  0.10000E+01 volume  0.64600E+00 ppm1      0.891 ppm2      8.491
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 54   and name HE3 ))
 )
      6.000     6.000     0.000 peak  5605 weight  0.10000E+01 volume  0.24100E+00 ppm1      4.871 ppm2      7.069
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
  OR 
   (( segid "    " and resid 13   and name HB2 ))
  OR 
   (( segid "    " and resid 6    and name HG2 ))
 )
      5.000     5.000     0.000 peak  8287 weight  0.10000E+01 volume  0.41800E+00 ppm1     -0.002 ppm2      1.526
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
  OR 
   (( segid "    " and resid 54   and name HZ3 ))
 )
      6.000     6.000     0.000 peak  8275 weight  0.10000E+01 volume  0.28300E+00 ppm1     -0.002 ppm2      6.674
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 48   and name HN  ))
  OR 
   (( segid "    " and resid 47   and name HN  ))
  OR 
   (( segid "    " and resid 46   and name HN  ))
 )
      5.000     5.000     0.000 peak  8269 weight  0.10000E+01 volume  0.36900E+00 ppm1     -0.002 ppm2      8.478
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 12   and name HA  ))
  OR 
   (( segid "    " and resid 4    and name HA  ))
 )
      6.000     6.000     0.000 peak  8281 weight  0.10000E+01 volume  0.12800E+00 ppm1     -0.003 ppm2      4.648
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 56   and name HA  ))
  OR 
   (( segid "    " and resid 54   and name HA  ))
 )
      6.000     6.000     0.000 peak  8278 weight  0.10000E+01 volume  0.21500E+00 ppm1     -0.003 ppm2      5.002
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 54   and name HD1 ))
  OR 
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8270 weight  0.10000E+01 volume  0.12800E+00 ppm1     -0.003 ppm2      7.303
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 55   and name HN  ))
 )
      6.000     6.000     0.000 peak  8268 weight  0.10000E+01 volume  0.11000E+00 ppm1     -0.003 ppm2      9.604
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 59   and name HD2 ))
  OR 
   (( segid "    " and resid 59   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8292 weight  0.10000E+01 volume  0.12700E+00 ppm1     -0.148 ppm2      7.752
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 54   and name HE3 ))
 )
      6.000     6.000     0.000 peak  8293 weight  0.10000E+01 volume  0.17200E+00 ppm1     -0.149 ppm2      7.062
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 57   and name HB2 ))
  OR 
   (( segid "    " and resid 57   and name HB1 ))
  OR 
   (( segid "    " and resid 31   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8302 weight  0.10000E+01 volume  0.13200E+00 ppm1     -0.150 ppm2      2.663
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 59   and name HB2 ))
  OR 
   (( segid "    " and resid 54   and name HB2 ))
 )
      6.000     6.000     0.000 peak  8301 weight  0.10000E+01 volume  0.10800E+00 ppm1     -0.150 ppm2      2.919
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 56   and name HA  ))
  OR 
   (( segid "    " and resid 54   and name HA  ))
 )
      6.000     6.000     0.000 peak  8299 weight  0.10000E+01 volume  0.20600E+00 ppm1     -0.150 ppm2      5.002
 ASSI (
   (( segid "    " and resid 46   and name HG  ))
 )(
   (( segid "    " and resid 54   and name HB1 ))
  OR 
   (( segid "    " and resid 13   and name HA  ))
  OR 
   (( segid "    " and resid 2    and name HB1 ))
 )
      6.000     6.000     0.000 peak  8265 weight  0.10000E+01 volume  0.17800E+00 ppm1      1.406 ppm2      3.084
 ASSI (
   (( segid "    " and resid 46   and name HG  ))
 )(
   (( segid "    " and resid 54   and name HE3 ))
 )
      6.000     6.000     0.000 peak  8258 weight  0.10000E+01 volume  0.25900E+00 ppm1      1.407 ppm2      7.069
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 54   and name HZ3 ))
 )
      6.000     6.000     0.000 peak  8305 weight  0.10000E+01 volume  0.20600E+00 ppm1      5.578 ppm2      6.722
 ASSI (
   (( segid "    " and resid 47   and name HB  ))
 )(
   (( segid "    " and resid 55   and name HB  ))
  OR 
   (( segid "    " and resid 53   and name HG2 ))
 )
      5.000     5.000     0.000 peak  5338 weight  0.10000E+01 volume  0.89000E+00 ppm1      3.785 ppm2      2.063
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 54   and name HB2 ))
  OR 
   (( segid "    " and resid 49   and name HB2 ))
 )
      6.000     6.000     0.000 peak  4976 weight  0.10000E+01 volume  0.23200E+00 ppm1      3.972 ppm2      2.899
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 49   and name HA  ))
  OR 
   (( segid "    " and resid 3    and name HA1 ))
 )
      5.000     5.000     0.000 peak  8316 weight  0.10000E+01 volume  0.81700E+00 ppm1      3.974 ppm2      4.814
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 54   and name HA  ))
 )
      5.000     5.000     0.000 peak  4867 weight  0.10000E+01 volume  0.11290E+01 ppm1      3.974 ppm2      4.985
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 54   and name HE3 ))
 )
      6.000     6.000     0.000 peak  8315 weight  0.10000E+01 volume  0.22100E+00 ppm1      3.974 ppm2      7.077
 ASSI (
   (( segid "    " and resid 48   and name HB2 ))
 )(
   (( segid "    " and resid 48   and name HA  ))
  OR 
   (( segid "    " and resid 27   and name HB  ))
 )
      5.000     5.000     0.000 peak  7942 weight  0.10000E+01 volume  0.62100E+00 ppm1      1.319 ppm2      4.012
 ASSI (
   (( segid "    " and resid 49   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HG22))
  OR 
   (( segid "    " and resid 47   and name HG21))
  OR 
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )
      5.000     5.000     0.000 peak  4979 weight  0.10000E+01 volume  0.14780E+01 ppm1      4.802 ppm2      1.012
 ASSI (
   (( segid "    " and resid 50   and name HB1 ))
 )(
   (( segid "    " and resid 52   and name HA2 ))
  OR 
   (( segid "    " and resid 49   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8346 weight  0.10000E+01 volume  0.32200E+00 ppm1      3.922 ppm2      3.404
 ASSI (
   (( segid "    " and resid 50   and name HB2 ))
 )(
   (( segid "    " and resid 52   and name HA2 ))
  OR 
   (( segid "    " and resid 49   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8347 weight  0.10000E+01 volume  0.35100E+00 ppm1      3.796 ppm2      3.405
 ASSI (
   (( segid "    " and resid 51   and name HB1 ))
 )(
   (( segid "    " and resid 53   and name HG1 ))
 )
      5.000     5.000     0.000 peak  8356 weight  0.10000E+01 volume  0.48100E+00 ppm1      2.786 ppm2      2.162
 ASSI (
   (( segid "    " and resid 52   and name HA1 ))
 )(
   (( segid "    " and resid 2    and name HA  ))
 )
      6.000     6.000     0.000 peak  8357 weight  0.10000E+01 volume  0.23700E+00 ppm1      3.683 ppm2      4.560
 ASSI (
   (( segid "    " and resid 52   and name HA1 ))
 )(
   (( segid "    " and resid 51   and name HB2 ))
 )
      5.000     5.000     0.000 peak  4981 weight  0.10000E+01 volume  0.35600E+00 ppm1      3.684 ppm2      2.542
 ASSI (
   (( segid "    " and resid 52   and name HA2 ))
 )(
   (( segid "    " and resid 2    and name HA  ))
 )
      5.000     5.000     0.000 peak  8358 weight  0.10000E+01 volume  0.31300E+00 ppm1      3.419 ppm2      4.558
 ASSI (
   (( segid "    " and resid 52   and name HA2 ))
 )(
   (( segid "    " and resid 51   and name HB2 ))
 )
      5.000     5.000     0.000 peak  4983 weight  0.10000E+01 volume  0.34600E+00 ppm1      3.420 ppm2      2.544
 ASSI (
   (( segid "    " and resid 53   and name HA  ))
 )(
   (( segid "    " and resid 53   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8362 weight  0.10000E+01 volume  0.40100E+00 ppm1      4.487 ppm2      2.097
 ASSI (
   (( segid "    " and resid 54   and name HZ2 ))
 )(
   (( segid "    " and resid 23   and name HB2 ))
 )
      5.000     5.000     0.000 peak  3371 weight  0.10000E+01 volume  0.41100E+00 ppm1      6.941 ppm2      2.751
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )(
   (( segid "    " and resid 56   and name HA  ))
  OR 
   (( segid "    " and resid 54   and name HA  ))
 )
      5.000     5.000     0.000 peak  8375 weight  0.10000E+01 volume  0.79900E+00 ppm1      0.958 ppm2      4.982
 ASSI (
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
  OR 
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )
      5.000     5.000     0.000 peak  7740 weight  0.10000E+01 volume  0.37400E+00 ppm1      6.812 ppm2      0.032
 ASSI (
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )(
   (( segid "    " and resid 10   and name HE2 ))
  OR 
   (( segid "    " and resid 10   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7488 weight  0.10000E+01 volume  0.37200E+00 ppm1      6.649 ppm2      6.273
 ASSI (
   (( segid "    " and resid 58   and name HA  ))
 )(
   (( segid "    " and resid 10   and name HZ  ))
 )
      6.000     6.000     0.000 peak  8431 weight  0.10000E+01 volume  0.26500E+00 ppm1      3.570 ppm2      7.000
 ASSI (
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
 )(
   (( segid "    " and resid 59   and name HZ  ))
  OR 
   (( segid "    " and resid 10   and name HE2 ))
  OR 
   (( segid "    " and resid 10   and name HE1 ))
 )
      5.000     5.000     0.000 peak  8443 weight  0.10000E+01 volume  0.34500E+00 ppm1      0.524 ppm2      6.303
 ASSI (
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
 )(
   (( segid "    " and resid 10   and name HZ  ))
 )
      5.000     5.000     0.000 peak  8440 weight  0.10000E+01 volume  0.47600E+00 ppm1      0.526 ppm2      7.006
 ASSI (
   (( segid "    " and resid 59   and name HD2 ))
  OR 
   (( segid "    " and resid 59   and name HD1 ))
 )(
   (( segid "    " and resid 10   and name HB2 ))
 )
      6.000     6.000     0.000 peak  8445 weight  0.10000E+01 volume  0.18000E+00 ppm1      7.734 ppm2      2.131
 ASSI (
   (( segid "    " and resid 61   and name HA  ))
 )(
   (( segid "    " and resid 62   and name HN  ))
 )
      3.300     3.300     0.000 peak  4998 weight  0.10000E+01 volume  0.15070E+01 ppm1      4.467 ppm2      8.387
 ASSI (
   (( segid "    " and resid 61   and name HA  ))
 )(
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  4986 weight  0.10000E+01 volume  0.93300E+00 ppm1      4.470 ppm2      0.524
 ASSI (
   (( segid "    " and resid 61   and name HB  ))
 )(
   (( segid "    " and resid 62   and name HN  ))
  OR 
   (( segid "    " and resid 40   and name HN  ))
  OR 
   (( segid "    " and resid 39   and name HN  ))
 )
      5.000     5.000     0.000 peak  8451 weight  0.10000E+01 volume  0.71700E+00 ppm1      1.717 ppm2      8.382
 ASSI (
   (( segid "    " and resid 61   and name HB  ))
 )(
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  8457 weight  0.10000E+01 volume  0.49100E+00 ppm1      1.719 ppm2      0.549
 ASSI (
   (( segid "    " and resid 61   and name HG11))
 )(
   (( segid "    " and resid 61   and name HD13))
  OR 
   (( segid "    " and resid 61   and name HD12))
  OR 
   (( segid "    " and resid 61   and name HD11))
  OR 
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )
      2.700     2.700     0.000 peak  8461 weight  0.10000E+01 volume  0.34560E+01 ppm1      1.229 ppm2      0.702
 ASSI (
   (( segid "    " and resid 61   and name HG11))
 )(
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      3.300     3.300     0.000 peak  8462 weight  0.10000E+01 volume  0.17290E+01 ppm1      1.230 ppm2      0.545
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )(
   (( segid "    " and resid 62   and name HN  ))
  OR 
   (( segid "    " and resid 40   and name HN  ))
  OR 
   (( segid "    " and resid 39   and name HN  ))
 )
      3.300     3.300     0.000 peak  8469 weight  0.10000E+01 volume  0.17350E+01 ppm1      0.715 ppm2      8.385
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )(
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 62   and name HD1 ))
  OR 
   (( segid "    " and resid 60   and name HN  ))
 )
      6.000     6.000     0.000 peak  8471 weight  0.10000E+01 volume  0.24900E+00 ppm1      0.716 ppm2      6.550
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )(
   (( segid "    " and resid 37   and name HE2 ))
  OR 
   (( segid "    " and resid 37   and name HE1 ))
  OR 
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8470 weight  0.10000E+01 volume  0.52300E+00 ppm1      0.716 ppm2      6.694
 ASSI (
   (( segid "    " and resid 62   and name HA  ))
 )(
   (( segid "    " and resid 84   and name HD1 ))
  OR 
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
  OR 
   (( segid "    " and resid 37   and name HE2 ))
  OR 
   (( segid "    " and resid 37   and name HE1 ))
  OR 
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8152 weight  0.10000E+01 volume  0.60800E+00 ppm1      3.922 ppm2      6.695
 ASSI (
   (( segid "    " and resid 62   and name HA  ))
 )(
   (( segid "    " and resid 62   and name HN  ))
 )
      5.000     5.000     0.000 peak  8476 weight  0.10000E+01 volume  0.40000E+00 ppm1      3.920 ppm2      8.383
 ASSI (
   (( segid "    " and resid 62   and name HB1 ))
 )(
   (( segid "    " and resid 62   and name HN  ))
 )
      3.300     3.300     0.000 peak  8480 weight  0.10000E+01 volume  0.19300E+01 ppm1      2.767 ppm2      8.385
 ASSI (
   (( segid "    " and resid 62   and name HB2 ))
 )(
   (( segid "    " and resid 62   and name HN  ))
 )
      5.000     5.000     0.000 peak  6416 weight  0.10000E+01 volume  0.12170E+01 ppm1      2.536 ppm2      8.384
 ASSI (
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )(
   (( segid "    " and resid 62   and name HA  ))
 )
      5.000     5.000     0.000 peak  8498 weight  0.10000E+01 volume  0.48400E+00 ppm1      6.688 ppm2      3.937
 ASSI (
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )(
   (( segid "    " and resid 81   and name HA  ))
  OR 
   (( segid "    " and resid 64   and name HA  ))
  OR 
   (( segid "    " and resid 61   and name HA  ))
 )
      5.000     5.000     0.000 peak  8497 weight  0.10000E+01 volume  0.42200E+00 ppm1      6.688 ppm2      4.491
 ASSI (
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )(
   (( segid "    " and resid 84   and name HN  ))
  OR 
   (( segid "    " and resid 37   and name HN  ))
 )
      5.000     5.000     0.000 peak  8492 weight  0.10000E+01 volume  0.42400E+00 ppm1      6.689 ppm2      8.146
 ASSI (
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )(
   (( segid "    " and resid 35   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HA  ))
 )
      5.000     5.000     0.000 peak  8499 weight  0.10000E+01 volume  0.66700E+00 ppm1      6.690 ppm2      3.547
 ASSI (
   (( segid "    " and resid 63   and name HB1 ))
 )(
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )
      5.000     5.000     0.000 peak  5380 weight  0.10000E+01 volume  0.65300E+00 ppm1      1.419 ppm2      0.440
 ASSI (
   (( segid "    " and resid 63   and name HB2 ))
 )(
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )
      5.000     5.000     0.000 peak  5379 weight  0.10000E+01 volume  0.50600E+00 ppm1      1.245 ppm2      0.441
 ASSI (
   (( segid "    " and resid 63   and name HD1 ))
 )(
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
  OR 
   (( segid "    " and resid 61   and name HD13))
  OR 
   (( segid "    " and resid 61   and name HD12))
  OR 
   (( segid "    " and resid 61   and name HD11))
  OR 
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )
      6.000     6.000     0.000 peak  8532 weight  0.10000E+01 volume  0.22600E+00 ppm1      1.465 ppm2      0.718
 ASSI (
   (( segid "    " and resid 63   and name HE1 ))
 )(
   (( segid "    " and resid 63   and name HD1 ))
 )
      2.700     2.700     0.000 peak  5580 weight  0.10000E+01 volume  0.40190E+01 ppm1      2.717 ppm2      1.482
 ASSI (
   (( segid "    " and resid 63   and name HE2 ))
 )(
   (( segid "    " and resid 63   and name HD1 ))
 )
      2.700     2.700     0.000 peak  5582 weight  0.10000E+01 volume  0.30500E+01 ppm1      2.662 ppm2      1.482
 ASSI (
   (( segid "    " and resid 63   and name HE2 ))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      5.000     5.000     0.000 peak  8538 weight  0.10000E+01 volume  0.10030E+01 ppm1      2.664 ppm2      4.630
 ASSI (
   (( segid "    " and resid 63   and name HG1 ))
 )(
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  5637 weight  0.10000E+01 volume  0.13450E+01 ppm1      1.149 ppm2      0.541
 ASSI (
   (( segid "    " and resid 64   and name HD2 ))
  OR 
   (( segid "    " and resid 64   and name HD1 ))
 )(
   (( segid "    " and resid 62   and name HA  ))
 )
      5.000     5.000     0.000 peak  5650 weight  0.10000E+01 volume  0.63900E+00 ppm1      3.100 ppm2      3.898
 ASSI (
   (( segid "    " and resid 64   and name HD2 ))
  OR 
   (( segid "    " and resid 64   and name HD1 ))
 )(
   (( segid "    " and resid 83   and name HA  ))
  OR 
   (( segid "    " and resid 66   and name HA  ))
 )
      5.000     5.000     0.000 peak  8554 weight  0.10000E+01 volume  0.34700E+00 ppm1      3.098 ppm2      4.255
 ASSI (
   (( segid "    " and resid 65   and name HA  ))
 )(
   (( segid "    " and resid 66   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5002 weight  0.10000E+01 volume  0.97300E+00 ppm1      4.100 ppm2      1.768
 ASSI (
   (( segid "    " and resid 65   and name HA  ))
 )(
   (( segid "    " and resid 113  and name HB  ))
  OR 
   (( segid "    " and resid 66   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8560 weight  0.10000E+01 volume  0.60200E+00 ppm1      4.102 ppm2      1.906
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 68   and name HG1 ))
 )
      5.000     5.000     0.000 peak  8601 weight  0.10000E+01 volume  0.31600E+00 ppm1      4.262 ppm2      1.521
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
  OR 
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      5.000     5.000     0.000 peak  8597 weight  0.10000E+01 volume  0.35500E+00 ppm1      4.265 ppm2      0.499
 ASSI (
   (( segid "    " and resid 67   and name HD2 ))
 )(
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      6.000     6.000     0.000 peak  7586 weight  0.10000E+01 volume  0.29600E+00 ppm1      7.173 ppm2      0.669
 ASSI (
   (( segid "    " and resid 68   and name HA  ))
 )(
   (( segid "    " and resid 66   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8606 weight  0.10000E+01 volume  0.28200E+00 ppm1      4.308 ppm2      1.891
 ASSI (
   (( segid "    " and resid 68   and name HA  ))
 )(
   (( segid "    " and resid 68   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8610 weight  0.10000E+01 volume  0.70100E+00 ppm1      4.309 ppm2      1.042
 ASSI (
   (( segid "    " and resid 68   and name HB1 ))
 )(
   (( segid "    " and resid 68   and name HG2 ))
 )
      5.000     5.000     0.000 peak  5386 weight  0.10000E+01 volume  0.95200E+00 ppm1      1.653 ppm2      1.050
 ASSI (
   (( segid "    " and resid 68   and name HB2 ))
 )(
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )
      5.000     5.000     0.000 peak  5388 weight  0.10000E+01 volume  0.42300E+00 ppm1      1.316 ppm2      0.517
 ASSI (
   (( segid "    " and resid 68   and name HB2 ))
 )(
   (( segid "    " and resid 68   and name HG2 ))
 )
      5.000     5.000     0.000 peak  5387 weight  0.10000E+01 volume  0.98300E+00 ppm1      1.317 ppm2      1.039
 ASSI (
   (( segid "    " and resid 68   and name HG1 ))
 )(
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      5.000     5.000     0.000 peak  8630 weight  0.10000E+01 volume  0.12020E+01 ppm1      1.497 ppm2      0.642
 ASSI (
   (( segid "    " and resid 68   and name HG1 ))
 )(
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
  OR 
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      5.000     5.000     0.000 peak  5655 weight  0.10000E+01 volume  0.14990E+01 ppm1      1.496 ppm2      0.503
 ASSI (
   (( segid "    " and resid 69   and name HA1 ))
 )(
   (( segid "    " and resid 70   and name HB2 ))
  OR 
   (( segid "    " and resid 70   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5035 weight  0.10000E+01 volume  0.36100E+00 ppm1      4.225 ppm2      1.779
 ASSI (
   (( segid "    " and resid 69   and name HA1 ))
 )(
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )
      5.000     5.000     0.000 peak  5036 weight  0.10000E+01 volume  0.35100E+00 ppm1      4.231 ppm2      0.545
 ASSI (
   (( segid "    " and resid 69   and name HA2 ))
 )(
   (( segid "    " and resid 118  and name HG2 ))
  OR 
   (( segid "    " and resid 70   and name HB2 ))
  OR 
   (( segid "    " and resid 70   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8649 weight  0.10000E+01 volume  0.29200E+00 ppm1      3.729 ppm2      1.782
 ASSI (
   (( segid "    " and resid 70   and name HA  ))
 )(
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 71   and name HG  ))
 )
      5.000     5.000     0.000 peak  5037 weight  0.10000E+01 volume  0.94300E+00 ppm1      4.122 ppm2      1.004
 ASSI (
   (( segid "    " and resid 70   and name HB1 ))
 )(
   (( segid "    " and resid 70   and name HN  ))
 )
      2.700     2.700     0.000 peak  8657 weight  0.10000E+01 volume  0.38320E+01 ppm1      1.816 ppm2      7.730
 ASSI (
   (( segid "    " and resid 70   and name HB2 ))
 )(
   (( segid "    " and resid 70   and name HN  ))
 )
      2.700     2.700     0.000 peak  8658 weight  0.10000E+01 volume  0.37260E+01 ppm1      1.753 ppm2      7.729
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 75   and name HA  ))
 )
      6.000     6.000     0.000 peak  8692 weight  0.10000E+01 volume  0.23100E+00 ppm1      0.588 ppm2      4.732
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HZ  ))
  OR 
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
  OR 
   (( segid "    " and resid 73   and name HD22))
 )
      5.000     5.000     0.000 peak  8691 weight  0.10000E+01 volume  0.35600E+00 ppm1      0.588 ppm2      6.698
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 90   and name HN  ))
  OR 
   (( segid "    " and resid 76   and name HN  ))
 )
      5.000     5.000     0.000 peak  8686 weight  0.10000E+01 volume  0.42400E+00 ppm1      0.588 ppm2      8.372
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 121  and name HB2 ))
  OR 
   (( segid "    " and resid 75   and name HB2 ))
  OR 
   (( segid "    " and resid 70   and name HB2 ))
  OR 
   (( segid "    " and resid 70   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8714 weight  0.10000E+01 volume  0.21700E+00 ppm1      0.475 ppm2      1.764
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 119  and name HG  ))
  OR 
   (( segid "    " and resid 98   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8716 weight  0.10000E+01 volume  0.52400E+00 ppm1      0.476 ppm2      1.387
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 74   and name HA2 ))
  OR 
   (( segid "    " and resid 70   and name HA  ))
 )
      5.000     5.000     0.000 peak  5674 weight  0.10000E+01 volume  0.39600E+00 ppm1      0.476 ppm2      4.129
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 118  and name HA  ))
  OR 
   (( segid "    " and resid 98   and name HA  ))
 )
      5.000     5.000     0.000 peak  5675 weight  0.10000E+01 volume  0.55600E+00 ppm1      0.476 ppm2      4.582
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 122  and name HB1 ))
  OR 
   (( segid "    " and resid 90   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5673 weight  0.10000E+01 volume  0.42600E+00 ppm1      0.477 ppm2      2.773
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 93   and name HN  ))
  OR 
   (( segid "    " and resid 73   and name HN  ))
 )
      5.000     5.000     0.000 peak  8703 weight  0.10000E+01 volume  0.31500E+00 ppm1      0.477 ppm2      8.898
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 122  and name HA  ))
  OR 
   (( segid "    " and resid 92   and name HA  ))
 )
      6.000     6.000     0.000 peak  8709 weight  0.10000E+01 volume  0.14700E+00 ppm1      0.478 ppm2      5.276
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
  OR 
   (( segid "    " and resid 90   and name HZ  ))
  OR 
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
  OR 
   (( segid "    " and resid 73   and name HD22))
 )
      5.000     5.000     0.000 peak  8708 weight  0.10000E+01 volume  0.34600E+00 ppm1      0.478 ppm2      6.699
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 122  and name HN  ))
  OR 
   (( segid "    " and resid 75   and name HN  ))
 )
      5.000     5.000     0.000 peak  6925 weight  0.10000E+01 volume  0.13550E+01 ppm1      0.476 ppm2      8.805
 ASSI (
   (( segid "    " and resid 72   and name HA  ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      2.700     2.700     0.000 peak  6102 weight  0.10000E+01 volume  0.39800E+01 ppm1      3.817 ppm2      8.854
 ASSI (
   (( segid "    " and resid 72   and name HA  ))
 )(
   (( segid "    " and resid 75   and name HB2 ))
  OR 
   (( segid "    " and resid 70   and name HB2 ))
  OR 
   (( segid "    " and resid 70   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8723 weight  0.10000E+01 volume  0.19600E+00 ppm1      3.817 ppm2      1.810
 ASSI (
   (( segid "    " and resid 72   and name HA  ))
 )(
   (( segid "    " and resid 120  and name HD2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 70   and name HG2 ))
 )
      6.000     6.000     0.000 peak  8722 weight  0.10000E+01 volume  0.15800E+00 ppm1      3.817 ppm2      2.048
 ASSI (
   (( segid "    " and resid 73   and name HA  ))
 )(
   (( segid "    " and resid 72   and name HG1 ))
  OR 
   (( segid "    " and resid 72   and name HB2 ))
  OR 
   (( segid "    " and resid 71   and name HB1 ))
 )
      6.000     6.000     0.000 peak  5039 weight  0.10000E+01 volume  0.27600E+00 ppm1      3.785 ppm2      1.536
 ASSI (
   (( segid "    " and resid 73   and name HB1 ))
 )(
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )
      6.000     6.000     0.000 peak  8754 weight  0.10000E+01 volume  0.25000E+00 ppm1      2.119 ppm2      7.141
 ASSI (
   (( segid "    " and resid 73   and name HB2 ))
 )(
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )
      5.000     5.000     0.000 peak  8755 weight  0.10000E+01 volume  0.31600E+00 ppm1      0.959 ppm2      7.134
 ASSI (
   (( segid "    " and resid 74   and name HA2 ))
 )(
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 73   and name HB2 ))
  OR 
   (( segid "    " and resid 71   and name HG  ))
 )
      5.000     5.000     0.000 peak  5044 weight  0.10000E+01 volume  0.37400E+00 ppm1      4.102 ppm2      1.011
 ASSI (
   (( segid "    " and resid 75   and name HA  ))
 )(
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 71   and name HG  ))
 )
      6.000     6.000     0.000 peak  8787 weight  0.10000E+01 volume  0.15100E+00 ppm1      4.727 ppm2      1.011
 ASSI (
   (( segid "    " and resid 76   and name HB  ))
 )(
   (( segid "    " and resid 76   and name HA  ))
 )
      5.000     5.000     0.000 peak  8803 weight  0.10000E+01 volume  0.14330E+01 ppm1      2.001 ppm2      4.314
 ASSI (
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 76   and name HA  ))
  OR 
   (( segid "    " and resid 74   and name HA1 ))
  OR 
   (( segid "    " and resid 71   and name HA  ))
 )
      2.700     2.700     0.000 peak  8812 weight  0.10000E+01 volume  0.33390E+01 ppm1      0.982 ppm2      4.314
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )(
   (( segid "    " and resid 77   and name HA  ))
 )
      6.000     6.000     0.000 peak  8820 weight  0.10000E+01 volume  0.28300E+00 ppm1      0.489 ppm2      4.437
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )(
   (( segid "    " and resid 76   and name HA  ))
  OR 
   (( segid "    " and resid 71   and name HA  ))
 )
      3.300     3.300     0.000 peak  8821 weight  0.10000E+01 volume  0.20860E+01 ppm1      0.490 ppm2      4.319
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )(
   (( segid "    " and resid 119  and name HN  ))
  OR 
   (( segid "    " and resid 89   and name HN  ))
  OR 
   (( segid "    " and resid 79   and name HN  ))
 )
      5.000     5.000     0.000 peak  8813 weight  0.10000E+01 volume  0.41800E+00 ppm1      0.490 ppm2      7.819
 ASSI (
   (( segid "    " and resid 77   and name HA  ))
 )(
   (( segid "    " and resid 78   and name HN  ))
 )
      2.700     2.700     0.000 peak  5965 weight  0.10000E+01 volume  0.38390E+01 ppm1      4.412 ppm2      8.493
 ASSI (
   (( segid "    " and resid 78   and name HA  ))
 )(
   (( segid "    " and resid 88   and name HA  ))
  OR 
   (( segid "    " and resid 82   and name HA  ))
 )
      5.000     5.000     0.000 peak  8843 weight  0.10000E+01 volume  0.35700E+00 ppm1      4.042 ppm2      4.704
 ASSI (
   (( segid "    " and resid 78   and name HA  ))
 )(
   (( segid "    " and resid 89   and name HB1 ))
  OR 
   (( segid "    " and resid 87   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8844 weight  0.10000E+01 volume  0.84800E+00 ppm1      4.043 ppm2      1.904
 ASSI (
   (( segid "    " and resid 78   and name HB  ))
 )(
   (( segid "    " and resid 81   and name HA  ))
  OR 
   (( segid "    " and resid 80   and name HA  ))
  OR 
   (( segid "    " and resid 77   and name HA  ))
 )
      5.000     5.000     0.000 peak  5407 weight  0.10000E+01 volume  0.65000E+00 ppm1      1.786 ppm2      4.434
 ASSI (
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )(
   (( segid "    " and resid 68   and name HD2 ))
 )
      6.000     6.000     0.000 peak  8872 weight  0.10000E+01 volume  0.29900E+00 ppm1      0.656 ppm2      2.465
 ASSI (
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )(
   (( segid "    " and resid 68   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8871 weight  0.10000E+01 volume  0.26100E+00 ppm1      0.656 ppm2      3.207
 ASSI (
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )(
   (( segid "    " and resid 115  and name HE1 ))
 )
      5.000     5.000     0.000 peak  8862 weight  0.10000E+01 volume  0.32100E+00 ppm1      0.657 ppm2     10.496
 ASSI (
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )(
   (( segid "    " and resid 115  and name HZ2 ))
  OR 
   (( segid "    " and resid 67   and name HD2 ))
 )
      3.300     3.300     0.000 peak  8865 weight  0.10000E+01 volume  0.21140E+01 ppm1      0.657 ppm2      7.185
 ASSI (
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )(
   (( segid "    " and resid 80   and name HB  ))
  OR 
   (( segid "    " and resid 76   and name HA  ))
  OR 
   (( segid "    " and resid 68   and name HA  ))
  OR 
   (( segid "    " and resid 67   and name HA  ))
  OR 
   (( segid "    " and resid 66   and name HA  ))
 )
      5.000     5.000     0.000 peak  8869 weight  0.10000E+01 volume  0.96100E+00 ppm1      0.658 ppm2      4.299
 ASSI (
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )(
   (( segid "    " and resid 81   and name HA  ))
  OR 
   (( segid "    " and resid 80   and name HA  ))
  OR 
   (( segid "    " and resid 77   and name HA  ))
 )
      5.000     5.000     0.000 peak  8868 weight  0.10000E+01 volume  0.90300E+00 ppm1      0.658 ppm2      4.446
 ASSI (
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 88   and name HG12))
 )
      6.000     6.000     0.000 peak  8857 weight  0.10000E+01 volume  0.18000E+00 ppm1      1.380 ppm2      0.242
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      6.000     6.000     0.000 peak  5052 weight  0.10000E+01 volume  0.13500E+00 ppm1      4.221 ppm2      0.694
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 79   and name HG1 ))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      5.000     5.000     0.000 peak  8880 weight  0.10000E+01 volume  0.11370E+01 ppm1      4.221 ppm2      1.389
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 79   and name HE2 ))
  OR 
   (( segid "    " and resid 79   and name HE1 ))
 )
      6.000     6.000     0.000 peak  8876 weight  0.10000E+01 volume  0.12700E+00 ppm1      4.222 ppm2      2.837
 ASSI (
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )(
   (( segid "    " and resid 79   and name HE2 ))
  OR 
   (( segid "    " and resid 79   and name HE1 ))
 )
      5.000     5.000     0.000 peak  8884 weight  0.10000E+01 volume  0.72200E+00 ppm1      1.894 ppm2      2.829
 ASSI (
   (( segid "    " and resid 79   and name HD2 ))
  OR 
   (( segid "    " and resid 79   and name HD1 ))
 )(
   (( segid "    " and resid 77   and name HG1 ))
 )
      3.300     3.300     0.000 peak  8903 weight  0.10000E+01 volume  0.16480E+01 ppm1      1.544 ppm2      2.090
 ASSI (
   (( segid "    " and resid 79   and name HD2 ))
  OR 
   (( segid "    " and resid 79   and name HD1 ))
 )(
   (( segid "    " and resid 88   and name HA  ))
 )
      6.000     6.000     0.000 peak  8897 weight  0.10000E+01 volume  0.19000E+00 ppm1      1.545 ppm2      4.719
 ASSI (
   (( segid "    " and resid 79   and name HD2 ))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      6.000     6.000     0.000 peak  8898 weight  0.10000E+01 volume  0.27000E+00 ppm1      1.546 ppm2      4.627
 ASSI (
   (( segid "    " and resid 79   and name HE1 ))
 )(
   (( segid "    " and resid 79   and name HG2 ))
 )
      3.300     3.300     0.000 peak  8914 weight  0.10000E+01 volume  0.15710E+01 ppm1      2.852 ppm2      1.304
 ASSI (
   (( segid "    " and resid 79   and name HE1 ))
 )(
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8905 weight  0.10000E+01 volume  0.12050E+01 ppm1      2.856 ppm2      1.863
 ASSI (
   (( segid "    " and resid 79   and name HE1 ))
 )(
   (( segid "    " and resid 77   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8904 weight  0.10000E+01 volume  0.11890E+01 ppm1      2.856 ppm2      1.950
 ASSI (
   (( segid "    " and resid 79   and name HE2 ))
 )(
   (( segid "    " and resid 81   and name HA  ))
  OR 
   (( segid "    " and resid 80   and name HA  ))
  OR 
   (( segid "    " and resid 77   and name HA  ))
 )
      6.000     6.000     0.000 peak  5694 weight  0.10000E+01 volume  0.15000E+00 ppm1      2.783 ppm2      4.472
 ASSI (
   (( segid "    " and resid 79   and name HE2 ))
 )(
   (( segid "    " and resid 77   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8907 weight  0.10000E+01 volume  0.10010E+01 ppm1      2.789 ppm2      1.949
 ASSI (
   (( segid "    " and resid 79   and name HE2 ))
 )(
   (( segid "    " and resid 79   and name HG2 ))
 )
      3.300     3.300     0.000 peak  8913 weight  0.10000E+01 volume  0.19260E+01 ppm1      2.790 ppm2      1.304
 ASSI (
   (( segid "    " and resid 79   and name HE2 ))
 )(
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8906 weight  0.10000E+01 volume  0.99100E+00 ppm1      2.790 ppm2      1.864
 ASSI (
   (( segid "    " and resid 79   and name HG1 ))
 )(
   (( segid "    " and resid 80   and name HG23))
  OR 
   (( segid "    " and resid 80   and name HG22))
  OR 
   (( segid "    " and resid 80   and name HG21))
 )
      5.000     5.000     0.000 peak  8895 weight  0.10000E+01 volume  0.96500E+00 ppm1      1.398 ppm2      1.154
 ASSI (
   (( segid "    " and resid 79   and name HG2 ))
 )(
   (( segid "    " and resid 80   and name HG23))
  OR 
   (( segid "    " and resid 80   and name HG22))
  OR 
   (( segid "    " and resid 80   and name HG21))
 )
      3.300     3.300     0.000 peak  8896 weight  0.10000E+01 volume  0.15770E+01 ppm1      1.324 ppm2      1.155
 ASSI (
   (( segid "    " and resid 80   and name HG23))
  OR 
   (( segid "    " and resid 80   and name HG22))
  OR 
   (( segid "    " and resid 80   and name HG21))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      5.000     5.000     0.000 peak  8923 weight  0.10000E+01 volume  0.78200E+00 ppm1      1.114 ppm2      4.630
 ASSI (
   (( segid "    " and resid 81   and name HB1 ))
 )(
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
  OR 
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      6.000     6.000     0.000 peak  9283 weight  0.10000E+01 volume  0.27600E+00 ppm1      3.005 ppm2      0.688
 ASSI (
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )(
   (( segid "    " and resid 115  and name HH2 ))
 )
      6.000     6.000     0.000 peak  8951 weight  0.10000E+01 volume  0.25600E+00 ppm1      0.969 ppm2      6.785
 ASSI (
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )(
   (( segid "    " and resid 64   and name HE  ))
 )
      6.000     6.000     0.000 peak  8866 weight  0.10000E+01 volume  0.26400E+00 ppm1      0.970 ppm2      7.035
 ASSI (
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )(
   (( segid "    " and resid 83   and name HA  ))
  OR 
   (( segid "    " and resid 79   and name HA  ))
  OR 
   (( segid "    " and resid 67   and name HA  ))
  OR 
   (( segid "    " and resid 66   and name HA  ))
 )
      3.300     3.300     0.000 peak  8572 weight  0.10000E+01 volume  0.21780E+01 ppm1      0.968 ppm2      4.253
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 85   and name HN  ))
  OR 
   (( segid "    " and resid 78   and name HN  ))
  OR 
   (( segid "    " and resid 65   and name HN  ))
 )
      6.000     6.000     0.000 peak  8959 weight  0.10000E+01 volume  0.13100E+00 ppm1      0.873 ppm2      8.535
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 78   and name HA  ))
  OR 
   (( segid "    " and resid 65   and name HA  ))
 )
      5.000     5.000     0.000 peak  8966 weight  0.10000E+01 volume  0.31100E+00 ppm1      0.874 ppm2      4.063
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 106  and name HN  ))
  OR 
   (( segid "    " and resid 86   and name HN  ))
  OR 
   (( segid "    " and resid 66   and name HN  ))
 )
      6.000     6.000     0.000 peak  8960 weight  0.10000E+01 volume  0.16400E+00 ppm1      0.874 ppm2      8.341
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 65   and name HB2 ))
 )
      6.000     6.000     0.000 peak  8971 weight  0.10000E+01 volume  0.20400E+00 ppm1      0.876 ppm2      2.325
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 84   and name HB1 ))
  OR 
   (( segid "    " and resid 81   and name HB2 ))
  OR 
   (( segid "    " and resid 62   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5057 weight  0.10000E+01 volume  0.33400E+00 ppm1      4.240 ppm2      2.769
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 84   and name HB2 ))
  OR 
   (( segid "    " and resid 62   and name HB2 ))
 )
      6.000     6.000     0.000 peak  5058 weight  0.10000E+01 volume  0.23000E+00 ppm1      4.242 ppm2      2.513
 ASSI (
   (( segid "    " and resid 83   and name HB2 ))
  OR 
   (( segid "    " and resid 83   and name HB1 ))
 )(
   (( segid "    " and resid 84   and name HB1 ))
  OR 
   (( segid "    " and resid 81   and name HB2 ))
  OR 
   (( segid "    " and resid 62   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5416 weight  0.10000E+01 volume  0.44800E+00 ppm1      3.732 ppm2      2.770
 ASSI (
   (( segid "    " and resid 83   and name HB2 ))
  OR 
   (( segid "    " and resid 83   and name HB1 ))
 )(
   (( segid "    " and resid 64   and name HB2 ))
  OR 
   (( segid "    " and resid 63   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5418 weight  0.10000E+01 volume  0.31800E+00 ppm1      3.734 ppm2      1.434
 ASSI (
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )(
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )
      5.000     5.000     0.000 peak  9208 weight  0.10000E+01 volume  0.70100E+00 ppm1      6.707 ppm2      0.688
 ASSI (
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )(
   (( segid "    " and resid 108  and name HN  ))
  OR 
   (( segid "    " and resid 106  and name HN  ))
  OR 
   (( segid "    " and resid 86   and name HN  ))
  OR 
   (( segid "    " and resid 39   and name HN  ))
 )
      5.000     5.000     0.000 peak  7235 weight  0.10000E+01 volume  0.30900E+00 ppm1      7.345 ppm2      8.365
 ASSI (
   (( segid "    " and resid 87   and name HA  ))
 )(
   (( segid "    " and resid 106  and name HN  ))
  OR 
   (( segid "    " and resid 86   and name HN  ))
 )
      5.000     5.000     0.000 peak  9007 weight  0.10000E+01 volume  0.13100E+01 ppm1      5.551 ppm2      8.373
 ASSI (
   (( segid "    " and resid 87   and name HA  ))
 )(
   (( segid "    " and resid 105  and name HG1 ))
 )
      5.000     5.000     0.000 peak  5068 weight  0.10000E+01 volume  0.70200E+00 ppm1      5.555 ppm2      1.390
 ASSI (
   (( segid "    " and resid 87   and name HA  ))
 )(
   (( segid "    " and resid 106  and name HB2 ))
  OR 
   (( segid "    " and resid 105  and name HB2 ))
  OR 
   (( segid "    " and resid 105  and name HB1 ))
  OR 
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 82   and name HG  ))
  OR 
   (( segid "    " and resid 82   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5067 weight  0.10000E+01 volume  0.77800E+00 ppm1      5.555 ppm2      1.662
 ASSI (
   (( segid "    " and resid 87   and name HG1 ))
 )(
   (( segid "    " and resid 103  and name HB  ))
  OR 
   (( segid "    " and resid 86   and name HB2 ))
  OR 
   (( segid "    " and resid 86   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9028 weight  0.10000E+01 volume  0.13270E+01 ppm1      2.215 ppm2      3.998
 ASSI (
   (( segid "    " and resid 87   and name HG2 ))
 )(
   (( segid "    " and resid 103  and name HB  ))
  OR 
   (( segid "    " and resid 86   and name HB2 ))
  OR 
   (( segid "    " and resid 86   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9029 weight  0.10000E+01 volume  0.89800E+00 ppm1      2.154 ppm2      3.997
 ASSI (
   (( segid "    " and resid 88   and name HB  ))
 )(
   (( segid "    " and resid 88   and name HG12))
 )
      6.000     6.000     0.000 peak  5428 weight  0.10000E+01 volume  0.28900E+00 ppm1      1.159 ppm2      0.259
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 115  and name HE3 ))
 )
      6.000     6.000     0.000 peak  9063 weight  0.10000E+01 volume  0.16700E+00 ppm1     -0.620 ppm2      7.338
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 106  and name HN  ))
  OR 
   (( segid "    " and resid 90   and name HN  ))
  OR 
   (( segid "    " and resid 86   and name HN  ))
  OR 
   (( segid "    " and resid 76   and name HN  ))
  OR 
   (( segid "    " and resid 66   and name HN  ))
 )
      6.000     6.000     0.000 peak  9060 weight  0.10000E+01 volume  0.96000E-01 ppm1     -0.621 ppm2      8.347
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 78   and name HA  ))
 )
      6.000     6.000     0.000 peak  9073 weight  0.10000E+01 volume  0.10800E+00 ppm1     -0.622 ppm2      4.048
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 118  and name HA  ))
  OR 
   (( segid "    " and resid 104  and name HA  ))
 )
      6.000     6.000     0.000 peak  9072 weight  0.10000E+01 volume  0.10300E+00 ppm1     -0.622 ppm2      4.588
 ASSI (
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )(
   (( segid "    " and resid 105  and name HG2 ))
  OR 
   (( segid "    " and resid 105  and name HG1 ))
  OR 
   (( segid "    " and resid 79   and name HG1 ))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      5.000     5.000     0.000 peak  5389 weight  0.10000E+01 volume  0.45600E+00 ppm1      0.483 ppm2      1.382
 ASSI (
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )(
   (( segid "    " and resid 89   and name HB2 ))
  OR 
   (( segid "    " and resid 82   and name HG  ))
  OR 
   (( segid "    " and resid 82   and name HB2 ))
  OR 
   (( segid "    " and resid 68   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9055 weight  0.10000E+01 volume  0.53400E+00 ppm1      0.482 ppm2      1.672
 ASSI (
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )(
   (( segid "    " and resid 89   and name HB1 ))
  OR 
   (( segid "    " and resid 87   and name HB1 ))
  OR 
   (( segid "    " and resid 82   and name HB1 ))
  OR 
   (( segid "    " and resid 77   and name HG2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
 )
      5.000     5.000     0.000 peak  9053 weight  0.10000E+01 volume  0.42900E+00 ppm1      0.482 ppm2      1.969
 ASSI (
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )(
   (( segid "    " and resid 85   and name HN  ))
  OR 
   (( segid "    " and resid 78   and name HN  ))
  OR 
   (( segid "    " and resid 65   and name HN  ))
 )
      6.000     6.000     0.000 peak  9047 weight  0.10000E+01 volume  0.25400E+00 ppm1      0.482 ppm2      8.524
 ASSI (
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )(
   (( segid "    " and resid 80   and name HB  ))
  OR 
   (( segid "    " and resid 76   and name HA  ))
  OR 
   (( segid "    " and resid 68   and name HA  ))
  OR 
   (( segid "    " and resid 67   and name HA  ))
 )
      5.000     5.000     0.000 peak  9052 weight  0.10000E+01 volume  0.34300E+00 ppm1      0.483 ppm2      4.303
 ASSI (
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )(
   (( segid "    " and resid 119  and name HA  ))
  OR 
   (( segid "    " and resid 117  and name HB1 ))
  OR 
   (( segid "    " and resid 101  and name HB2 ))
 )
      6.000     6.000     0.000 peak  9112 weight  0.10000E+01 volume  0.15900E+00 ppm1      6.673 ppm2      3.369
 ASSI (
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )(
   (( segid "    " and resid 118  and name HA  ))
  OR 
   (( segid "    " and resid 104  and name HA  ))
  OR 
   (( segid "    " and resid 102  and name HB  ))
 )
      6.000     6.000     0.000 peak  9106 weight  0.10000E+01 volume  0.15000E+00 ppm1      6.675 ppm2      4.583
 ASSI (
   (( segid "    " and resid 92   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 71   and name HG  ))
 )
      6.000     6.000     0.000 peak  5081 weight  0.10000E+01 volume  0.21800E+00 ppm1      5.255 ppm2      1.028
 ASSI (
   (( segid "    " and resid 92   and name HA  ))
 )(
   (( segid "    " and resid 122  and name HN  ))
  OR 
   (( segid "    " and resid 75   and name HN  ))
 )
      5.000     5.000     0.000 peak  4077 weight  0.10000E+01 volume  0.85300E+00 ppm1      5.250 ppm2      8.778
 ASSI (
   (( segid "    " and resid 92   and name HB2 ))
 )(
   (( segid "    " and resid 96   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5439 weight  0.10000E+01 volume  0.89100E+00 ppm1      2.419 ppm2      3.223
 ASSI (
   (( segid "    " and resid 92   and name HB2 ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
  OR 
   (( segid "    " and resid 73   and name HD22))
 )
      5.000     5.000     0.000 peak  9126 weight  0.10000E+01 volume  0.81500E+00 ppm1      2.422 ppm2      6.702
 ASSI (
   (( segid "    " and resid 94   and name HG2 ))
  OR 
   (( segid "    " and resid 94   and name HG1 ))
 )(
   (( segid "    " and resid 95   and name HA1 ))
  OR 
   (( segid "    " and resid 94   and name HA  ))
 )
      5.000     5.000     0.000 peak  9167 weight  0.10000E+01 volume  0.93900E+00 ppm1      2.312 ppm2      4.163
 ASSI (
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )(
   (( segid "    " and resid 123  and name HA  ))
  OR 
   (( segid "    " and resid 97   and name HA  ))
 )
      6.000     6.000     0.000 peak  9201 weight  0.10000E+01 volume  0.10700E+00 ppm1      6.703 ppm2      4.816
 ASSI (
   (( segid "    " and resid 97   and name HA  ))
 )(
   (( segid "    " and resid 124  and name HB  ))
  OR 
   (( segid "    " and resid 98   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9218 weight  0.10000E+01 volume  0.85300E+00 ppm1      4.839 ppm2      1.530
 ASSI (
   (( segid "    " and resid 97   and name HA  ))
 )(
   (( segid "    " and resid 98   and name HB2 ))
 )
      5.000     5.000     0.000 peak  9219 weight  0.10000E+01 volume  0.72200E+00 ppm1      4.841 ppm2      1.398
 ASSI (
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )(
   (( segid "    " and resid 125  and name HD23))
  OR 
   (( segid "    " and resid 125  and name HD22))
  OR 
   (( segid "    " and resid 125  and name HD21))
  OR 
   (( segid "    " and resid 125  and name HD13))
  OR 
   (( segid "    " and resid 125  and name HD12))
  OR 
   (( segid "    " and resid 125  and name HD11))
  OR 
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
  OR 
   (( segid "    " and resid 98   and name HD13))
 )
      5.000     5.000     0.000 peak  9230 weight  0.10000E+01 volume  0.12590E+01 ppm1      7.003 ppm2      0.642
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 122  and name HA  ))
  OR 
   (( segid "    " and resid 92   and name HA  ))
 )
      5.000     5.000     0.000 peak  9242 weight  0.10000E+01 volume  0.43500E+00 ppm1      0.636 ppm2      5.274
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 90   and name HZ  ))
  OR 
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9241 weight  0.10000E+01 volume  0.35200E+00 ppm1      0.636 ppm2      6.707
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 121  and name HB1 ))
  OR 
   (( segid "    " and resid 89   and name HB1 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
 )
      5.000     5.000     0.000 peak  9245 weight  0.10000E+01 volume  0.70200E+00 ppm1      0.637 ppm2      1.953
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 120  and name HD2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
 )
      5.000     5.000     0.000 peak  5719 weight  0.10000E+01 volume  0.69400E+00 ppm1      0.637 ppm2      2.051
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG1 ))
  OR 
   (( segid "    " and resid 120  and name HD1 ))
 )
      5.000     5.000     0.000 peak  5720 weight  0.10000E+01 volume  0.62200E+00 ppm1      0.637 ppm2      2.187
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
  OR 
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      3.300     3.300     0.000 peak  9240 weight  0.10000E+01 volume  0.17350E+01 ppm1      0.637 ppm2      7.024
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 120  and name HD2 ))
 )
      5.000     5.000     0.000 peak  5724 weight  0.10000E+01 volume  0.97000E+00 ppm1      0.397 ppm2      2.000
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG1 ))
  OR 
   (( segid "    " and resid 120  and name HD1 ))
 )
      6.000     6.000     0.000 peak  9253 weight  0.10000E+01 volume  0.29100E+00 ppm1      0.399 ppm2      2.188
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 90   and name HB2 ))
 )
      6.000     6.000     0.000 peak  5725 weight  0.10000E+01 volume  0.24800E+00 ppm1      0.399 ppm2      2.559
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 102  and name HB  ))
  OR 
   (( segid "    " and resid 101  and name HA  ))
  OR 
   (( segid "    " and resid 100  and name HA1 ))
  OR 
   (( segid "    " and resid 91   and name HA  ))
 )
      5.000     5.000     0.000 peak  9251 weight  0.10000E+01 volume  0.86000E+00 ppm1      0.399 ppm2      4.491
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 102  and name HB  ))
  OR 
   (( segid "    " and resid 98   and name HA  ))
 )
      5.000     5.000     0.000 peak  9250 weight  0.10000E+01 volume  0.12780E+01 ppm1      0.399 ppm2      4.581
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 102  and name HN  ))
  OR 
   (( segid "    " and resid 101  and name HN  ))
 )
      5.000     5.000     0.000 peak  9246 weight  0.10000E+01 volume  0.41800E+00 ppm1      0.399 ppm2      8.165
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 122  and name HB1 ))
  OR 
   (( segid "    " and resid 90   and name HB1 ))
 )
      6.000     6.000     0.000 peak  5726 weight  0.10000E+01 volume  0.24000E+00 ppm1      0.400 ppm2      2.797
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 100  and name HA2 ))
 )
      6.000     6.000     0.000 peak  5727 weight  0.10000E+01 volume  0.25900E+00 ppm1      0.400 ppm2      3.595
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 101  and name HB1 ))
  OR 
   (( segid "    " and resid 91   and name HB2 ))
  OR 
   (( segid "    " and resid 91   and name HB1 ))
 )
      6.000     6.000     0.000 peak  9252 weight  0.10000E+01 volume  0.21600E+00 ppm1      0.400 ppm2      3.803
 ASSI (
   (( segid "    " and resid 98   and name HG  ))
 )(
   (( segid "    " and resid 122  and name HA  ))
  OR 
   (( segid "    " and resid 92   and name HA  ))
 )
      6.000     6.000     0.000 peak  9236 weight  0.10000E+01 volume  0.17600E+00 ppm1      1.089 ppm2      5.280
 ASSI (
   (( segid "    " and resid 98   and name HG  ))
 )(
   (( segid "    " and resid 102  and name HB  ))
  OR 
   (( segid "    " and resid 98   and name HA  ))
 )
      3.300     3.300     0.000 peak  5718 weight  0.10000E+01 volume  0.16190E+01 ppm1      1.090 ppm2      4.563
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HG11))
  OR 
   (( segid "    " and resid 98   and name HB2 ))
 )
      5.000     5.000     0.000 peak  9255 weight  0.10000E+01 volume  0.10170E+01 ppm1      4.215 ppm2      1.343
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 100  and name HN  ))
 )
      2.700     2.700     0.000 peak  7124 weight  0.10000E+01 volume  0.42090E+01 ppm1      4.211 ppm2      8.430
 ASSI (
   (( segid "    " and resid 99   and name HB  ))
 )(
   (( segid "    " and resid 123  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG1 ))
  OR 
   (( segid "    " and resid 120  and name HD1 ))
 )
      5.000     5.000     0.000 peak  5453 weight  0.10000E+01 volume  0.41800E+00 ppm1      1.714 ppm2      2.193
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 92   and name HB1 ))
 )
      6.000     6.000     0.000 peak  9282 weight  0.10000E+01 volume  0.22900E+00 ppm1      0.701 ppm2      2.986
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 122  and name HA  ))
 )
      6.000     6.000     0.000 peak  9279 weight  0.10000E+01 volume  0.13300E+00 ppm1      0.701 ppm2      5.273
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 123  and name HG1 ))
 )
      5.000     5.000     0.000 peak  9285 weight  0.10000E+01 volume  0.59000E+00 ppm1      0.703 ppm2      2.328
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 121  and name HN  ))
  OR 
   (( segid "    " and resid 98   and name HN  ))
 )
      5.000     5.000     0.000 peak  9276 weight  0.10000E+01 volume  0.31100E+00 ppm1      0.702 ppm2      7.971
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 121  and name HE22))
 )
      6.000     6.000     0.000 peak  9273 weight  0.10000E+01 volume  0.13800E+00 ppm1      0.804 ppm2      6.642
 ASSI (
   (( segid "    " and resid 100  and name HA2 ))
 )(
   (( segid "    " and resid 120  and name HD2 ))
 )
      6.000     6.000     0.000 peak  5089 weight  0.10000E+01 volume  0.26900E+00 ppm1      3.590 ppm2      2.002
 ASSI (
   (( segid "    " and resid 101  and name HB1 ))
 )(
   (( segid "    " and resid 101  and name HA  ))
  OR 
   (( segid "    " and resid 100  and name HA1 ))
 )
      3.300     3.300     0.000 peak  9293 weight  0.10000E+01 volume  0.21210E+01 ppm1      3.779 ppm2      4.467
 ASSI (
   (( segid "    " and resid 101  and name HB1 ))
 )(
   (( segid "    " and resid 117  and name HB2 ))
 )
      5.000     5.000     0.000 peak  5454 weight  0.10000E+01 volume  0.52600E+00 ppm1      3.781 ppm2      3.152
 ASSI (
   (( segid "    " and resid 101  and name HB2 ))
 )(
   (( segid "    " and resid 117  and name HB2 ))
 )
      5.000     5.000     0.000 peak  5455 weight  0.10000E+01 volume  0.33500E+00 ppm1      3.408 ppm2      3.158
 ASSI (
   (( segid "    " and resid 101  and name HB2 ))
 )(
   (( segid "    " and resid 101  and name HA  ))
 )
      3.300     3.300     0.000 peak  9294 weight  0.10000E+01 volume  0.15490E+01 ppm1      3.408 ppm2      4.468
 ASSI (
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 100  and name HA2 ))
 )
      6.000     6.000     0.000 peak  5092 weight  0.10000E+01 volume  0.16000E-01 ppm1      4.279 ppm2      3.545
 ASSI (
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9299 weight  0.10000E+01 volume  0.74700E+00 ppm1      4.280 ppm2      7.026
 ASSI (
   (( segid "    " and resid 102  and name HG23))
  OR 
   (( segid "    " and resid 102  and name HG22))
  OR 
   (( segid "    " and resid 102  and name HG21))
 )(
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )
      3.300     3.300     0.000 peak  5736 weight  0.10000E+01 volume  0.21740E+01 ppm1      1.322 ppm2      0.417
 ASSI (
   (( segid "    " and resid 102  and name HG23))
  OR 
   (( segid "    " and resid 102  and name HG22))
  OR 
   (( segid "    " and resid 102  and name HG21))
 )(
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )
      5.000     5.000     0.000 peak  5737 weight  0.10000E+01 volume  0.13540E+01 ppm1      1.323 ppm2      0.642
 ASSI (
   (( segid "    " and resid 103  and name HA  ))
 )(
   (( segid "    " and resid 120  and name HD1 ))
  OR 
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HG1 ))
  OR 
   (( segid "    " and resid 87   and name HG2 ))
 )
      6.000     6.000     0.000 peak  5101 weight  0.10000E+01 volume  0.27200E+00 ppm1      5.056 ppm2      2.146
 ASSI (
   (( segid "    " and resid 103  and name HB  ))
 )(
   (( segid "    " and resid 87   and name HG2 ))
  OR 
   (( segid "    " and resid 87   and name HG1 ))
 )
      5.000     5.000     0.000 peak  5456 weight  0.10000E+01 volume  0.14680E+01 ppm1      3.982 ppm2      2.190
 ASSI (
   (( segid "    " and resid 103  and name HB  ))
 )(
   (( segid "    " and resid 102  and name HA  ))
 )
      6.000     6.000     0.000 peak  9315 weight  0.10000E+01 volume  0.22500E+00 ppm1      3.984 ppm2      4.254
 ASSI (
   (( segid "    " and resid 103  and name HB  ))
 )(
   (( segid "    " and resid 104  and name HA  ))
  OR 
   (( segid "    " and resid 102  and name HB  ))
 )
      6.000     6.000     0.000 peak  9314 weight  0.10000E+01 volume  0.16400E+00 ppm1      3.984 ppm2      4.537
 ASSI (
   (( segid "    " and resid 103  and name HB  ))
 )(
   (( segid "    " and resid 89   and name HA  ))
 )
      5.000     5.000     0.000 peak  9312 weight  0.10000E+01 volume  0.32500E+00 ppm1      3.984 ppm2      4.790
 ASSI (
   (( segid "    " and resid 105  and name HA  ))
 )(
   (( segid "    " and resid 86   and name HA  ))
 )
      5.000     5.000     0.000 peak  9327 weight  0.10000E+01 volume  0.63800E+00 ppm1      5.614 ppm2      4.394
 ASSI (
   (( segid "    " and resid 105  and name HB1 ))
 )(
   (( segid "    " and resid 104  and name HA  ))
 )
      5.000     5.000     0.000 peak  9338 weight  0.10000E+01 volume  0.43400E+00 ppm1      1.691 ppm2      4.601
 ASSI (
   (( segid "    " and resid 105  and name HG2 ))
 )(
   (( segid "    " and resid 106  and name HN  ))
  OR 
   (( segid "    " and resid 86   and name HN  ))
 )
      5.000     5.000     0.000 peak  9346 weight  0.10000E+01 volume  0.78400E+00 ppm1      1.332 ppm2      8.382
 ASSI (
   (( segid "    " and resid 107  and name HA  ))
 )(
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )
      5.000     5.000     0.000 peak  4869 weight  0.10000E+01 volume  0.52600E+00 ppm1      4.926 ppm2      0.731
 ASSI (
   (( segid "    " and resid 108  and name HA  ))
 )(
   (( segid "    " and resid 115  and name HE3 ))
  OR 
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9369 weight  0.10000E+01 volume  0.30500E+00 ppm1      3.872 ppm2      7.348
 ASSI (
   (( segid "    " and resid 108  and name HB  ))
 )(
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
  OR 
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  9379 weight  0.10000E+01 volume  0.36500E+00 ppm1      1.856 ppm2      0.545
 ASSI (
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )(
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )
      3.300     3.300     0.000 peak  8999 weight  0.10000E+01 volume  0.19420E+01 ppm1      0.695 ppm2      7.346
 ASSI (
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )(
   (( segid "    " and resid 84   and name HA  ))
 )
      5.000     5.000     0.000 peak  9387 weight  0.10000E+01 volume  0.48800E+00 ppm1      0.694 ppm2      3.643
 ASSI (
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      6.000     6.000     0.000 peak  9380 weight  0.10000E+01 volume  0.20300E+00 ppm1      0.694 ppm2      8.899
 ASSI (
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )(
   (( segid "    " and resid 114  and name HA2 ))
 )
      5.000     5.000     0.000 peak  9386 weight  0.10000E+01 volume  0.55800E+00 ppm1      0.695 ppm2      3.744
 ASSI (
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )(
   (( segid "    " and resid 112  and name HA1 ))
 )
      5.000     5.000     0.000 peak  9384 weight  0.10000E+01 volume  0.42400E+00 ppm1      0.695 ppm2      4.014
 ASSI (
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )(
   (( segid "    " and resid 109  and name HA  ))
 )
      3.300     3.300     0.000 peak  5746 weight  0.10000E+01 volume  0.15050E+01 ppm1      0.788 ppm2      4.441
 ASSI (
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )(
   (( segid "    " and resid 107  and name HA  ))
 )
      6.000     6.000     0.000 peak  9395 weight  0.10000E+01 volume  0.27600E+00 ppm1      0.788 ppm2      4.957
 ASSI (
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )(
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )
      6.000     6.000     0.000 peak  9393 weight  0.10000E+01 volume  0.21200E+00 ppm1      0.788 ppm2      7.353
 ASSI (
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      6.000     6.000     0.000 peak  9390 weight  0.10000E+01 volume  0.15500E+00 ppm1      0.788 ppm2      8.888
 ASSI (
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )(
   (( segid "    " and resid 114  and name HA2 ))
 )
      6.000     6.000     0.000 peak  9399 weight  0.10000E+01 volume  0.17800E+00 ppm1      0.789 ppm2      3.740
 ASSI (
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )(
   (( segid "    " and resid 111  and name HA  ))
 )
      5.000     5.000     0.000 peak  9396 weight  0.10000E+01 volume  0.59100E+00 ppm1      0.789 ppm2      4.350
 ASSI (
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )(
   (( segid "    " and resid 116  and name HB2 ))
  OR 
   (( segid "    " and resid 114  and name HA2 ))
 )
      6.000     6.000     0.000 peak  9419 weight  0.10000E+01 volume  0.28000E+00 ppm1      2.142 ppm2      3.730
 ASSI (
   (( segid "    " and resid 110  and name HB1 ))
 )(
   (( segid "    " and resid 111  and name HG2 ))
  OR 
   (( segid "    " and resid 111  and name HG1 ))
  OR 
   (( segid "    " and resid 109  and name HB2 ))
 )
      5.000     5.000     0.000 peak  5466 weight  0.10000E+01 volume  0.60200E+00 ppm1      2.769 ppm2      1.544
 ASSI (
   (( segid "    " and resid 110  and name HB2 ))
 )(
   (( segid "    " and resid 111  and name HG2 ))
  OR 
   (( segid "    " and resid 111  and name HG1 ))
  OR 
   (( segid "    " and resid 109  and name HB2 ))
 )
      5.000     5.000     0.000 peak  9429 weight  0.10000E+01 volume  0.44800E+00 ppm1      2.607 ppm2      1.545
 ASSI (
   (( segid "    " and resid 113  and name HA  ))
 )(
   (( segid "    " and resid 109  and name HN  ))
 )
      5.000     5.000     0.000 peak  5114 weight  0.10000E+01 volume  0.89200E+00 ppm1      5.148 ppm2      8.086
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )
      3.300     3.300     0.000 peak  5758 weight  0.10000E+01 volume  0.24070E+01 ppm1      0.418 ppm2      0.823
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 65   and name HB2 ))
  OR 
   (( segid "    " and resid 65   and name HB1 ))
 )
      6.000     6.000     0.000 peak  5761 weight  0.10000E+01 volume  0.24900E+00 ppm1      0.418 ppm2      2.333
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 84   and name HB2 ))
 )
      6.000     6.000     0.000 peak  5762 weight  0.10000E+01 volume  0.18700E+00 ppm1      0.418 ppm2      2.464
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 112  and name HA2 ))
  OR 
   (( segid "    " and resid 112  and name HA1 ))
  OR 
   (( segid "    " and resid 62   and name HA  ))
 )
      5.000     5.000     0.000 peak  5763 weight  0.10000E+01 volume  0.77500E+00 ppm1      0.418 ppm2      3.970
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 65   and name HA  ))
  OR 
   (( segid "    " and resid 63   and name HA  ))
 )
      3.300     3.300     0.000 peak  5764 weight  0.10000E+01 volume  0.24300E+01 ppm1      0.418 ppm2      4.114
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 111  and name HA  ))
 )
      5.000     5.000     0.000 peak  9475 weight  0.10000E+01 volume  0.43600E+00 ppm1      0.418 ppm2      4.350
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 64   and name HA  ))
 )
      5.000     5.000     0.000 peak  9474 weight  0.10000E+01 volume  0.44400E+00 ppm1      0.418 ppm2      4.531
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9472 weight  0.10000E+01 volume  0.32700E+00 ppm1      0.418 ppm2      6.730
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
  OR 
   (( segid "    " and resid 61   and name HD13))
  OR 
   (( segid "    " and resid 61   and name HD12))
  OR 
   (( segid "    " and resid 61   and name HD11))
 )
      3.300     3.300     0.000 peak  9481 weight  0.10000E+01 volume  0.16990E+01 ppm1      0.419 ppm2      0.687
 ASSI (
   (( segid "    " and resid 115  and name HB1 ))
 )(
   (( segid "    " and resid 118  and name HA  ))
 )
      6.000     6.000     0.000 peak  9493 weight  0.10000E+01 volume  0.23000E+00 ppm1      3.511 ppm2      4.606
 ASSI (
   (( segid "    " and resid 115  and name HB1 ))
 )(
   (( segid "    " and resid 118  and name HD1 ))
  OR 
   (( segid "    " and resid 116  and name HB1 ))
  OR 
   (( segid "    " and resid 114  and name HA1 ))
  OR 
   (( segid "    " and resid 106  and name HA  ))
  OR 
   (( segid "    " and resid 104  and name HB1 ))
 )
      6.000     6.000     0.000 peak  9495 weight  0.10000E+01 volume  0.23600E+00 ppm1      3.516 ppm2      3.881
 ASSI (
   (( segid "    " and resid 115  and name HB2 ))
 )(
   (( segid "    " and resid 118  and name HA  ))
  OR 
   (( segid "    " and resid 82   and name HA  ))
 )
      6.000     6.000     0.000 peak  9494 weight  0.10000E+01 volume  0.22500E+00 ppm1      2.781 ppm2      4.613
 ASSI (
   (( segid "    " and resid 115  and name HB2 ))
 )(
   (( segid "    " and resid 118  and name HD1 ))
  OR 
   (( segid "    " and resid 116  and name HB1 ))
  OR 
   (( segid "    " and resid 114  and name HA1 ))
  OR 
   (( segid "    " and resid 108  and name HA  ))
  OR 
   (( segid "    " and resid 106  and name HA  ))
  OR 
   (( segid "    " and resid 104  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9496 weight  0.10000E+01 volume  0.39400E+00 ppm1      2.785 ppm2      3.878
 ASSI (
   (( segid "    " and resid 115  and name HH2 ))
 )(
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )
      5.000     5.000     0.000 peak  9506 weight  0.10000E+01 volume  0.39700E+00 ppm1      6.766 ppm2      0.499
 ASSI (
   (( segid "    " and resid 116  and name HA  ))
 )(
   (( segid "    " and resid 118  and name HB1 ))
  OR 
   (( segid "    " and resid 107  and name HG2 ))
  OR 
   (( segid "    " and resid 107  and name HG1 ))
  OR 
   (( segid "    " and resid 65   and name HB2 ))
 )
      6.000     6.000     0.000 peak  9366 weight  0.10000E+01 volume  0.27800E+00 ppm1      3.963 ppm2      2.264
 ASSI (
   (( segid "    " and resid 118  and name HD1 ))
 )(
   (( segid "    " and resid 119  and name HA  ))
  OR 
   (( segid "    " and resid 117  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9541 weight  0.10000E+01 volume  0.58500E+00 ppm1      3.862 ppm2      3.365
 ASSI (
   (( segid "    " and resid 118  and name HD2 ))
 )(
   (( segid "    " and resid 119  and name HA  ))
  OR 
   (( segid "    " and resid 117  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9542 weight  0.10000E+01 volume  0.60500E+00 ppm1      3.766 ppm2      3.366
 ASSI (
   (( segid "    " and resid 119  and name HA  ))
 )(
   (( segid "    " and resid 98   and name HB1 ))
  OR 
   (( segid "    " and resid 72   and name HB2 ))
  OR 
   (( segid "    " and resid 71   and name HB1 ))
  OR 
   (( segid "    " and resid 68   and name HG1 ))
 )
      5.000     5.000     0.000 peak  5139 weight  0.10000E+01 volume  0.36900E+00 ppm1      3.351 ppm2      1.504
 ASSI (
   (( segid "    " and resid 119  and name HA  ))
 )(
   (( segid "    " and resid 90   and name HZ  ))
  OR 
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )
      6.000     6.000     0.000 peak  9549 weight  0.10000E+01 volume  0.28800E+00 ppm1      3.351 ppm2      6.710
 ASSI (
   (( segid "    " and resid 119  and name HB1 ))
 )(
   (( segid "    " and resid 118  and name HA  ))
 )
      6.000     6.000     0.000 peak  9555 weight  0.10000E+01 volume  0.28500E+00 ppm1      1.322 ppm2      4.580
 ASSI (
   (( segid "    " and resid 119  and name HB1 ))
 )(
   (( segid "    " and resid 120  and name HD2 ))
  OR 
   (( segid "    " and resid 118  and name HG1 ))
  OR 
   (( segid "    " and resid 118  and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
 )
      5.000     5.000     0.000 peak  5475 weight  0.10000E+01 volume  0.55300E+00 ppm1      1.323 ppm2      2.049
 ASSI (
   (( segid "    " and resid 119  and name HB1 ))
 )(
   (( segid "    " and resid 120  and name HD1 ))
  OR 
   (( segid "    " and resid 118  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9559 weight  0.10000E+01 volume  0.31100E+00 ppm1      1.324 ppm2      2.215
 ASSI (
   (( segid "    " and resid 119  and name HB2 ))
 )(
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 120  and name HD1 ))
  OR 
   (( segid "    " and resid 118  and name HB1 ))
 )
      6.000     6.000     0.000 peak  9560 weight  0.10000E+01 volume  0.28800E+00 ppm1      1.210 ppm2      2.213
 ASSI (
   (( segid "    " and resid 119  and name HB2 ))
 )(
   (( segid "    " and resid 118  and name HA  ))
  OR 
   (( segid "    " and resid 98   and name HA  ))
 )
      6.000     6.000     0.000 peak  9556 weight  0.10000E+01 volume  0.19300E+00 ppm1      1.210 ppm2      4.579
 ASSI (
   (( segid "    " and resid 119  and name HB2 ))
 )(
   (( segid "    " and resid 120  and name HD2 ))
  OR 
   (( segid "    " and resid 118  and name HG1 ))
  OR 
   (( segid "    " and resid 118  and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
 )
      5.000     5.000     0.000 peak  5476 weight  0.10000E+01 volume  0.58100E+00 ppm1      1.211 ppm2      2.049
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9586 weight  0.10000E+01 volume  0.35000E+00 ppm1      0.554 ppm2      7.021
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 72   and name HN  ))
 )
      5.000     5.000     0.000 peak  9580 weight  0.10000E+01 volume  0.41200E+00 ppm1      0.554 ppm2      8.524
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      5.000     5.000     0.000 peak  5766 weight  0.10000E+01 volume  0.61900E+00 ppm1      0.555 ppm2     -0.604
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 68   and name HD2 ))
 )
      6.000     6.000     0.000 peak  9589 weight  0.10000E+01 volume  0.15500E+00 ppm1      0.555 ppm2      2.472
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 118  and name HD2 ))
  OR 
   (( segid "    " and resid 69   and name HA2 ))
 )
      5.000     5.000     0.000 peak  9588 weight  0.10000E+01 volume  0.67500E+00 ppm1      0.555 ppm2      3.736
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 118  and name HD1 ))
  OR 
   (( segid "    " and resid 104  and name HB1 ))
 )
      5.000     5.000     0.000 peak  5767 weight  0.10000E+01 volume  0.43200E+00 ppm1      0.555 ppm2      3.873
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 70   and name HA  ))
 )
      5.000     5.000     0.000 peak  9587 weight  0.10000E+01 volume  0.40300E+00 ppm1      0.555 ppm2      4.111
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 76   and name HN  ))
 )
      6.000     6.000     0.000 peak  9581 weight  0.10000E+01 volume  0.24300E+00 ppm1      0.555 ppm2      8.383
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 69   and name HN  ))
 )
      6.000     6.000     0.000 peak  9577 weight  0.10000E+01 volume  0.26000E+00 ppm1      0.555 ppm2      9.646
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 76   and name HB  ))
 )
      5.000     5.000     0.000 peak  9592 weight  0.10000E+01 volume  0.48800E+00 ppm1      0.556 ppm2      1.960
 ASSI (
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      6.000     6.000     0.000 peak  5768 weight  0.10000E+01 volume  0.29000E+00 ppm1      0.459 ppm2     -0.597
 ASSI (
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
 )(
   (( segid "    " and resid 118  and name HG2 ))
 )
      6.000     6.000     0.000 peak  9601 weight  0.10000E+01 volume  0.92000E-01 ppm1      0.460 ppm2      1.860
 ASSI (
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
 )(
   (( segid "    " and resid 120  and name HD2 ))
  OR 
   (( segid "    " and resid 118  and name HG1 ))
  OR 
   (( segid "    " and resid 118  and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 70   and name HG2 ))
 )
      5.000     5.000     0.000 peak  9600 weight  0.10000E+01 volume  0.44100E+00 ppm1      0.460 ppm2      2.014
 ASSI (
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
 )(
   (( segid "    " and resid 120  and name HD1 ))
  OR 
   (( segid "    " and resid 118  and name HB1 ))
 )
      6.000     6.000     0.000 peak  9599 weight  0.10000E+01 volume  0.25800E+00 ppm1      0.460 ppm2      2.211
 ASSI (
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9597 weight  0.10000E+01 volume  0.21600E+00 ppm1      0.460 ppm2      7.024
 ASSI (
   (( segid "    " and resid 119  and name HG  ))
 )(
   (( segid "    " and resid 70   and name HN  ))
 )
      5.000     5.000     0.000 peak  9569 weight  0.10000E+01 volume  0.52900E+00 ppm1      1.402 ppm2      7.723
 ASSI (
   (( segid "    " and resid 119  and name HG  ))
 )(
   (( segid "    " and resid 90   and name HZ  ))
  OR 
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9570 weight  0.10000E+01 volume  0.10920E+01 ppm1      1.403 ppm2      6.696
 ASSI (
   (( segid "    " and resid 120  and name HD1 ))
 )(
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 71   and name HG  ))
 )
      5.000     5.000     0.000 peak  5701 weight  0.10000E+01 volume  0.63800E+00 ppm1      2.182 ppm2      0.990
 ASSI (
   (( segid "    " and resid 120  and name HD1 ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9603 weight  0.10000E+01 volume  0.20200E+00 ppm1      2.181 ppm2      7.021
 ASSI (
   (( segid "    " and resid 120  and name HD1 ))
 )(
   (( segid "    " and resid 98   and name HB1 ))
  OR 
   (( segid "    " and resid 72   and name HB2 ))
  OR 
   (( segid "    " and resid 71   and name HB1 ))
  OR 
   (( segid "    " and resid 68   and name HG1 ))
 )
      5.000     5.000     0.000 peak  9609 weight  0.10000E+01 volume  0.60800E+00 ppm1      2.186 ppm2      1.512
 ASSI (
   (( segid "    " and resid 120  and name HD1 ))
 )(
   (( segid "    " and resid 90   and name HZ  ))
  OR 
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )
      6.000     6.000     0.000 peak  9605 weight  0.10000E+01 volume  0.25000E+00 ppm1      2.189 ppm2      6.694
 ASSI (
   (( segid "    " and resid 120  and name HD2 ))
 )(
   (( segid "    " and resid 90   and name HZ  ))
  OR 
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )
      6.000     6.000     0.000 peak  9606 weight  0.10000E+01 volume  0.22300E+00 ppm1      2.039 ppm2      6.693
 ASSI (
   (( segid "    " and resid 120  and name HD2 ))
 )(
   (( segid "    " and resid 98   and name HB1 ))
  OR 
   (( segid "    " and resid 72   and name HB2 ))
  OR 
   (( segid "    " and resid 71   and name HB1 ))
  OR 
   (( segid "    " and resid 68   and name HG1 ))
 )
      5.000     5.000     0.000 peak  9610 weight  0.10000E+01 volume  0.65900E+00 ppm1      2.040 ppm2      1.514
 ASSI (
   (( segid "    " and resid 120  and name HD2 ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9604 weight  0.10000E+01 volume  0.21500E+00 ppm1      2.044 ppm2      7.021
 ASSI (
   (( segid "    " and resid 120  and name HD2 ))
 )(
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 71   and name HG  ))
  OR 
   (( segid "    " and resid 68   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8955 weight  0.10000E+01 volume  0.80800E+00 ppm1      2.039 ppm2      0.991
 ASSI (
   (( segid "    " and resid 121  and name HA  ))
 )(
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
  OR 
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )
      5.000     5.000     0.000 peak  5141 weight  0.10000E+01 volume  0.12730E+01 ppm1      4.374 ppm2      0.496
 ASSI (
   (( segid "    " and resid 121  and name HB2 ))
 )(
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 71   and name HG  ))
 )
      5.000     5.000     0.000 peak  9624 weight  0.10000E+01 volume  0.48300E+00 ppm1      1.780 ppm2      1.016
 ASSI (
   (( segid "    " and resid 122  and name HA  ))
 )(
   (( segid "    " and resid 98   and name HA  ))
 )
      5.000     5.000     0.000 peak  5147 weight  0.10000E+01 volume  0.73400E+00 ppm1      5.261 ppm2      4.560
 ASSI (
   (( segid "    " and resid 122  and name HA  ))
 )(
   (( segid "    " and resid 123  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG1 ))
  OR 
   (( segid "    " and resid 120  and name HD1 ))
 )
      6.000     6.000     0.000 peak  5146 weight  0.10000E+01 volume  0.11800E+00 ppm1      5.262 ppm2      2.186
 ASSI (
   (( segid "    " and resid 122  and name HB2 ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
  OR 
   (( segid "    " and resid 73   and name HD22))
 )
      5.000     5.000     0.000 peak  9639 weight  0.10000E+01 volume  0.39100E+00 ppm1      2.414 ppm2      6.720
 ASSI (
   (( segid "    " and resid 123  and name HA  ))
 )(
   (( segid "    " and resid 96   and name HA  ))
 )
      5.000     5.000     0.000 peak  5100 weight  0.10000E+01 volume  0.73400E+00 ppm1      4.793 ppm2      5.057
 ASSI (
   (( segid "    " and resid 123  and name HB1 ))
 )(
   (( segid "    " and resid 97   and name HE2 ))
  OR 
   (( segid "    " and resid 97   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9653 weight  0.10000E+01 volume  0.31500E+00 ppm1      1.660 ppm2      7.188
 ASSI (
   (( segid "    " and resid 123  and name HB2 ))
 )(
   (( segid "    " and resid 97   and name HE2 ))
  OR 
   (( segid "    " and resid 97   and name HE1 ))
 )
      6.000     6.000     0.000 peak  9654 weight  0.10000E+01 volume  0.25400E+00 ppm1      1.464 ppm2      7.186
 ASSI (
   (( segid "    " and resid 123  and name HG1 ))
 )(
   (( segid "    " and resid 97   and name HE2 ))
  OR 
   (( segid "    " and resid 97   and name HE1 ))
  OR 
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9666 weight  0.10000E+01 volume  0.48300E+00 ppm1      2.281 ppm2      7.183
 ASSI (
   (( segid "    " and resid 123  and name HG2 ))
 )(
   (( segid "    " and resid 97   and name HE2 ))
  OR 
   (( segid "    " and resid 97   and name HE1 ))
  OR 
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9667 weight  0.10000E+01 volume  0.48500E+00 ppm1      2.195 ppm2      7.182
 ASSI (
   (( segid "    " and resid 124  and name HA  ))
 )(
   (( segid "    " and resid 96   and name HB2 ))
 )
      6.000     6.000     0.000 peak  5151 weight  0.10000E+01 volume  0.16800E+00 ppm1      3.590 ppm2      2.500
 ASSI (
   (( segid "    " and resid 124  and name HA  ))
 )(
   (( segid "    " and resid 97   and name HE2 ))
  OR 
   (( segid "    " and resid 97   and name HE1 ))
  OR 
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )
      6.000     6.000     0.000 peak  9674 weight  0.10000E+01 volume  0.19700E+00 ppm1      3.590 ppm2      7.149
 ASSI (
   (( segid "    " and resid 124  and name HD13))
  OR 
   (( segid "    " and resid 124  and name HD12))
  OR 
   (( segid "    " and resid 124  and name HD11))
 )(
   (( segid "    " and resid 96   and name HA  ))
 )
      6.000     6.000     0.000 peak  9715 weight  0.10000E+01 volume  0.10100E+00 ppm1      0.571 ppm2      5.099
 ASSI (
   (( segid "    " and resid 124  and name HD13))
  OR 
   (( segid "    " and resid 124  and name HD12))
  OR 
   (( segid "    " and resid 124  and name HD11))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9714 weight  0.10000E+01 volume  0.29600E+00 ppm1      0.571 ppm2      6.733
 ASSI (
   (( segid "    " and resid 124  and name HG11))
 )(
   (( segid "    " and resid 126  and name HN  ))
  OR 
   (( segid "    " and resid 96   and name HN  ))
 )
      6.000     6.000     0.000 peak  9690 weight  0.10000E+01 volume  0.14400E+00 ppm1      1.098 ppm2      8.173
 ASSI (
   (( segid "    " and resid 124  and name HG12))
 )(
   (( segid "    " and resid 126  and name HN  ))
  OR 
   (( segid "    " and resid 96   and name HN  ))
 )
      6.000     6.000     0.000 peak  9691 weight  0.10000E+01 volume  0.14700E+00 ppm1      0.821 ppm2      8.174
 ASSI (
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )(
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9705 weight  0.10000E+01 volume  0.14900E+00 ppm1      0.654 ppm2      7.026
 ASSI (
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )(
   (( segid "    " and resid 126  and name HN  ))
  OR 
   (( segid "    " and resid 96   and name HN  ))
 )
      5.000     5.000     0.000 peak  9702 weight  0.10000E+01 volume  0.57900E+00 ppm1      0.655 ppm2      8.171
 ASSI (
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )(
   (( segid "    " and resid 124  and name HN  ))
 )
      3.300     3.300     0.000 peak  9701 weight  0.10000E+01 volume  0.22250E+01 ppm1      0.655 ppm2      8.664
 ASSI (
   (( segid "    " and resid 1    and name HA  ))
 )(
   (( segid "    " and resid 1    and name HB1 ))
 )
      3.300     3.300     0.000 peak  4789 weight  0.10000E+01 volume  0.16010E+01 ppm1      4.899 ppm2      2.762
 ASSI (
   (( segid "    " and resid 1    and name HA  ))
 )(
   (( segid "    " and resid 1    and name HD21))
 )
      6.000     6.000     0.000 peak  7529 weight  0.10000E+01 volume  0.19300E+00 ppm1      4.900 ppm2      7.256
 ASSI (
   (( segid "    " and resid 1    and name HA  ))
 )(
   (( segid "    " and resid 2    and name HB2 ))
 )
      6.000     6.000     0.000 peak  4792 weight  0.10000E+01 volume  0.28400E+00 ppm1      4.900 ppm2      2.236
 ASSI (
   (( segid "    " and resid 1    and name HA  ))
 )(
   (( segid "    " and resid 2    and name HN  ))
 )
      3.300     3.300     0.000 peak  5778 weight  0.10000E+01 volume  0.27130E+01 ppm1      4.899 ppm2      8.847
 ASSI (
   (( segid "    " and resid 1    and name HA  ))
 )(
   (( segid "    " and resid 25   and name HN  ))
 )
      5.000     5.000     0.000 peak  6145 weight  0.10000E+01 volume  0.53800E+00 ppm1      4.899 ppm2      8.601
 ASSI (
   (( segid "    " and resid 1    and name HB1 ))
 )(
   (( segid "    " and resid 1    and name HD21))
 )
      5.000     5.000     0.000 peak  7322 weight  0.10000E+01 volume  0.73600E+00 ppm1      2.755 ppm2      7.265
 ASSI (
   (( segid "    " and resid 1    and name HB1 ))
 )(
   (( segid "    " and resid 1    and name HD22))
 )
      5.000     5.000     0.000 peak  7517 weight  0.10000E+01 volume  0.30400E+00 ppm1      2.756 ppm2      6.928
 ASSI (
   (( segid "    " and resid 1    and name HB1 ))
 )(
   (( segid "    " and resid 2    and name HN  ))
 )
      3.300     3.300     0.000 peak  4795 weight  0.10000E+01 volume  0.17560E+01 ppm1      2.756 ppm2      8.852
 ASSI (
   (( segid "    " and resid 1    and name HB1 ))
 )(
   (( segid "    " and resid 22   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7889 weight  0.10000E+01 volume  0.80300E+00 ppm1      2.751 ppm2      1.529
 ASSI (
   (( segid "    " and resid 1    and name HB2 ))
 )(
   (( segid "    " and resid 1    and name HA  ))
 )
      3.300     3.300     0.000 peak  6523 weight  0.10000E+01 volume  0.29580E+01 ppm1      2.608 ppm2      4.910
 ASSI (
   (( segid "    " and resid 1    and name HB2 ))
 )(
   (( segid "    " and resid 1    and name HD21))
 )
      5.000     5.000     0.000 peak  7515 weight  0.10000E+01 volume  0.84400E+00 ppm1      2.605 ppm2      7.263
 ASSI (
   (( segid "    " and resid 1    and name HB2 ))
 )(
   (( segid "    " and resid 1    and name HD22))
 )
      5.000     5.000     0.000 peak  7518 weight  0.10000E+01 volume  0.35000E+00 ppm1      2.605 ppm2      6.927
 ASSI (
   (( segid "    " and resid 1    and name HB2 ))
 )(
   (( segid "    " and resid 2    and name HN  ))
 )
      5.000     5.000     0.000 peak  5779 weight  0.10000E+01 volume  0.70500E+00 ppm1      2.603 ppm2      8.853
 ASSI (
   (( segid "    " and resid 1    and name HB2 ))
 )(
   (( segid "    " and resid 22   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5467 weight  0.10000E+01 volume  0.89600E+00 ppm1      2.609 ppm2      1.528
 ASSI (
   (( segid "    " and resid 2    and name HB1 ))
 )(
   (( segid "    " and resid 2    and name HA  ))
 )
      5.000     5.000     0.000 peak  7533 weight  0.10000E+01 volume  0.78200E+00 ppm1      3.036 ppm2      4.575
 ASSI (
   (( segid "    " and resid 2    and name HB1 ))
 )(
   (( segid "    " and resid 2    and name HB2 ))
 )
      3.300     3.300     0.000 peak  6782 weight  0.10000E+01 volume  0.19320E+01 ppm1      3.039 ppm2      2.248
 ASSI (
   (( segid "    " and resid 2    and name HB1 ))
 )(
   (( segid "    " and resid 2    and name HN  ))
 )
      5.000     5.000     0.000 peak  6161 weight  0.10000E+01 volume  0.56200E+00 ppm1      3.031 ppm2      8.843
 ASSI (
   (( segid "    " and resid 2    and name HB1 ))
 )(
   (( segid "    " and resid 3    and name HN  ))
 )
      5.000     5.000     0.000 peak  5786 weight  0.10000E+01 volume  0.56700E+00 ppm1      3.035 ppm2      8.534
 ASSI (
   (( segid "    " and resid 2    and name HB1 ))
 )(
   (( segid "    " and resid 54   and name HE1 ))
 )
      5.000     5.000     0.000 peak  6682 weight  0.10000E+01 volume  0.61100E+00 ppm1      3.038 ppm2     10.006
 ASSI (
   (( segid "    " and resid 2    and name HB1 ))
 )(
   (( segid "    " and resid 54   and name HZ2 ))
 )
      6.000     6.000     0.000 peak  7535 weight  0.10000E+01 volume  0.20800E+00 ppm1      3.037 ppm2      6.966
 ASSI (
   (( segid "    " and resid 2    and name HB2 ))
 )(
   (( segid "    " and resid 2    and name HA  ))
 )
      5.000     5.000     0.000 peak  7534 weight  0.10000E+01 volume  0.53700E+00 ppm1      2.232 ppm2      4.577
 ASSI (
   (( segid "    " and resid 2    and name HB2 ))
 )(
   (( segid "    " and resid 2    and name HN  ))
 )
      5.000     5.000     0.000 peak  6248 weight  0.10000E+01 volume  0.85100E+00 ppm1      2.233 ppm2      8.838
 ASSI (
   (( segid "    " and resid 2    and name HB2 ))
 )(
   (( segid "    " and resid 3    and name HN  ))
 )
      5.000     5.000     0.000 peak  5788 weight  0.10000E+01 volume  0.39800E+00 ppm1      2.231 ppm2      8.535
 ASSI (
   (( segid "    " and resid 2    and name HB2 ))
 )(
   (( segid "    " and resid 23   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5163 weight  0.10000E+01 volume  0.47800E+00 ppm1      2.231 ppm2      2.716
 ASSI (
   (( segid "    " and resid 2    and name HB2 ))
 )(
   (( segid "    " and resid 54   and name HE1 ))
 )
      5.000     5.000     0.000 peak  6681 weight  0.10000E+01 volume  0.44000E+00 ppm1      2.233 ppm2     10.004
 ASSI (
   (( segid "    " and resid 2    and name HB2 ))
 )(
   (( segid "    " and resid 54   and name HZ2 ))
 )
      6.000     6.000     0.000 peak  7538 weight  0.10000E+01 volume  0.26500E+00 ppm1      2.231 ppm2      6.955
 ASSI (
   (( segid "    " and resid 3    and name HA1 ))
 )(
   (( segid "    " and resid 3    and name HA2 ))
 )
      2.700     2.700     0.000 peak  7540 weight  0.10000E+01 volume  0.38560E+01 ppm1      4.857 ppm2      3.965
 ASSI (
   (( segid "    " and resid 3    and name HA1 ))
 )(
   (( segid "    " and resid 3    and name HN  ))
 )
      5.000     5.000     0.000 peak  4838 weight  0.10000E+01 volume  0.86100E+00 ppm1      4.853 ppm2      8.530
 ASSI (
   (( segid "    " and resid 3    and name HA1 ))
 )(
   (( segid "    " and resid 4    and name HD2 ))
 )
      5.000     5.000     0.000 peak  4802 weight  0.10000E+01 volume  0.89300E+00 ppm1      4.860 ppm2      3.650
 ASSI (
   (( segid "    " and resid 3    and name HA2 ))
 )(
   (( segid "    " and resid 3    and name HN  ))
 )
      3.300     3.300     0.000 peak  4839 weight  0.10000E+01 volume  0.15850E+01 ppm1      3.957 ppm2      8.528
 ASSI (
   (( segid "    " and resid 3    and name HA2 ))
 )(
   (( segid "    " and resid 4    and name HD2 ))
 )
      5.000     5.000     0.000 peak  4840 weight  0.10000E+01 volume  0.11560E+01 ppm1      3.959 ppm2      3.652
 ASSI (
   (( segid "    " and resid 4    and name HB1 ))
 )(
   (( segid "    " and resid 4    and name HA  ))
 )
      5.000     5.000     0.000 peak  7544 weight  0.10000E+01 volume  0.13250E+01 ppm1      2.436 ppm2      4.657
 ASSI (
   (( segid "    " and resid 4    and name HB1 ))
 )(
   (( segid "    " and resid 4    and name HB2 ))
 )
      2.700     2.700     0.000 peak  7542 weight  0.10000E+01 volume  0.55490E+01 ppm1      2.435 ppm2      1.780
 ASSI (
   (( segid "    " and resid 4    and name HB1 ))
 )(
   (( segid "    " and resid 4    and name HD1 ))
 )
      5.000     5.000     0.000 peak  7594 weight  0.10000E+01 volume  0.34300E+00 ppm1      2.434 ppm2      3.937
 ASSI (
   (( segid "    " and resid 4    and name HB1 ))
 )(
   (( segid "    " and resid 4    and name HD2 ))
 )
      5.000     5.000     0.000 peak  7598 weight  0.10000E+01 volume  0.54400E+00 ppm1      2.435 ppm2      3.642
 ASSI (
   (( segid "    " and resid 4    and name HB1 ))
 )(
   (( segid "    " and resid 4    and name HG1 ))
 )
      5.000     5.000     0.000 peak  7603 weight  0.10000E+01 volume  0.12610E+01 ppm1      2.435 ppm2      2.198
 ASSI (
   (( segid "    " and resid 4    and name HB1 ))
 )(
   (( segid "    " and resid 4    and name HG2 ))
 )
      3.300     3.300     0.000 peak  7605 weight  0.10000E+01 volume  0.15950E+01 ppm1      2.435 ppm2      2.058
 ASSI (
   (( segid "    " and resid 4    and name HB1 ))
 )(
   (( segid "    " and resid 5    and name HD1 ))
 )
      5.000     5.000     0.000 peak  5168 weight  0.10000E+01 volume  0.66900E+00 ppm1      2.432 ppm2      3.480
 ASSI (
   (( segid "    " and resid 4    and name HB2 ))
 )(
   (( segid "    " and resid 4    and name HA  ))
 )
      5.000     5.000     0.000 peak  7545 weight  0.10000E+01 volume  0.10670E+01 ppm1      1.780 ppm2      4.657
 ASSI (
   (( segid "    " and resid 4    and name HB2 ))
 )(
   (( segid "    " and resid 4    and name HD1 ))
 )
      5.000     5.000     0.000 peak  7596 weight  0.10000E+01 volume  0.71300E+00 ppm1      1.780 ppm2      3.936
 ASSI (
   (( segid "    " and resid 4    and name HB2 ))
 )(
   (( segid "    " and resid 4    and name HD2 ))
 )
      5.000     5.000     0.000 peak  7600 weight  0.10000E+01 volume  0.68700E+00 ppm1      1.779 ppm2      3.637
 ASSI (
   (( segid "    " and resid 4    and name HD1 ))
 )(
   (( segid "    " and resid 3    and name HA1 ))
 )
      5.000     5.000     0.000 peak  4836 weight  0.10000E+01 volume  0.70300E+00 ppm1      3.911 ppm2      4.871
 ASSI (
   (( segid "    " and resid 4    and name HD1 ))
 )(
   (( segid "    " and resid 4    and name HG1 ))
 )
      5.000     5.000     0.000 peak  7619 weight  0.10000E+01 volume  0.91400E+00 ppm1      3.914 ppm2      2.199
 ASSI (
   (( segid "    " and resid 4    and name HD1 ))
 )(
   (( segid "    " and resid 4    and name HG2 ))
 )
      5.000     5.000     0.000 peak  7618 weight  0.10000E+01 volume  0.97400E+00 ppm1      3.914 ppm2      2.060
 ASSI (
   (( segid "    " and resid 4    and name HD2 ))
 )(
   (( segid "    " and resid 4    and name HD1 ))
 )
      2.700     2.700     0.000 peak  7620 weight  0.10000E+01 volume  0.47310E+01 ppm1      3.638 ppm2      3.923
 ASSI (
   (( segid "    " and resid 4    and name HG1 ))
 )(
   (( segid "    " and resid 4    and name HA  ))
 )
      6.000     6.000     0.000 peak  7616 weight  0.10000E+01 volume  0.26000E+00 ppm1      2.189 ppm2      4.657
 ASSI (
   (( segid "    " and resid 4    and name HG1 ))
 )(
   (( segid "    " and resid 4    and name HB2 ))
 )
      3.300     3.300     0.000 peak  7610 weight  0.10000E+01 volume  0.26870E+01 ppm1      2.192 ppm2      1.783
 ASSI (
   (( segid "    " and resid 4    and name HG1 ))
 )(
   (( segid "    " and resid 4    and name HD2 ))
 )
      3.300     3.300     0.000 peak  7612 weight  0.10000E+01 volume  0.17260E+01 ppm1      2.191 ppm2      3.644
 ASSI (
   (( segid "    " and resid 4    and name HG1 ))
 )(
   (( segid "    " and resid 4    and name HG2 ))
 )
      2.700     2.700     0.000 peak  7607 weight  0.10000E+01 volume  0.72080E+01 ppm1      2.193 ppm2      2.060
 ASSI (
   (( segid "    " and resid 4    and name HG2 ))
 )(
   (( segid "    " and resid 4    and name HA  ))
 )
      5.000     5.000     0.000 peak  7617 weight  0.10000E+01 volume  0.34100E+00 ppm1      2.060 ppm2      4.657
 ASSI (
   (( segid "    " and resid 4    and name HG2 ))
 )(
   (( segid "    " and resid 4    and name HB2 ))
 )
      3.300     3.300     0.000 peak  7611 weight  0.10000E+01 volume  0.29680E+01 ppm1      2.060 ppm2      1.783
 ASSI (
   (( segid "    " and resid 4    and name HG2 ))
 )(
   (( segid "    " and resid 4    and name HD2 ))
 )
      3.300     3.300     0.000 peak  7614 weight  0.10000E+01 volume  0.17650E+01 ppm1      2.059 ppm2      3.642
 ASSI (
   (( segid "    " and resid 5    and name HA  ))
 )(
   (( segid "    " and resid 5    and name HB1 ))
 )
      5.000     5.000     0.000 peak  6696 weight  0.10000E+01 volume  0.64300E+00 ppm1      3.477 ppm2      1.142
 ASSI (
   (( segid "    " and resid 5    and name HA  ))
 )(
   (( segid "    " and resid 5    and name HB2 ))
 )
      5.000     5.000     0.000 peak  6697 weight  0.10000E+01 volume  0.84300E+00 ppm1      3.478 ppm2      0.240
 ASSI (
   (( segid "    " and resid 5    and name HA  ))
 )(
   (( segid "    " and resid 5    and name HG2 ))
 )
      6.000     6.000     0.000 peak  7623 weight  0.10000E+01 volume  0.24800E+00 ppm1      3.477 ppm2      0.918
 ASSI (
   (( segid "    " and resid 5    and name HA  ))
 )(
   (( segid "    " and resid 6    and name HD2 ))
 )
      5.000     5.000     0.000 peak  6693 weight  0.10000E+01 volume  0.11230E+01 ppm1      3.480 ppm2      2.730
 ASSI (
   (( segid "    " and resid 5    and name HA  ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )
      5.000     5.000     0.000 peak  6694 weight  0.10000E+01 volume  0.37800E+00 ppm1      3.477 ppm2      0.034
 ASSI (
   (( segid "    " and resid 5    and name HA  ))
 )(
   (( segid "    " and resid 54   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6680 weight  0.10000E+01 volume  0.57000E+00 ppm1      3.480 ppm2      7.286
 ASSI (
   (( segid "    " and resid 5    and name HA  ))
 )(
   (( segid "    " and resid 54   and name HE1 ))
 )
      5.000     5.000     0.000 peak  6678 weight  0.10000E+01 volume  0.61900E+00 ppm1      3.475 ppm2     10.004
 ASSI (
   (( segid "    " and resid 5    and name HB1 ))
 )(
   (( segid "    " and resid 5    and name HB2 ))
 )
      3.300     3.300     0.000 peak  5202 weight  0.10000E+01 volume  0.29040E+01 ppm1      1.137 ppm2      0.231
 ASSI (
   (( segid "    " and resid 5    and name HB1 ))
 )(
   (( segid "    " and resid 5    and name HD2 ))
 )
      6.000     6.000     0.000 peak  7636 weight  0.10000E+01 volume  0.15300E+00 ppm1      1.138 ppm2      3.031
 ASSI (
   (( segid "    " and resid 5    and name HB1 ))
 )(
   (( segid "    " and resid 5    and name HG1 ))
 )
      5.000     5.000     0.000 peak  7632 weight  0.10000E+01 volume  0.82500E+00 ppm1      1.139 ppm2      1.391
 ASSI (
   (( segid "    " and resid 5    and name HB1 ))
 )(
   (( segid "    " and resid 5    and name HG2 ))
 )
      5.000     5.000     0.000 peak  7628 weight  0.10000E+01 volume  0.67800E+00 ppm1      1.138 ppm2      0.922
 ASSI (
   (( segid "    " and resid 5    and name HB1 ))
 )(
   (( segid "    " and resid 6    and name HD2 ))
 )
      5.000     5.000     0.000 peak  7633 weight  0.10000E+01 volume  0.40400E+00 ppm1      1.137 ppm2      2.741
 ASSI (
   (( segid "    " and resid 5    and name HB1 ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )
      5.000     5.000     0.000 peak  7627 weight  0.10000E+01 volume  0.79200E+00 ppm1      1.137 ppm2      0.029
 ASSI (
   (( segid "    " and resid 5    and name HB2 ))
 )(
   (( segid "    " and resid 5    and name HD2 ))
 )
      6.000     6.000     0.000 peak  7638 weight  0.10000E+01 volume  0.19000E+00 ppm1      0.228 ppm2      3.032
 ASSI (
   (( segid "    " and resid 5    and name HB2 ))
 )(
   (( segid "    " and resid 5    and name HG1 ))
 )
      5.000     5.000     0.000 peak  7630 weight  0.10000E+01 volume  0.48600E+00 ppm1      0.229 ppm2      1.392
 ASSI (
   (( segid "    " and resid 5    and name HB2 ))
 )(
   (( segid "    " and resid 5    and name HG2 ))
 )
      5.000     5.000     0.000 peak  7629 weight  0.10000E+01 volume  0.49000E+00 ppm1      0.232 ppm2      0.921
 ASSI (
   (( segid "    " and resid 5    and name HB2 ))
 )(
   (( segid "    " and resid 6    and name HD2 ))
 )
      6.000     6.000     0.000 peak  7634 weight  0.10000E+01 volume  0.27700E+00 ppm1      0.228 ppm2      2.745
 ASSI (
   (( segid "    " and resid 5    and name HD1 ))
 )(
   (( segid "    " and resid 4    and name HA  ))
 )
      3.300     3.300     0.000 peak  5170 weight  0.10000E+01 volume  0.28530E+01 ppm1      3.464 ppm2      4.652
 ASSI (
   (( segid "    " and resid 5    and name HD1 ))
 )(
   (( segid "    " and resid 4    and name HB2 ))
 )
      3.300     3.300     0.000 peak  5487 weight  0.10000E+01 volume  0.15770E+01 ppm1      3.462 ppm2      1.795
 ASSI (
   (( segid "    " and resid 5    and name HD1 ))
 )(
   (( segid "    " and resid 5    and name HD2 ))
 )
      3.300     3.300     0.000 peak  7654 weight  0.10000E+01 volume  0.28610E+01 ppm1      3.470 ppm2      3.014
 ASSI (
   (( segid "    " and resid 5    and name HD1 ))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7656 weight  0.10000E+01 volume  0.81000E+00 ppm1      3.464 ppm2      7.212
 ASSI (
   (( segid "    " and resid 5    and name HD1 ))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      5.000     5.000     0.000 peak  7648 weight  0.10000E+01 volume  0.34400E+00 ppm1      3.466 ppm2      0.084
 ASSI (
   (( segid "    " and resid 5    and name HD2 ))
 )(
   (( segid "    " and resid 4    and name HA  ))
 )
      5.000     5.000     0.000 peak  5171 weight  0.10000E+01 volume  0.13590E+01 ppm1      3.005 ppm2      4.653
 ASSI (
   (( segid "    " and resid 5    and name HD2 ))
 )(
   (( segid "    " and resid 4    and name HB1 ))
 )
      5.000     5.000     0.000 peak  5166 weight  0.10000E+01 volume  0.35300E+00 ppm1      3.003 ppm2      2.447
 ASSI (
   (( segid "    " and resid 5    and name HD2 ))
 )(
   (( segid "    " and resid 5    and name HG1 ))
 )
      5.000     5.000     0.000 peak  7653 weight  0.10000E+01 volume  0.77100E+00 ppm1      3.007 ppm2      1.388
 ASSI (
   (( segid "    " and resid 5    and name HD2 ))
 )(
   (( segid "    " and resid 5    and name HG2 ))
 )
      5.000     5.000     0.000 peak  7651 weight  0.10000E+01 volume  0.10210E+01 ppm1      3.009 ppm2      0.919
 ASSI (
   (( segid "    " and resid 5    and name HD2 ))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )
      5.000     5.000     0.000 peak  5167 weight  0.10000E+01 volume  0.56300E+00 ppm1      3.006 ppm2      7.212
 ASSI (
   (( segid "    " and resid 5    and name HD2 ))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      5.000     5.000     0.000 peak  7649 weight  0.10000E+01 volume  0.32300E+00 ppm1      3.008 ppm2      0.078
 ASSI (
   (( segid "    " and resid 5    and name HG1 ))
 )(
   (( segid "    " and resid 4    and name HA  ))
 )
      5.000     5.000     0.000 peak  7646 weight  0.10000E+01 volume  0.70500E+00 ppm1      1.380 ppm2      4.643
 ASSI (
   (( segid "    " and resid 5    and name HG1 ))
 )(
   (( segid "    " and resid 5    and name HD1 ))
 )
      3.300     3.300     0.000 peak  7645 weight  0.10000E+01 volume  0.17270E+01 ppm1      1.380 ppm2      3.474
 ASSI (
   (( segid "    " and resid 5    and name HG1 ))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      3.300     3.300     0.000 peak  7642 weight  0.10000E+01 volume  0.22690E+01 ppm1      1.379 ppm2      0.086
 ASSI (
   (( segid "    " and resid 5    and name HG2 ))
 )(
   (( segid "    " and resid 5    and name HD1 ))
 )
      3.300     3.300     0.000 peak  5307 weight  0.10000E+01 volume  0.15260E+01 ppm1      0.912 ppm2      3.476
 ASSI (
   (( segid "    " and resid 5    and name HG2 ))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      5.000     5.000     0.000 peak  5486 weight  0.10000E+01 volume  0.12120E+01 ppm1      0.914 ppm2      0.083
 ASSI (
   (( segid "    " and resid 6    and name HA  ))
 )(
   (( segid "    " and resid 7    and name HN  ))
 )
      2.700     2.700     0.000 peak  5790 weight  0.10000E+01 volume  0.59290E+01 ppm1      4.309 ppm2      8.287
 ASSI (
   (( segid "    " and resid 6    and name HB1 ))
 )(
   (( segid "    " and resid 6    and name HA  ))
 )
      3.300     3.300     0.000 peak  7664 weight  0.10000E+01 volume  0.17840E+01 ppm1      2.152 ppm2      4.321
 ASSI (
   (( segid "    " and resid 6    and name HB1 ))
 )(
   (( segid "    " and resid 6    and name HD1 ))
 )
      6.000     6.000     0.000 peak  7659 weight  0.10000E+01 volume  0.26900E+00 ppm1      2.149 ppm2      3.400
 ASSI (
   (( segid "    " and resid 6    and name HB1 ))
 )(
   (( segid "    " and resid 6    and name HD2 ))
 )
      6.000     6.000     0.000 peak  7661 weight  0.10000E+01 volume  0.22500E+00 ppm1      2.150 ppm2      2.746
 ASSI (
   (( segid "    " and resid 6    and name HB1 ))
 )(
   (( segid "    " and resid 7    and name HN  ))
 )
      5.000     5.000     0.000 peak  5792 weight  0.10000E+01 volume  0.46000E+00 ppm1      2.148 ppm2      8.290
 ASSI (
   (( segid "    " and resid 6    and name HB1 ))
 )(
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )
      5.000     5.000     0.000 peak  7663 weight  0.10000E+01 volume  0.30200E+00 ppm1      2.151 ppm2      0.076
 ASSI (
   (( segid "    " and resid 6    and name HB2 ))
 )(
   (( segid "    " and resid 6    and name HA  ))
 )
      3.300     3.300     0.000 peak  7665 weight  0.10000E+01 volume  0.24940E+01 ppm1      1.641 ppm2      4.319
 ASSI (
   (( segid "    " and resid 6    and name HB2 ))
 )(
   (( segid "    " and resid 6    and name HD1 ))
 )
      5.000     5.000     0.000 peak  7660 weight  0.10000E+01 volume  0.95900E+00 ppm1      1.635 ppm2      3.409
 ASSI (
   (( segid "    " and resid 6    and name HB2 ))
 )(
   (( segid "    " and resid 6    and name HD2 ))
 )
      6.000     6.000     0.000 peak  7662 weight  0.10000E+01 volume  0.25600E+00 ppm1      1.636 ppm2      2.746
 ASSI (
   (( segid "    " and resid 6    and name HB2 ))
 )(
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )
      5.000     5.000     0.000 peak  5506 weight  0.10000E+01 volume  0.37600E+00 ppm1      1.632 ppm2      0.079
 ASSI (
   (( segid "    " and resid 6    and name HD1 ))
 )(
   (( segid "    " and resid 5    and name HB2 ))
 )
      6.000     6.000     0.000 peak  7674 weight  0.10000E+01 volume  0.24000E+00 ppm1      3.383 ppm2      0.254
 ASSI (
   (( segid "    " and resid 6    and name HD1 ))
 )(
   (( segid "    " and resid 6    and name HD2 ))
 )
      5.000     5.000     0.000 peak  7680 weight  0.10000E+01 volume  0.14110E+01 ppm1      3.384 ppm2      2.731
 ASSI (
   (( segid "    " and resid 6    and name HD1 ))
 )(
   (( segid "    " and resid 6    and name HG1 ))
 )
      5.000     5.000     0.000 peak  7677 weight  0.10000E+01 volume  0.51800E+00 ppm1      3.385 ppm2      1.989
 ASSI (
   (( segid "    " and resid 6    and name HD1 ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )
      5.000     5.000     0.000 peak  5493 weight  0.10000E+01 volume  0.45500E+00 ppm1      3.383 ppm2      0.027
 ASSI (
   (( segid "    " and resid 6    and name HD1 ))
 )(
   (( segid "    " and resid 54   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7681 weight  0.10000E+01 volume  0.53700E+00 ppm1      3.384 ppm2      7.291
 ASSI (
   (( segid "    " and resid 6    and name HD2 ))
 )(
   (( segid "    " and resid 6    and name HG1 ))
 )
      5.000     5.000     0.000 peak  7678 weight  0.10000E+01 volume  0.45100E+00 ppm1      2.729 ppm2      1.992
 ASSI (
   (( segid "    " and resid 6    and name HD2 ))
 )(
   (( segid "    " and resid 6    and name HG2 ))
 )
      5.000     5.000     0.000 peak  7676 weight  0.10000E+01 volume  0.59000E+00 ppm1      2.730 ppm2      1.481
 ASSI (
   (( segid "    " and resid 6    and name HD2 ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )
      5.000     5.000     0.000 peak  5496 weight  0.10000E+01 volume  0.48500E+00 ppm1      2.731 ppm2      0.018
 ASSI (
   (( segid "    " and resid 6    and name HD2 ))
 )(
   (( segid "    " and resid 54   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7683 weight  0.10000E+01 volume  0.30600E+00 ppm1      2.729 ppm2      7.297
 ASSI (
   (( segid "    " and resid 6    and name HG1 ))
 )(
   (( segid "    " and resid 6    and name HA  ))
 )
      5.000     5.000     0.000 peak  7670 weight  0.10000E+01 volume  0.44200E+00 ppm1      1.979 ppm2      4.329
 ASSI (
   (( segid "    " and resid 6    and name HG1 ))
 )(
   (( segid "    " and resid 6    and name HB2 ))
 )
      3.300     3.300     0.000 peak  7668 weight  0.10000E+01 volume  0.15830E+01 ppm1      1.979 ppm2      1.641
 ASSI (
   (( segid "    " and resid 6    and name HG1 ))
 )(
   (( segid "    " and resid 6    and name HG2 ))
 )
      2.700     2.700     0.000 peak  7666 weight  0.10000E+01 volume  0.37430E+01 ppm1      1.976 ppm2      1.484
 ASSI (
   (( segid "    " and resid 6    and name HG1 ))
 )(
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )
      5.000     5.000     0.000 peak  5130 weight  0.10000E+01 volume  0.58800E+00 ppm1      1.977 ppm2      0.058
 ASSI (
   (( segid "    " and resid 6    and name HG2 ))
 )(
   (( segid "    " and resid 6    and name HD1 ))
 )
      3.300     3.300     0.000 peak  5492 weight  0.10000E+01 volume  0.22520E+01 ppm1      1.479 ppm2      3.409
 ASSI (
   (( segid "    " and resid 6    and name HG2 ))
 )(
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )
      6.000     6.000     0.000 peak  7716 weight  0.10000E+01 volume  0.19000E+00 ppm1      1.472 ppm2     -0.296
 ASSI (
   (( segid "    " and resid 7    and name HA  ))
 )(
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG21))
 )
      3.300     3.300     0.000 peak  7688 weight  0.10000E+01 volume  0.25170E+01 ppm1      3.819 ppm2      1.054
 ASSI (
   (( segid "    " and resid 7    and name HA  ))
 )(
   (( segid "    " and resid 7    and name HN  ))
 )
      5.000     5.000     0.000 peak  7685 weight  0.10000E+01 volume  0.86400E+00 ppm1      3.819 ppm2      8.290
 ASSI (
   (( segid "    " and resid 7    and name HB  ))
 )(
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG21))
 )
      2.700     2.700     0.000 peak  7689 weight  0.10000E+01 volume  0.63540E+01 ppm1      3.871 ppm2      1.061
 ASSI (
   (( segid "    " and resid 7    and name HB  ))
 )(
   (( segid "    " and resid 8    and name HN  ))
 )
      5.000     5.000     0.000 peak  7691 weight  0.10000E+01 volume  0.64200E+00 ppm1      3.870 ppm2      8.430
 ASSI (
   (( segid "    " and resid 8    and name HA  ))
 )(
   (( segid "    " and resid 7    and name HA  ))
 )
      5.000     5.000     0.000 peak  4843 weight  0.10000E+01 volume  0.70500E+00 ppm1      4.354 ppm2      3.829
 ASSI (
   (( segid "    " and resid 8    and name HA  ))
 )(
   (( segid "    " and resid 8    and name HB1 ))
 )
      5.000     5.000     0.000 peak  7693 weight  0.10000E+01 volume  0.75600E+00 ppm1      4.355 ppm2      1.248
 ASSI (
   (( segid "    " and resid 8    and name HA  ))
 )(
   (( segid "    " and resid 8    and name HB2 ))
 )
      5.000     5.000     0.000 peak  7698 weight  0.10000E+01 volume  0.85100E+00 ppm1      4.359 ppm2     -0.070
 ASSI (
   (( segid "    " and resid 8    and name HA  ))
 )(
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )
      5.000     5.000     0.000 peak  7700 weight  0.10000E+01 volume  0.40600E+00 ppm1      4.354 ppm2     -0.282
 ASSI (
   (( segid "    " and resid 8    and name HA  ))
 )(
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )
      3.300     3.300     0.000 peak  7696 weight  0.10000E+01 volume  0.20760E+01 ppm1      4.358 ppm2      0.087
 ASSI (
   (( segid "    " and resid 8    and name HA  ))
 )(
   (( segid "    " and resid 8    and name HN  ))
 )
      5.000     5.000     0.000 peak  7692 weight  0.10000E+01 volume  0.91000E+00 ppm1      4.351 ppm2      8.432
 ASSI (
   (( segid "    " and resid 8    and name HA  ))
 )(
   (( segid "    " and resid 9    and name HN  ))
 )
      2.700     2.700     0.000 peak  4841 weight  0.10000E+01 volume  0.44310E+01 ppm1      4.351 ppm2      8.568
 ASSI (
   (( segid "    " and resid 8    and name HA  ))
 )(
   (( segid "    " and resid 10   and name HN  ))
 )
      6.000     6.000     0.000 peak  4842 weight  0.10000E+01 volume  0.27800E+00 ppm1      4.350 ppm2      5.810
 ASSI (
   (( segid "    " and resid 8    and name HB1 ))
 )(
   (( segid "    " and resid 8    and name HB2 ))
 )
      3.300     3.300     0.000 peak  5221 weight  0.10000E+01 volume  0.18470E+01 ppm1      1.234 ppm2     -0.083
 ASSI (
   (( segid "    " and resid 8    and name HB1 ))
 )(
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )
      5.000     5.000     0.000 peak  7702 weight  0.10000E+01 volume  0.10780E+01 ppm1      1.237 ppm2     -0.282
 ASSI (
   (( segid "    " and resid 8    and name HB1 ))
 )(
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )
      5.000     5.000     0.000 peak  7705 weight  0.10000E+01 volume  0.87300E+00 ppm1      1.233 ppm2      0.077
 ASSI (
   (( segid "    " and resid 8    and name HB1 ))
 )(
   (( segid "    " and resid 8    and name HG  ))
 )
      5.000     5.000     0.000 peak  5223 weight  0.10000E+01 volume  0.11120E+01 ppm1      1.234 ppm2      1.039
 ASSI (
   (( segid "    " and resid 8    and name HB1 ))
 )(
   (( segid "    " and resid 8    and name HN  ))
 )
      5.000     5.000     0.000 peak  5227 weight  0.10000E+01 volume  0.49800E+00 ppm1      1.234 ppm2      8.429
 ASSI (
   (( segid "    " and resid 8    and name HB1 ))
 )(
   (( segid "    " and resid 11   and name HN  ))
 )
      5.000     5.000     0.000 peak  5226 weight  0.10000E+01 volume  0.60500E+00 ppm1      1.232 ppm2      6.465
 ASSI (
   (( segid "    " and resid 8    and name HB2 ))
 )(
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )
      5.000     5.000     0.000 peak  7704 weight  0.10000E+01 volume  0.53700E+00 ppm1     -0.091 ppm2     -0.285
 ASSI (
   (( segid "    " and resid 8    and name HB2 ))
 )(
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )
      5.000     5.000     0.000 peak  7707 weight  0.10000E+01 volume  0.58300E+00 ppm1     -0.090 ppm2      0.078
 ASSI (
   (( segid "    " and resid 8    and name HB2 ))
 )(
   (( segid "    " and resid 8    and name HG  ))
 )
      5.000     5.000     0.000 peak  5228 weight  0.10000E+01 volume  0.41300E+00 ppm1     -0.092 ppm2      1.043
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 6    and name HG1 ))
 )
      6.000     6.000     0.000 peak  7718 weight  0.10000E+01 volume  0.75000E-01 ppm1     -0.293 ppm2      1.999
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 8    and name HG  ))
 )
      5.000     5.000     0.000 peak  5500 weight  0.10000E+01 volume  0.10200E+01 ppm1     -0.295 ppm2      1.033
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 9    and name HN  ))
 )
      6.000     6.000     0.000 peak  6282 weight  0.10000E+01 volume  0.10500E+00 ppm1     -0.296 ppm2      8.568
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 10   and name HB1 ))
 )
      6.000     6.000     0.000 peak  7719 weight  0.10000E+01 volume  0.82000E-01 ppm1     -0.295 ppm2      2.516
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 10   and name HE2 ))
  OR 
   (( segid "    " and resid 10   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7724 weight  0.10000E+01 volume  0.51500E+00 ppm1     -0.296 ppm2      6.303
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 10   and name HN  ))
 )
      6.000     6.000     0.000 peak  7721 weight  0.10000E+01 volume  0.13400E+00 ppm1     -0.296 ppm2      5.803
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7725 weight  0.10000E+01 volume  0.37700E+00 ppm1     -0.294 ppm2      6.512
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7722 weight  0.10000E+01 volume  0.56300E+00 ppm1     -0.295 ppm2      6.221
 ASSI (
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )(
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )
      6.000     6.000     0.000 peak  7726 weight  0.10000E+01 volume  0.27300E+00 ppm1     -0.294 ppm2      6.662
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 6    and name HD1 ))
 )
      6.000     6.000     0.000 peak  7732 weight  0.10000E+01 volume  0.11900E+00 ppm1      0.072 ppm2      3.407
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 6    and name HD2 ))
 )
      6.000     6.000     0.000 peak  7731 weight  0.10000E+01 volume  0.14900E+00 ppm1      0.074 ppm2      2.751
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 6    and name HG2 ))
 )
      5.000     5.000     0.000 peak  5504 weight  0.10000E+01 volume  0.66400E+00 ppm1      0.072 ppm2      1.479
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )
      3.300     3.300     0.000 peak  7730 weight  0.10000E+01 volume  0.29870E+01 ppm1      0.072 ppm2     -0.284
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 8    and name HG  ))
 )
      3.300     3.300     0.000 peak  7711 weight  0.10000E+01 volume  0.19780E+01 ppm1      0.072 ppm2      1.032
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 8    and name HN  ))
 )
      5.000     5.000     0.000 peak  7741 weight  0.10000E+01 volume  0.35900E+00 ppm1      0.071 ppm2      8.431
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 9    and name HN  ))
 )
      5.000     5.000     0.000 peak  5804 weight  0.10000E+01 volume  0.49800E+00 ppm1      0.071 ppm2      8.567
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 10   and name HN  ))
 )
      6.000     6.000     0.000 peak  7735 weight  0.10000E+01 volume  0.13400E+00 ppm1      0.072 ppm2      5.801
 ASSI (
   (( segid "    " and resid 8    and name HD23))
  OR 
   (( segid "    " and resid 8    and name HD22))
  OR 
   (( segid "    " and resid 8    and name HD21))
 )(
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7737 weight  0.10000E+01 volume  0.75000E+00 ppm1      0.071 ppm2      6.652
 ASSI (
   (( segid "    " and resid 8    and name HG  ))
 )(
   (( segid "    " and resid 8    and name HA  ))
 )
      3.300     3.300     0.000 peak  7714 weight  0.10000E+01 volume  0.16010E+01 ppm1      1.031 ppm2      4.345
 ASSI (
   (( segid "    " and resid 9    and name HA  ))
 )(
   (( segid "    " and resid 9    and name HB1 ))
 )
      3.300     3.300     0.000 peak  7745 weight  0.10000E+01 volume  0.16370E+01 ppm1      4.028 ppm2      3.924
 ASSI (
   (( segid "    " and resid 9    and name HA  ))
 )(
   (( segid "    " and resid 9    and name HB2 ))
 )
      3.300     3.300     0.000 peak  7744 weight  0.10000E+01 volume  0.16600E+01 ppm1      4.028 ppm2      3.803
 ASSI (
   (( segid "    " and resid 9    and name HA  ))
 )(
   (( segid "    " and resid 9    and name HN  ))
 )
      5.000     5.000     0.000 peak  6285 weight  0.10000E+01 volume  0.51800E+00 ppm1      4.028 ppm2      8.568
 ASSI (
   (( segid "    " and resid 9    and name HB1 ))
 )(
   (( segid "    " and resid 9    and name HB2 ))
 )
      2.700     2.700     0.000 peak  7751 weight  0.10000E+01 volume  0.10476E+02 ppm1      3.934 ppm2      3.809
 ASSI (
   (( segid "    " and resid 9    and name HB1 ))
 )(
   (( segid "    " and resid 9    and name HN  ))
 )
      5.000     5.000     0.000 peak  7748 weight  0.10000E+01 volume  0.52600E+00 ppm1      3.932 ppm2      8.569
 ASSI (
   (( segid "    " and resid 9    and name HB2 ))
 )(
   (( segid "    " and resid 9    and name HN  ))
 )
      5.000     5.000     0.000 peak  7750 weight  0.10000E+01 volume  0.79700E+00 ppm1      3.804 ppm2      8.570
 ASSI (
   (( segid "    " and resid 10   and name HA  ))
 )(
   (( segid "    " and resid 10   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7754 weight  0.10000E+01 volume  0.47700E+00 ppm1      3.520 ppm2      2.518
 ASSI (
   (( segid "    " and resid 10   and name HA  ))
 )(
   (( segid "    " and resid 10   and name HB2 ))
 )
      5.000     5.000     0.000 peak  7752 weight  0.10000E+01 volume  0.46200E+00 ppm1      3.520 ppm2      2.164
 ASSI (
   (( segid "    " and resid 10   and name HB1 ))
 )(
   (( segid "    " and resid 10   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5236 weight  0.10000E+01 volume  0.12660E+01 ppm1      2.500 ppm2      2.158
 ASSI (
   (( segid "    " and resid 10   and name HB1 ))
 )(
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5231 weight  0.10000E+01 volume  0.12440E+01 ppm1      2.503 ppm2      6.689
 ASSI (
   (( segid "    " and resid 10   and name HB2 ))
 )(
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5921 weight  0.10000E+01 volume  0.14260E+01 ppm1      2.145 ppm2      6.690
 ASSI (
   (( segid "    " and resid 10   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HD1 ))
 )(
   (( segid "    " and resid 10   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6351 weight  0.10000E+01 volume  0.73100E+00 ppm1      6.654 ppm2      2.514
 ASSI (
   (( segid "    " and resid 10   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HD1 ))
 )(
   (( segid "    " and resid 10   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6406 weight  0.10000E+01 volume  0.51800E+00 ppm1      6.654 ppm2      2.157
 ASSI (
   (( segid "    " and resid 10   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HD1 ))
 )(
   (( segid "    " and resid 10   and name HE2 ))
  OR 
   (( segid "    " and resid 10   and name HE1 ))
 )
      5.000     5.000     0.000 peak  5920 weight  0.10000E+01 volume  0.79000E+00 ppm1      6.651 ppm2      6.283
 ASSI (
   (( segid "    " and resid 10   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HD1 ))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7480 weight  0.10000E+01 volume  0.69500E+00 ppm1      6.655 ppm2      1.240
 ASSI (
   (( segid "    " and resid 10   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HD1 ))
 )(
   (( segid "    " and resid 60   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7479 weight  0.10000E+01 volume  0.58800E+00 ppm1      6.655 ppm2      3.004
 ASSI (
   (( segid "    " and resid 10   and name HZ  ))
 )(
   (( segid "    " and resid 10   and name HE2 ))
  OR 
   (( segid "    " and resid 10   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7482 weight  0.10000E+01 volume  0.71700E+00 ppm1      6.991 ppm2      6.304
 ASSI (
   (( segid "    " and resid 11   and name HA  ))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )
      3.300     3.300     0.000 peak  7756 weight  0.10000E+01 volume  0.20560E+01 ppm1      4.906 ppm2      1.227
 ASSI (
   (( segid "    " and resid 11   and name HA  ))
 )(
   (( segid "    " and resid 11   and name HN  ))
 )
      5.000     5.000     0.000 peak  4852 weight  0.10000E+01 volume  0.42400E+00 ppm1      4.903 ppm2      6.462
 ASSI (
   (( segid "    " and resid 11   and name HA  ))
 )(
   (( segid "    " and resid 33   and name HA  ))
 )
      5.000     5.000     0.000 peak  4854 weight  0.10000E+01 volume  0.86800E+00 ppm1      4.906 ppm2      5.102
 ASSI (
   (( segid "    " and resid 11   and name HA  ))
 )(
   (( segid "    " and resid 34   and name HD13))
  OR 
   (( segid "    " and resid 34   and name HD12))
  OR 
   (( segid "    " and resid 34   and name HD11))
 )
      5.000     5.000     0.000 peak  4850 weight  0.10000E+01 volume  0.33500E+00 ppm1      4.901 ppm2      0.560
 ASSI (
   (( segid "    " and resid 11   and name HA  ))
 )(
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )
      5.000     5.000     0.000 peak  4848 weight  0.10000E+01 volume  0.34400E+00 ppm1      4.900 ppm2      0.824
 ASSI (
   (( segid "    " and resid 11   and name HA  ))
 )(
   (( segid "    " and resid 34   and name HG  ))
 )
      5.000     5.000     0.000 peak  4847 weight  0.10000E+01 volume  0.10740E+01 ppm1      4.900 ppm2      1.006
 ASSI (
   (( segid "    " and resid 11   and name HA  ))
 )(
   (( segid "    " and resid 34   and name HN  ))
 )
      5.000     5.000     0.000 peak  4853 weight  0.10000E+01 volume  0.10090E+01 ppm1      4.903 ppm2      7.397
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )
      5.000     5.000     0.000 peak  7766 weight  0.10000E+01 volume  0.12250E+01 ppm1      1.227 ppm2     -0.280
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 31   and name HB1 ))
 )
      3.300     3.300     0.000 peak  5279 weight  0.10000E+01 volume  0.16460E+01 ppm1      1.226 ppm2      2.657
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 31   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5281 weight  0.10000E+01 volume  0.10480E+01 ppm1      1.223 ppm2      2.504
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      3.300     3.300     0.000 peak  7759 weight  0.10000E+01 volume  0.26700E+01 ppm1      1.225 ppm2      6.508
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 32   and name HN  ))
 )
      5.000     5.000     0.000 peak  6385 weight  0.10000E+01 volume  0.43100E+00 ppm1      1.223 ppm2      8.936
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 33   and name HA  ))
 )
      5.000     5.000     0.000 peak  4799 weight  0.10000E+01 volume  0.11050E+01 ppm1      1.225 ppm2      5.096
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 34   and name HN  ))
 )
      5.000     5.000     0.000 peak  7758 weight  0.10000E+01 volume  0.59800E+00 ppm1      1.224 ppm2      7.399
 ASSI (
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )(
   (( segid "    " and resid 59   and name HE2 ))
  OR 
   (( segid "    " and resid 59   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7383 weight  0.10000E+01 volume  0.14960E+01 ppm1      1.225 ppm2      6.905
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB1 ))
 )(
   (( segid "    " and resid 11   and name HA  ))
 )
      6.000     6.000     0.000 peak  7772 weight  0.10000E+01 volume  0.28600E+00 ppm1      1.163 ppm2      4.905
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB1 ))
 )(
   (( segid "    " and resid 12   and name HA  ))
 )
      3.300     3.300     0.000 peak  7773 weight  0.10000E+01 volume  0.24120E+01 ppm1      1.164 ppm2      4.607
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB1 ))
 )(
   (( segid "    " and resid 12   and name HN  ))
 )
      5.000     5.000     0.000 peak  6191 weight  0.10000E+01 volume  0.12240E+01 ppm1      1.162 ppm2      8.628
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB1 ))
 )(
   (( segid "    " and resid 13   and name HD1 ))
 )
      2.700     2.700     0.000 peak  5509 weight  0.10000E+01 volume  0.31440E+01 ppm1      1.162 ppm2      3.424
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB1 ))
 )(
   (( segid "    " and resid 13   and name HD2 ))
 )
      3.300     3.300     0.000 peak  5511 weight  0.10000E+01 volume  0.20860E+01 ppm1      1.161 ppm2      3.264
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB1 ))
 )(
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      6.000     6.000     0.000 peak  7769 weight  0.10000E+01 volume  0.19700E+00 ppm1      1.163 ppm2      6.504
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB1 ))
 )(
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )
      6.000     6.000     0.000 peak  7770 weight  0.10000E+01 volume  0.20200E+00 ppm1      1.164 ppm2      6.235
 ASSI (
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB1 ))
 )(
   (( segid "    " and resid 32   and name HN  ))
 )
      5.000     5.000     0.000 peak  7767 weight  0.10000E+01 volume  0.59500E+00 ppm1      1.162 ppm2      8.931
 ASSI (
   (( segid "    " and resid 13   and name HA  ))
 )(
   (( segid "    " and resid 13   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7774 weight  0.10000E+01 volume  0.13040E+01 ppm1      3.117 ppm2      1.633
 ASSI (
   (( segid "    " and resid 13   and name HA  ))
 )(
   (( segid "    " and resid 13   and name HB2 ))
 )
      5.000     5.000     0.000 peak  7775 weight  0.10000E+01 volume  0.88400E+00 ppm1      3.118 ppm2      1.538
 ASSI (
   (( segid "    " and resid 13   and name HA  ))
 )(
   (( segid "    " and resid 14   and name HN  ))
 )
      3.300     3.300     0.000 peak  4856 weight  0.10000E+01 volume  0.16280E+01 ppm1      3.116 ppm2      8.221
 ASSI (
   (( segid "    " and resid 13   and name HA  ))
 )(
   (( segid "    " and resid 31   and name HA  ))
 )
      5.000     5.000     0.000 peak  4857 weight  0.10000E+01 volume  0.92700E+00 ppm1      3.117 ppm2      4.810
 ASSI (
   (( segid "    " and resid 13   and name HB1 ))
 )(
   (( segid "    " and resid 13   and name HD2 ))
 )
      5.000     5.000     0.000 peak  7780 weight  0.10000E+01 volume  0.80000E+00 ppm1      1.635 ppm2      3.269
 ASSI (
   (( segid "    " and resid 13   and name HB2 ))
 )(
   (( segid "    " and resid 13   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7782 weight  0.10000E+01 volume  0.64200E+00 ppm1      1.524 ppm2      3.424
 ASSI (
   (( segid "    " and resid 13   and name HB2 ))
 )(
   (( segid "    " and resid 13   and name HD2 ))
 )
      5.000     5.000     0.000 peak  7781 weight  0.10000E+01 volume  0.63200E+00 ppm1      1.525 ppm2      3.268
 ASSI (
   (( segid "    " and resid 13   and name HD1 ))
 )(
   (( segid "    " and resid 12   and name HA  ))
 )
      3.300     3.300     0.000 peak  5512 weight  0.10000E+01 volume  0.21550E+01 ppm1      3.409 ppm2      4.621
 ASSI (
   (( segid "    " and resid 13   and name HD1 ))
 )(
   (( segid "    " and resid 13   and name HB1 ))
 )
      3.300     3.300     0.000 peak  7783 weight  0.10000E+01 volume  0.18280E+01 ppm1      3.410 ppm2      1.622
 ASSI (
   (( segid "    " and resid 13   and name HD1 ))
 )(
   (( segid "    " and resid 13   and name HD2 ))
 )
      2.700     2.700     0.000 peak  7787 weight  0.10000E+01 volume  0.30820E+01 ppm1      3.410 ppm2      3.270
 ASSI (
   (( segid "    " and resid 13   and name HD1 ))
 )(
   (( segid "    " and resid 13   and name HG2 ))
  OR 
   (( segid "    " and resid 13   and name HG1 ))
 )
      3.300     3.300     0.000 peak  7785 weight  0.10000E+01 volume  0.16820E+01 ppm1      3.409 ppm2      1.811
 ASSI (
   (( segid "    " and resid 13   and name HD1 ))
 )(
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )
      6.000     6.000     0.000 peak  7789 weight  0.10000E+01 volume  0.24400E+00 ppm1      3.409 ppm2      6.233
 ASSI (
   (( segid "    " and resid 13   and name HD2 ))
 )(
   (( segid "    " and resid 12   and name HA  ))
 )
      5.000     5.000     0.000 peak  5513 weight  0.10000E+01 volume  0.13750E+01 ppm1      3.262 ppm2      4.618
 ASSI (
   (( segid "    " and resid 13   and name HD2 ))
 )(
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5510 weight  0.10000E+01 volume  0.12530E+01 ppm1      3.264 ppm2      1.176
 ASSI (
   (( segid "    " and resid 13   and name HD2 ))
 )(
   (( segid "    " and resid 13   and name HG2 ))
  OR 
   (( segid "    " and resid 13   and name HG1 ))
 )
      5.000     5.000     0.000 peak  7786 weight  0.10000E+01 volume  0.71600E+00 ppm1      3.263 ppm2      1.799
 ASSI (
   (( segid "    " and resid 13   and name HD2 ))
 )(
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )
      6.000     6.000     0.000 peak  7792 weight  0.10000E+01 volume  0.22400E+00 ppm1      3.264 ppm2      6.227
 ASSI (
   (( segid "    " and resid 14   and name HA  ))
 )(
   (( segid "    " and resid 14   and name HB2 ))
 )
      5.000     5.000     0.000 peak  7793 weight  0.10000E+01 volume  0.12450E+01 ppm1      4.085 ppm2      1.573
 ASSI (
   (( segid "    " and resid 14   and name HA  ))
 )(
   (( segid "    " and resid 14   and name HG2 ))
  OR 
   (( segid "    " and resid 14   and name HG1 ))
 )
      5.000     5.000     0.000 peak  7794 weight  0.10000E+01 volume  0.11770E+01 ppm1      4.085 ppm2      2.251
 ASSI (
   (( segid "    " and resid 14   and name HA  ))
 )(
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )
      5.000     5.000     0.000 peak  4859 weight  0.10000E+01 volume  0.42800E+00 ppm1      4.082 ppm2      1.105
 ASSI (
   (( segid "    " and resid 14   and name HB1 ))
 )(
   (( segid "    " and resid 14   and name HA  ))
 )
      5.000     5.000     0.000 peak  5243 weight  0.10000E+01 volume  0.13000E+01 ppm1      1.851 ppm2      4.095
 ASSI (
   (( segid "    " and resid 14   and name HB1 ))
 )(
   (( segid "    " and resid 14   and name HN  ))
 )
      5.000     5.000     0.000 peak  6199 weight  0.10000E+01 volume  0.88200E+00 ppm1      1.852 ppm2      8.216
 ASSI (
   (( segid "    " and resid 14   and name HB2 ))
 )(
   (( segid "    " and resid 14   and name HB1 ))
 )
      2.700     2.700     0.000 peak  7795 weight  0.10000E+01 volume  0.77510E+01 ppm1      1.559 ppm2      1.861
 ASSI (
   (( segid "    " and resid 14   and name HG2 ))
  OR 
   (( segid "    " and resid 14   and name HG1 ))
 )(
   (( segid "    " and resid 14   and name HN  ))
 )
      5.000     5.000     0.000 peak  6201 weight  0.10000E+01 volume  0.75600E+00 ppm1      2.238 ppm2      8.216
 ASSI (
   (( segid "    " and resid 14   and name HG2 ))
  OR 
   (( segid "    " and resid 14   and name HG1 ))
 )(
   (( segid "    " and resid 31   and name HA  ))
 )
      5.000     5.000     0.000 peak  4915 weight  0.10000E+01 volume  0.35300E+00 ppm1      2.239 ppm2      4.794
 ASSI (
   (( segid "    " and resid 14   and name HG2 ))
  OR 
   (( segid "    " and resid 14   and name HG1 ))
 )(
   (( segid "    " and resid 32   and name HB  ))
 )
      5.000     5.000     0.000 peak  5268 weight  0.10000E+01 volume  0.81400E+00 ppm1      2.238 ppm2      3.953
 ASSI (
   (( segid "    " and resid 14   and name HG2 ))
  OR 
   (( segid "    " and resid 14   and name HG1 ))
 )(
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )
      5.000     5.000     0.000 peak  5514 weight  0.10000E+01 volume  0.12980E+01 ppm1      2.237 ppm2      1.114
 ASSI (
   (( segid "    " and resid 15   and name HB1 ))
 )(
   (( segid "    " and resid 14   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5233 weight  0.10000E+01 volume  0.45400E+00 ppm1      2.692 ppm2      1.579
 ASSI (
   (( segid "    " and resid 15   and name HB1 ))
 )(
   (( segid "    " and resid 15   and name HA  ))
 )
      3.300     3.300     0.000 peak  7802 weight  0.10000E+01 volume  0.18990E+01 ppm1      2.692 ppm2      4.563
 ASSI (
   (( segid "    " and resid 15   and name HB1 ))
 )(
   (( segid "    " and resid 16   and name HN  ))
 )
      5.000     5.000     0.000 peak  5826 weight  0.10000E+01 volume  0.44000E+00 ppm1      2.692 ppm2      7.806
 ASSI (
   (( segid "    " and resid 15   and name HB2 ))
 )(
   (( segid "    " and resid 14   and name HB2 ))
 )
      5.000     5.000     0.000 peak  7804 weight  0.10000E+01 volume  0.41200E+00 ppm1      2.480 ppm2      1.576
 ASSI (
   (( segid "    " and resid 15   and name HB2 ))
 )(
   (( segid "    " and resid 15   and name HA  ))
 )
      5.000     5.000     0.000 peak  7803 weight  0.10000E+01 volume  0.14290E+01 ppm1      2.480 ppm2      4.565
 ASSI (
   (( segid "    " and resid 15   and name HB2 ))
 )(
   (( segid "    " and resid 16   and name HN  ))
 )
      6.000     6.000     0.000 peak  7801 weight  0.10000E+01 volume  0.27900E+00 ppm1      2.477 ppm2      7.815
 ASSI (
   (( segid "    " and resid 16   and name HA  ))
 )(
   (( segid "    " and resid 16   and name HB  ))
 )
      3.300     3.300     0.000 peak  7809 weight  0.10000E+01 volume  0.16240E+01 ppm1      4.111 ppm2      1.907
 ASSI (
   (( segid "    " and resid 16   and name HA  ))
 )(
   (( segid "    " and resid 16   and name HG11))
 )
      5.000     5.000     0.000 peak  7808 weight  0.10000E+01 volume  0.48100E+00 ppm1      4.113 ppm2      1.355
 ASSI (
   (( segid "    " and resid 16   and name HA  ))
 )(
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      3.300     3.300     0.000 peak  7806 weight  0.10000E+01 volume  0.24740E+01 ppm1      4.114 ppm2      0.836
 ASSI (
   (( segid "    " and resid 16   and name HA  ))
 )(
   (( segid "    " and resid 17   and name HN  ))
 )
      3.300     3.300     0.000 peak  6215 weight  0.10000E+01 volume  0.17270E+01 ppm1      4.113 ppm2      8.199
 ASSI (
   (( segid "    " and resid 16   and name HB  ))
 )(
   (( segid "    " and resid 16   and name HG11))
 )
      5.000     5.000     0.000 peak  7814 weight  0.10000E+01 volume  0.13240E+01 ppm1      1.897 ppm2      1.360
 ASSI (
   (( segid "    " and resid 16   and name HB  ))
 )(
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      2.700     2.700     0.000 peak  7812 weight  0.10000E+01 volume  0.41910E+01 ppm1      1.897 ppm2      0.827
 ASSI (
   (( segid "    " and resid 16   and name HB  ))
 )(
   (( segid "    " and resid 17   and name HN  ))
 )
      5.000     5.000     0.000 peak  5832 weight  0.10000E+01 volume  0.91000E+00 ppm1      1.895 ppm2      8.204
 ASSI (
   (( segid "    " and resid 16   and name HD13))
  OR 
   (( segid "    " and resid 16   and name HD12))
  OR 
   (( segid "    " and resid 16   and name HD11))
 )(
   (( segid "    " and resid 16   and name HA  ))
 )
      5.000     5.000     0.000 peak  7825 weight  0.10000E+01 volume  0.51800E+00 ppm1      0.776 ppm2      4.127
 ASSI (
   (( segid "    " and resid 16   and name HD13))
  OR 
   (( segid "    " and resid 16   and name HD12))
  OR 
   (( segid "    " and resid 16   and name HD11))
 )(
   (( segid "    " and resid 16   and name HB  ))
 )
      5.000     5.000     0.000 peak  7823 weight  0.10000E+01 volume  0.13980E+01 ppm1      0.778 ppm2      1.915
 ASSI (
   (( segid "    " and resid 16   and name HD13))
  OR 
   (( segid "    " and resid 16   and name HD12))
  OR 
   (( segid "    " and resid 16   and name HD11))
 )(
   (( segid "    " and resid 16   and name HN  ))
 )
      5.000     5.000     0.000 peak  7828 weight  0.10000E+01 volume  0.31500E+00 ppm1      0.775 ppm2      7.809
 ASSI (
   (( segid "    " and resid 16   and name HD13))
  OR 
   (( segid "    " and resid 16   and name HD12))
  OR 
   (( segid "    " and resid 16   and name HD11))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7826 weight  0.10000E+01 volume  0.48300E+00 ppm1      0.776 ppm2      7.213
 ASSI (
   (( segid "    " and resid 16   and name HG11))
 )(
   (( segid "    " and resid 16   and name HN  ))
 )
      5.000     5.000     0.000 peak  7820 weight  0.10000E+01 volume  0.14150E+01 ppm1      1.341 ppm2      7.813
 ASSI (
   (( segid "    " and resid 16   and name HG11))
 )(
   (( segid "    " and resid 17   and name HN  ))
 )
      5.000     5.000     0.000 peak  6213 weight  0.10000E+01 volume  0.90700E+00 ppm1      1.341 ppm2      8.196
 ASSI (
   (( segid "    " and resid 16   and name HG12))
 )(
   (( segid "    " and resid 16   and name HA  ))
 )
      5.000     5.000     0.000 peak  7821 weight  0.10000E+01 volume  0.73400E+00 ppm1      1.090 ppm2      4.125
 ASSI (
   (( segid "    " and resid 16   and name HG12))
 )(
   (( segid "    " and resid 16   and name HN  ))
 )
      5.000     5.000     0.000 peak  7819 weight  0.10000E+01 volume  0.88300E+00 ppm1      1.090 ppm2      7.814
 ASSI (
   (( segid "    " and resid 16   and name HG12))
 )(
   (( segid "    " and resid 17   and name HN  ))
 )
      5.000     5.000     0.000 peak  7818 weight  0.10000E+01 volume  0.34500E+00 ppm1      1.090 ppm2      8.196
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 16   and name HN  ))
 )
      5.000     5.000     0.000 peak  7834 weight  0.10000E+01 volume  0.11100E+01 ppm1      0.828 ppm2      7.818
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 17   and name HN  ))
 )
      5.000     5.000     0.000 peak  5834 weight  0.10000E+01 volume  0.82100E+00 ppm1      0.826 ppm2      8.197
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 18   and name HN  ))
 )
      5.000     5.000     0.000 peak  7835 weight  0.10000E+01 volume  0.37300E+00 ppm1      0.827 ppm2      8.055
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )
      6.000     6.000     0.000 peak  7833 weight  0.10000E+01 volume  0.16000E+00 ppm1      0.825 ppm2      7.296
 ASSI (
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7831 weight  0.10000E+01 volume  0.36500E+00 ppm1      0.828 ppm2      7.207
 ASSI (
   (( segid "    " and resid 17   and name HA  ))
 )(
   (( segid "    " and resid 17   and name HG23))
  OR 
   (( segid "    " and resid 17   and name HG22))
  OR 
   (( segid "    " and resid 17   and name HG21))
 )
      2.700     2.700     0.000 peak  7836 weight  0.10000E+01 volume  0.41490E+01 ppm1      4.338 ppm2      1.148
 ASSI (
   (( segid "    " and resid 17   and name HA  ))
 )(
   (( segid "    " and resid 18   and name HN  ))
 )
      2.700     2.700     0.000 peak  6222 weight  0.10000E+01 volume  0.38490E+01 ppm1      4.337 ppm2      8.055
 ASSI (
   (( segid "    " and resid 17   and name HB  ))
 )(
   (( segid "    " and resid 17   and name HN  ))
 )
      5.000     5.000     0.000 peak  7837 weight  0.10000E+01 volume  0.10850E+01 ppm1      4.171 ppm2      8.209
 ASSI (
   (( segid "    " and resid 17   and name HB  ))
 )(
   (( segid "    " and resid 18   and name HD23))
  OR 
   (( segid "    " and resid 18   and name HD22))
  OR 
   (( segid "    " and resid 18   and name HD21))
 )
      6.000     6.000     0.000 peak  7839 weight  0.10000E+01 volume  0.28900E+00 ppm1      4.169 ppm2      0.867
 ASSI (
   (( segid "    " and resid 17   and name HB  ))
 )(
   (( segid "    " and resid 18   and name HN  ))
 )
      5.000     5.000     0.000 peak  5836 weight  0.10000E+01 volume  0.83300E+00 ppm1      4.169 ppm2      8.070
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 18   and name HB2 ))
 )
      3.300     3.300     0.000 peak  7841 weight  0.10000E+01 volume  0.17010E+01 ppm1      4.413 ppm2      1.628
 ASSI (
   (( segid "    " and resid 18   and name HA  ))
 )(
   (( segid "    " and resid 18   and name HN  ))
 )
      2.700     2.700     0.000 peak  6226 weight  0.10000E+01 volume  0.32790E+01 ppm1      4.411 ppm2      8.083
 ASSI (
   (( segid "    " and resid 18   and name HB1 ))
 )(
   (( segid "    " and resid 18   and name HA  ))
 )
      3.300     3.300     0.000 peak  7843 weight  0.10000E+01 volume  0.24020E+01 ppm1      1.692 ppm2      4.420
 ASSI (
   (( segid "    " and resid 18   and name HB1 ))
 )(
   (( segid "    " and resid 18   and name HD23))
  OR 
   (( segid "    " and resid 18   and name HD22))
  OR 
   (( segid "    " and resid 18   and name HD21))
 )
      2.700     2.700     0.000 peak  7851 weight  0.10000E+01 volume  0.47610E+01 ppm1      1.697 ppm2      0.871
 ASSI (
   (( segid "    " and resid 18   and name HB1 ))
 )(
   (( segid "    " and resid 20   and name HN  ))
 )
      6.000     6.000     0.000 peak  7846 weight  0.10000E+01 volume  0.27700E+00 ppm1      1.690 ppm2      7.674
 ASSI (
   (( segid "    " and resid 18   and name HB2 ))
 )(
   (( segid "    " and resid 18   and name HD13))
  OR 
   (( segid "    " and resid 18   and name HD12))
  OR 
   (( segid "    " and resid 18   and name HD11))
 )
      2.700     2.700     0.000 peak  7850 weight  0.10000E+01 volume  0.44690E+01 ppm1      1.636 ppm2      0.878
 ASSI (
   (( segid "    " and resid 18   and name HB2 ))
 )(
   (( segid "    " and resid 20   and name HN  ))
 )
      6.000     6.000     0.000 peak  7847 weight  0.10000E+01 volume  0.28000E+00 ppm1      1.639 ppm2      7.677
 ASSI (
   (( segid "    " and resid 18   and name HD13))
  OR 
   (( segid "    " and resid 18   and name HD12))
  OR 
   (( segid "    " and resid 18   and name HD11))
 )(
   (( segid "    " and resid 18   and name HA  ))
 )
      5.000     5.000     0.000 peak  7859 weight  0.10000E+01 volume  0.42100E+00 ppm1      0.888 ppm2      4.435
 ASSI (
   (( segid "    " and resid 18   and name HD13))
  OR 
   (( segid "    " and resid 18   and name HD12))
  OR 
   (( segid "    " and resid 18   and name HD11))
 )(
   (( segid "    " and resid 19   and name HN  ))
 )
      5.000     5.000     0.000 peak  7862 weight  0.10000E+01 volume  0.31900E+00 ppm1      0.889 ppm2      8.082
 ASSI (
   (( segid "    " and resid 18   and name HD13))
  OR 
   (( segid "    " and resid 18   and name HD12))
  OR 
   (( segid "    " and resid 18   and name HD11))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7860 weight  0.10000E+01 volume  0.53200E+00 ppm1      0.888 ppm2      7.209
 ASSI (
   (( segid "    " and resid 18   and name HD23))
  OR 
   (( segid "    " and resid 18   and name HD22))
  OR 
   (( segid "    " and resid 18   and name HD21))
 )(
   (( segid "    " and resid 17   and name HN  ))
 )
      6.000     6.000     0.000 peak  7855 weight  0.10000E+01 volume  0.14800E+00 ppm1      0.852 ppm2      8.192
 ASSI (
   (( segid "    " and resid 18   and name HD23))
  OR 
   (( segid "    " and resid 18   and name HD22))
  OR 
   (( segid "    " and resid 18   and name HD21))
 )(
   (( segid "    " and resid 18   and name HA  ))
 )
      3.300     3.300     0.000 peak  7852 weight  0.10000E+01 volume  0.23130E+01 ppm1      0.851 ppm2      4.421
 ASSI (
   (( segid "    " and resid 18   and name HD23))
  OR 
   (( segid "    " and resid 18   and name HD22))
  OR 
   (( segid "    " and resid 18   and name HD21))
 )(
   (( segid "    " and resid 19   and name HN  ))
 )
      5.000     5.000     0.000 peak  5842 weight  0.10000E+01 volume  0.61300E+00 ppm1      0.852 ppm2      8.088
 ASSI (
   (( segid "    " and resid 18   and name HD23))
  OR 
   (( segid "    " and resid 18   and name HD22))
  OR 
   (( segid "    " and resid 18   and name HD21))
 )(
   (( segid "    " and resid 20   and name HN  ))
 )
      6.000     6.000     0.000 peak  7854 weight  0.10000E+01 volume  0.13000E+00 ppm1      0.852 ppm2      7.678
 ASSI (
   (( segid "    " and resid 19   and name HA  ))
 )(
   (( segid "    " and resid 19   and name HG23))
  OR 
   (( segid "    " and resid 19   and name HG22))
  OR 
   (( segid "    " and resid 19   and name HG21))
 )
      2.700     2.700     0.000 peak  7863 weight  0.10000E+01 volume  0.55560E+01 ppm1      4.274 ppm2      1.131
 ASSI (
   (( segid "    " and resid 19   and name HA  ))
 )(
   (( segid "    " and resid 19   and name HN  ))
 )
      3.300     3.300     0.000 peak  6228 weight  0.10000E+01 volume  0.23350E+01 ppm1      4.272 ppm2      8.087
 ASSI (
   (( segid "    " and resid 19   and name HA  ))
 )(
   (( segid "    " and resid 20   and name HN  ))
 )
      5.000     5.000     0.000 peak  7864 weight  0.10000E+01 volume  0.11760E+01 ppm1      4.273 ppm2      7.679
 ASSI (
   (( segid "    " and resid 19   and name HB  ))
 )(
   (( segid "    " and resid 19   and name HN  ))
 )
      5.000     5.000     0.000 peak  7866 weight  0.10000E+01 volume  0.45700E+00 ppm1      4.296 ppm2      8.089
 ASSI (
   (( segid "    " and resid 19   and name HB  ))
 )(
   (( segid "    " and resid 20   and name HN  ))
 )
      6.000     6.000     0.000 peak  7865 weight  0.10000E+01 volume  0.26600E+00 ppm1      4.295 ppm2      7.677
 ASSI (
   (( segid "    " and resid 19   and name HG23))
  OR 
   (( segid "    " and resid 19   and name HG22))
  OR 
   (( segid "    " and resid 19   and name HG21))
 )(
   (( segid "    " and resid 18   and name HN  ))
 )
      3.300     3.300     0.000 peak  5838 weight  0.10000E+01 volume  0.24490E+01 ppm1      1.121 ppm2      8.076
 ASSI (
   (( segid "    " and resid 19   and name HG23))
  OR 
   (( segid "    " and resid 19   and name HG22))
  OR 
   (( segid "    " and resid 19   and name HG21))
 )(
   (( segid "    " and resid 20   and name HN  ))
 )
      5.000     5.000     0.000 peak  6315 weight  0.10000E+01 volume  0.46600E+00 ppm1      1.119 ppm2      7.679
 ASSI (
   (( segid "    " and resid 20   and name HA  ))
 )(
   (( segid "    " and resid 20   and name HB2 ))
  OR 
   (( segid "    " and resid 20   and name HB1 ))
 )
      2.700     2.700     0.000 peak  7868 weight  0.10000E+01 volume  0.33960E+01 ppm1      4.252 ppm2      1.743
 ASSI (
   (( segid "    " and resid 20   and name HA  ))
 )(
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HG1 ))
 )
      3.300     3.300     0.000 peak  7867 weight  0.10000E+01 volume  0.23690E+01 ppm1      4.252 ppm2      2.036
 ASSI (
   (( segid "    " and resid 20   and name HA  ))
 )(
   (( segid "    " and resid 21   and name HN  ))
 )
      2.700     2.700     0.000 peak  6240 weight  0.10000E+01 volume  0.49660E+01 ppm1      4.251 ppm2      8.145
 ASSI (
   (( segid "    " and resid 20   and name HA  ))
 )(
   (( segid "    " and resid 22   and name HN  ))
 )
      5.000     5.000     0.000 peak  6470 weight  0.10000E+01 volume  0.69500E+00 ppm1      4.252 ppm2      7.316
 ASSI (
   (( segid "    " and resid 20   and name HB2 ))
  OR 
   (( segid "    " and resid 20   and name HB1 ))
 )(
   (( segid "    " and resid 22   and name HN  ))
 )
      5.000     5.000     0.000 peak  6316 weight  0.10000E+01 volume  0.12130E+01 ppm1      1.721 ppm2      7.304
 ASSI (
   (( segid "    " and resid 20   and name HB2 ))
  OR 
   (( segid "    " and resid 20   and name HB1 ))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7869 weight  0.10000E+01 volume  0.10090E+01 ppm1      1.722 ppm2      7.214
 ASSI (
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HG1 ))
 )(
   (( segid "    " and resid 19   and name HG23))
  OR 
   (( segid "    " and resid 19   and name HG22))
  OR 
   (( segid "    " and resid 19   and name HG21))
 )
      5.000     5.000     0.000 peak  7875 weight  0.10000E+01 volume  0.69600E+00 ppm1      2.031 ppm2      1.119
 ASSI (
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HG1 ))
 )(
   (( segid "    " and resid 20   and name HN  ))
 )
      5.000     5.000     0.000 peak  6233 weight  0.10000E+01 volume  0.12980E+01 ppm1      2.030 ppm2      7.680
 ASSI (
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HG1 ))
 )(
   (( segid "    " and resid 21   and name HN  ))
 )
      5.000     5.000     0.000 peak  5849 weight  0.10000E+01 volume  0.10480E+01 ppm1      2.029 ppm2      8.146
 ASSI (
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HG1 ))
 )(
   (( segid "    " and resid 22   and name HN  ))
 )
      5.000     5.000     0.000 peak  5856 weight  0.10000E+01 volume  0.66500E+00 ppm1      2.032 ppm2      7.322
 ASSI (
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HG1 ))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7872 weight  0.10000E+01 volume  0.54600E+00 ppm1      2.030 ppm2      7.210
 ASSI (
   (( segid "    " and resid 21   and name HB  ))
 )(
   (( segid "    " and resid 4    and name HG1 ))
 )
      5.000     5.000     0.000 peak  5261 weight  0.10000E+01 volume  0.43700E+00 ppm1      4.272 ppm2      2.189
 ASSI (
   (( segid "    " and resid 21   and name HB  ))
 )(
   (( segid "    " and resid 4    and name HG2 ))
 )
      5.000     5.000     0.000 peak  5259 weight  0.10000E+01 volume  0.55800E+00 ppm1      4.271 ppm2      2.065
 ASSI (
   (( segid "    " and resid 21   and name HB  ))
 )(
   (( segid "    " and resid 21   and name HG1 ))
 )
      5.000     5.000     0.000 peak  5411 weight  0.10000E+01 volume  0.13490E+01 ppm1      4.264 ppm2      4.640
 ASSI (
   (( segid "    " and resid 21   and name HB  ))
 )(
   (( segid "    " and resid 21   and name HN  ))
 )
      5.000     5.000     0.000 peak  7876 weight  0.10000E+01 volume  0.76800E+00 ppm1      4.270 ppm2      8.148
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
 )(
   (( segid "    " and resid 22   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HB1 ))
 )
      2.700     2.700     0.000 peak  7884 weight  0.10000E+01 volume  0.45930E+01 ppm1      4.935 ppm2      1.529
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
 )(
   (( segid "    " and resid 22   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7880 weight  0.10000E+01 volume  0.46400E+00 ppm1      4.933 ppm2      3.108
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
 )(
   (( segid "    " and resid 22   and name HD2 ))
 )
      5.000     5.000     0.000 peak  7883 weight  0.10000E+01 volume  0.50700E+00 ppm1      4.933 ppm2      3.048
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
 )(
   (( segid "    " and resid 22   and name HN  ))
 )
      3.300     3.300     0.000 peak  6245 weight  0.10000E+01 volume  0.23480E+01 ppm1      4.932 ppm2      7.327
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
 )(
   (( segid "    " and resid 23   and name HN  ))
 )
      3.300     3.300     0.000 peak  5777 weight  0.10000E+01 volume  0.25670E+01 ppm1      4.933 ppm2      8.841
 ASSI (
   (( segid "    " and resid 22   and name HA  ))
 )(
   (( segid "    " and resid 24   and name HN  ))
 )
      6.000     6.000     0.000 peak  7877 weight  0.10000E+01 volume  0.29400E+00 ppm1      4.933 ppm2      8.530
 ASSI (
   (( segid "    " and resid 22   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HB1 ))
 )(
   (( segid "    " and resid 1    and name HB1 ))
 )
      5.000     5.000     0.000 peak  7888 weight  0.10000E+01 volume  0.34100E+00 ppm1      1.527 ppm2      2.751
 ASSI (
   (( segid "    " and resid 22   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HB1 ))
 )(
   (( segid "    " and resid 23   and name HN  ))
 )
      5.000     5.000     0.000 peak  5868 weight  0.10000E+01 volume  0.66100E+00 ppm1      1.527 ppm2      8.837
 ASSI (
   (( segid "    " and resid 22   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HB1 ))
 )(
   (( segid "    " and resid 54   and name HZ2 ))
 )
      6.000     6.000     0.000 peak  8384 weight  0.10000E+01 volume  0.11700E+00 ppm1      1.527 ppm2      6.933
 ASSI (
   (( segid "    " and resid 22   and name HG1 ))
 )(
   (( segid "    " and resid 22   and name HA  ))
 )
      3.300     3.300     0.000 peak  5538 weight  0.10000E+01 volume  0.15670E+01 ppm1      1.515 ppm2      4.946
 ASSI (
   (( segid "    " and resid 22   and name HG1 ))
 )(
   (( segid "    " and resid 23   and name HN  ))
 )
      5.000     5.000     0.000 peak  5861 weight  0.10000E+01 volume  0.68400E+00 ppm1      1.515 ppm2      8.851
 ASSI (
   (( segid "    " and resid 22   and name HG2 ))
 )(
   (( segid "    " and resid 22   and name HA  ))
 )
      3.300     3.300     0.000 peak  5539 weight  0.10000E+01 volume  0.15690E+01 ppm1      1.460 ppm2      4.946
 ASSI (
   (( segid "    " and resid 22   and name HG2 ))
 )(
   (( segid "    " and resid 23   and name HN  ))
 )
      5.000     5.000     0.000 peak  7891 weight  0.10000E+01 volume  0.55900E+00 ppm1      1.456 ppm2      8.847
 ASSI (
   (( segid "    " and resid 23   and name HB1 ))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      5.000     5.000     0.000 peak  7893 weight  0.10000E+01 volume  0.99700E+00 ppm1      3.025 ppm2      4.674
 ASSI (
   (( segid "    " and resid 23   and name HB1 ))
 )(
   (( segid "    " and resid 23   and name HB2 ))
 )
      3.300     3.300     0.000 peak  7898 weight  0.10000E+01 volume  0.24830E+01 ppm1      3.024 ppm2      2.714
 ASSI (
   (( segid "    " and resid 23   and name HB1 ))
 )(
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5917 weight  0.10000E+01 volume  0.99000E+00 ppm1      3.023 ppm2      7.315
 ASSI (
   (( segid "    " and resid 23   and name HB1 ))
 )(
   (( segid "    " and resid 23   and name HN  ))
 )
      5.000     5.000     0.000 peak  6318 weight  0.10000E+01 volume  0.38700E+00 ppm1      3.024 ppm2      8.834
 ASSI (
   (( segid "    " and resid 23   and name HB1 ))
 )(
   (( segid "    " and resid 24   and name HN  ))
 )
      5.000     5.000     0.000 peak  6324 weight  0.10000E+01 volume  0.38500E+00 ppm1      3.024 ppm2      8.552
 ASSI (
   (( segid "    " and resid 23   and name HB1 ))
 )(
   (( segid "    " and resid 27   and name HB  ))
 )
      6.000     6.000     0.000 peak  7894 weight  0.10000E+01 volume  0.16300E+00 ppm1      3.024 ppm2      4.022
 ASSI (
   (( segid "    " and resid 23   and name HB1 ))
 )(
   (( segid "    " and resid 54   and name HH2 ))
 )
      5.000     5.000     0.000 peak  7242 weight  0.10000E+01 volume  0.32000E+00 ppm1      3.024 ppm2      6.248
 ASSI (
   (( segid "    " and resid 23   and name HB1 ))
 )(
   (( segid "    " and resid 54   and name HZ2 ))
 )
      5.000     5.000     0.000 peak  6740 weight  0.10000E+01 volume  0.43400E+00 ppm1      3.024 ppm2      6.949
 ASSI (
   (( segid "    " and resid 23   and name HB2 ))
 )(
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5301 weight  0.10000E+01 volume  0.86200E+00 ppm1      2.713 ppm2      7.314
 ASSI (
   (( segid "    " and resid 23   and name HB2 ))
 )(
   (( segid "    " and resid 23   and name HN  ))
 )
      5.000     5.000     0.000 peak  5302 weight  0.10000E+01 volume  0.53600E+00 ppm1      2.713 ppm2      8.833
 ASSI (
   (( segid "    " and resid 23   and name HB2 ))
 )(
   (( segid "    " and resid 54   and name HH2 ))
 )
      6.000     6.000     0.000 peak  7364 weight  0.10000E+01 volume  0.22900E+00 ppm1      2.714 ppm2      6.244
 ASSI (
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )(
   (( segid "    " and resid 22   and name HA  ))
 )
      5.000     5.000     0.000 peak  7899 weight  0.10000E+01 volume  0.33000E+00 ppm1      7.315 ppm2      4.935
 ASSI (
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      5.000     5.000     0.000 peak  7900 weight  0.10000E+01 volume  0.61300E+00 ppm1      7.315 ppm2      4.673
 ASSI (
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )
      3.300     3.300     0.000 peak  7391 weight  0.10000E+01 volume  0.27590E+01 ppm1      7.316 ppm2      7.209
 ASSI (
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )(
   (( segid "    " and resid 54   and name HH2 ))
 )
      6.000     6.000     0.000 peak  6710 weight  0.10000E+01 volume  0.15500E+00 ppm1      7.316 ppm2      6.244
 ASSI (
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )(
   (( segid "    " and resid 54   and name HZ2 ))
 )
      5.000     5.000     0.000 peak  6701 weight  0.10000E+01 volume  0.56000E+00 ppm1      7.316 ppm2      6.947
 ASSI (
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )(
   (( segid "    " and resid 4    and name HA  ))
 )
      6.000     6.000     0.000 peak  7903 weight  0.10000E+01 volume  0.29500E+00 ppm1      7.210 ppm2      4.660
 ASSI (
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )(
   (( segid "    " and resid 16   and name HD13))
  OR 
   (( segid "    " and resid 16   and name HD12))
  OR 
   (( segid "    " and resid 16   and name HD11))
 )
      5.000     5.000     0.000 peak  7827 weight  0.10000E+01 volume  0.43900E+00 ppm1      7.208 ppm2      0.776
 ASSI (
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )(
   (( segid "    " and resid 22   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7904 weight  0.10000E+01 volume  0.30600E+00 ppm1      7.211 ppm2      1.527
 ASSI (
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )(
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )
      2.700     2.700     0.000 peak  7491 weight  0.10000E+01 volume  0.36440E+01 ppm1      7.210 ppm2      7.317
 ASSI (
   (( segid "    " and resid 24   and name HA  ))
 )(
   (( segid "    " and resid 24   and name HB2 ))
  OR 
   (( segid "    " and resid 24   and name HB1 ))
 )
      3.300     3.300     0.000 peak  4895 weight  0.10000E+01 volume  0.24230E+01 ppm1      4.382 ppm2      1.748
 ASSI (
   (( segid "    " and resid 24   and name HB1 ))
 )(
   (( segid "    " and resid 24   and name HA  ))
 )
      3.300     3.300     0.000 peak  7911 weight  0.10000E+01 volume  0.23980E+01 ppm1      1.773 ppm2      4.394
 ASSI (
   (( segid "    " and resid 24   and name HB1 ))
 )(
   (( segid "    " and resid 24   and name HE2 ))
  OR 
   (( segid "    " and resid 24   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7913 weight  0.10000E+01 volume  0.67600E+00 ppm1      1.771 ppm2      2.986
 ASSI (
   (( segid "    " and resid 24   and name HB1 ))
 )(
   (( segid "    " and resid 25   and name HN  ))
 )
      3.300     3.300     0.000 peak  5872 weight  0.10000E+01 volume  0.20310E+01 ppm1      1.771 ppm2      8.575
 ASSI (
   (( segid "    " and resid 24   and name HB2 ))
 )(
   (( segid "    " and resid 24   and name HA  ))
 )
      3.300     3.300     0.000 peak  7912 weight  0.10000E+01 volume  0.22540E+01 ppm1      1.715 ppm2      4.393
 ASSI (
   (( segid "    " and resid 24   and name HB2 ))
 )(
   (( segid "    " and resid 24   and name HE2 ))
  OR 
   (( segid "    " and resid 24   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7914 weight  0.10000E+01 volume  0.47800E+00 ppm1      1.714 ppm2      2.985
 ASSI (
   (( segid "    " and resid 24   and name HB2 ))
 )(
   (( segid "    " and resid 25   and name HN  ))
 )
      3.300     3.300     0.000 peak  5264 weight  0.10000E+01 volume  0.20060E+01 ppm1      1.714 ppm2      8.575
 ASSI (
   (( segid "    " and resid 24   and name HE2 ))
  OR 
   (( segid "    " and resid 24   and name HE1 ))
 )(
   (( segid "    " and resid 24   and name HN  ))
 )
      5.000     5.000     0.000 peak  7921 weight  0.10000E+01 volume  0.43900E+00 ppm1      2.971 ppm2      8.563
 ASSI (
   (( segid "    " and resid 24   and name HG1 ))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      5.000     5.000     0.000 peak  7915 weight  0.10000E+01 volume  0.33400E+00 ppm1      1.501 ppm2      4.668
 ASSI (
   (( segid "    " and resid 24   and name HG1 ))
 )(
   (( segid "    " and resid 24   and name HA  ))
 )
      5.000     5.000     0.000 peak  7917 weight  0.10000E+01 volume  0.68500E+00 ppm1      1.502 ppm2      4.394
 ASSI (
   (( segid "    " and resid 24   and name HG1 ))
 )(
   (( segid "    " and resid 24   and name HE2 ))
  OR 
   (( segid "    " and resid 24   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7919 weight  0.10000E+01 volume  0.10450E+01 ppm1      1.502 ppm2      2.986
 ASSI (
   (( segid "    " and resid 24   and name HG2 ))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      5.000     5.000     0.000 peak  7916 weight  0.10000E+01 volume  0.33800E+00 ppm1      1.426 ppm2      4.669
 ASSI (
   (( segid "    " and resid 24   and name HG2 ))
 )(
   (( segid "    " and resid 24   and name HA  ))
 )
      5.000     5.000     0.000 peak  7918 weight  0.10000E+01 volume  0.67700E+00 ppm1      1.427 ppm2      4.394
 ASSI (
   (( segid "    " and resid 24   and name HG2 ))
 )(
   (( segid "    " and resid 24   and name HE2 ))
  OR 
   (( segid "    " and resid 24   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7920 weight  0.10000E+01 volume  0.10320E+01 ppm1      1.428 ppm2      2.985
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 25   and name HB  ))
 )
      5.000     5.000     0.000 peak  7922 weight  0.10000E+01 volume  0.12490E+01 ppm1      3.515 ppm2      3.793
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 25   and name HN  ))
 )
      5.000     5.000     0.000 peak  6260 weight  0.10000E+01 volume  0.60300E+00 ppm1      3.513 ppm2      8.596
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 26   and name HN  ))
 )
      3.300     3.300     0.000 peak  6331 weight  0.10000E+01 volume  0.15140E+01 ppm1      3.514 ppm2      9.169
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 48   and name HB1 ))
 )
      6.000     6.000     0.000 peak  4898 weight  0.10000E+01 volume  0.27500E+00 ppm1      3.514 ppm2      2.383
 ASSI (
   (( segid "    " and resid 25   and name HA  ))
 )(
   (( segid "    " and resid 48   and name HB2 ))
 )
      6.000     6.000     0.000 peak  4900 weight  0.10000E+01 volume  0.24200E+00 ppm1      3.514 ppm2      1.346
 ASSI (
   (( segid "    " and resid 25   and name HB  ))
 )(
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )
      2.700     2.700     0.000 peak  7925 weight  0.10000E+01 volume  0.60350E+01 ppm1      3.788 ppm2      1.046
 ASSI (
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )(
   (( segid "    " and resid 25   and name HA  ))
 )
      3.300     3.300     0.000 peak  6515 weight  0.10000E+01 volume  0.16030E+01 ppm1      1.043 ppm2      3.528
 ASSI (
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )(
   (( segid "    " and resid 25   and name HN  ))
 )
      5.000     5.000     0.000 peak  7927 weight  0.10000E+01 volume  0.78800E+00 ppm1      1.044 ppm2      8.596
 ASSI (
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )(
   (( segid "    " and resid 26   and name HN  ))
 )
      5.000     5.000     0.000 peak  5884 weight  0.10000E+01 volume  0.10960E+01 ppm1      1.040 ppm2      9.180
 ASSI (
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )(
   (( segid "    " and resid 50   and name HA  ))
 )
      2.700     2.700     0.000 peak  8337 weight  0.10000E+01 volume  0.43630E+01 ppm1      1.041 ppm2      4.128
 ASSI (
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )(
   (( segid "    " and resid 52   and name HN  ))
 )
      6.000     6.000     0.000 peak  6538 weight  0.10000E+01 volume  0.28000E+00 ppm1      1.042 ppm2      7.906
 ASSI (
   (( segid "    " and resid 26   and name HA1 ))
 )(
   (( segid "    " and resid 26   and name HA2 ))
 )
      2.700     2.700     0.000 peak  7928 weight  0.10000E+01 volume  0.44130E+01 ppm1      4.366 ppm2      3.502
 ASSI (
   (( segid "    " and resid 26   and name HA1 ))
 )(
   (( segid "    " and resid 26   and name HN  ))
 )
      5.000     5.000     0.000 peak  6333 weight  0.10000E+01 volume  0.58400E+00 ppm1      4.363 ppm2      9.168
 ASSI (
   (( segid "    " and resid 26   and name HA2 ))
 )(
   (( segid "    " and resid 26   and name HN  ))
 )
      5.000     5.000     0.000 peak  7929 weight  0.10000E+01 volume  0.64900E+00 ppm1      3.477 ppm2      9.176
 ASSI (
   (( segid "    " and resid 26   and name HA2 ))
 )(
   (( segid "    " and resid 27   and name HN  ))
 )
      6.000     6.000     0.000 peak  7930 weight  0.10000E+01 volume  0.18500E+00 ppm1      3.478 ppm2      7.868
 ASSI (
   (( segid "    " and resid 27   and name HA  ))
 )(
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )
      3.300     3.300     0.000 peak  7934 weight  0.10000E+01 volume  0.15300E+01 ppm1      4.066 ppm2      1.518
 ASSI (
   (( segid "    " and resid 27   and name HB  ))
 )(
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )
      3.300     3.300     0.000 peak  7940 weight  0.10000E+01 volume  0.15700E+01 ppm1      4.011 ppm2      1.516
 ASSI (
   (( segid "    " and resid 27   and name HB  ))
 )(
   (( segid "    " and resid 27   and name HN  ))
 )
      5.000     5.000     0.000 peak  7936 weight  0.10000E+01 volume  0.56200E+00 ppm1      4.011 ppm2      7.872
 ASSI (
   (( segid "    " and resid 27   and name HB  ))
 )(
   (( segid "    " and resid 28   and name HN  ))
 )
      5.000     5.000     0.000 peak  7935 weight  0.10000E+01 volume  0.31000E+00 ppm1      4.011 ppm2      8.734
 ASSI (
   (( segid "    " and resid 27   and name HB  ))
 )(
   (( segid "    " and resid 48   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7938 weight  0.10000E+01 volume  0.32200E+00 ppm1      4.011 ppm2      2.376
 ASSI (
   (( segid "    " and resid 27   and name HB  ))
 )(
   (( segid "    " and resid 48   and name HB2 ))
 )
      6.000     6.000     0.000 peak  7941 weight  0.10000E+01 volume  0.26900E+00 ppm1      4.012 ppm2      1.344
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 23   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5552 weight  0.10000E+01 volume  0.79500E+00 ppm1      1.507 ppm2      3.034
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7949 weight  0.10000E+01 volume  0.47200E+00 ppm1      1.508 ppm2      7.210
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 24   and name HN  ))
 )
      5.000     5.000     0.000 peak  7948 weight  0.10000E+01 volume  0.30800E+00 ppm1      1.509 ppm2      8.544
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 27   and name HN  ))
 )
      5.000     5.000     0.000 peak  6341 weight  0.10000E+01 volume  0.31500E+00 ppm1      1.508 ppm2      7.877
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 29   and name HA  ))
 )
      5.000     5.000     0.000 peak  7954 weight  0.10000E+01 volume  0.31000E+00 ppm1      1.508 ppm2      4.769
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      5.000     5.000     0.000 peak  5555 weight  0.10000E+01 volume  0.69700E+00 ppm1      1.507 ppm2      0.092
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )
      3.300     3.300     0.000 peak  5554 weight  0.10000E+01 volume  0.26620E+01 ppm1      1.509 ppm2      0.774
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 29   and name HN  ))
 )
      6.000     6.000     0.000 peak  7944 weight  0.10000E+01 volume  0.25300E+00 ppm1      1.507 ppm2      9.275
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 54   and name HH2 ))
 )
      5.000     5.000     0.000 peak  7952 weight  0.10000E+01 volume  0.10770E+01 ppm1      1.508 ppm2      6.247
 ASSI (
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )(
   (( segid "    " and resid 54   and name HZ3 ))
 )
      5.000     5.000     0.000 peak  7950 weight  0.10000E+01 volume  0.36900E+00 ppm1      1.508 ppm2      6.720
 ASSI (
   (( segid "    " and resid 28   and name HA  ))
 )(
   (( segid "    " and resid 27   and name HA  ))
 )
      6.000     6.000     0.000 peak  7960 weight  0.10000E+01 volume  0.20400E+00 ppm1      5.428 ppm2      4.070
 ASSI (
   (( segid "    " and resid 28   and name HA  ))
 )(
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )
      5.000     5.000     0.000 peak  4906 weight  0.10000E+01 volume  0.34100E+00 ppm1      5.431 ppm2      1.506
 ASSI (
   (( segid "    " and resid 28   and name HA  ))
 )(
   (( segid "    " and resid 28   and name HB  ))
 )
      5.000     5.000     0.000 peak  7961 weight  0.10000E+01 volume  0.65900E+00 ppm1      5.428 ppm2      3.957
 ASSI (
   (( segid "    " and resid 28   and name HA  ))
 )(
   (( segid "    " and resid 28   and name HN  ))
 )
      5.000     5.000     0.000 peak  5885 weight  0.10000E+01 volume  0.31400E+00 ppm1      5.428 ppm2      8.732
 ASSI (
   (( segid "    " and resid 28   and name HA  ))
 )(
   (( segid "    " and resid 29   and name HN  ))
 )
      3.300     3.300     0.000 peak  5891 weight  0.10000E+01 volume  0.18890E+01 ppm1      5.429 ppm2      9.271
 ASSI (
   (( segid "    " and resid 28   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HA  ))
 )
      5.000     5.000     0.000 peak  7958 weight  0.10000E+01 volume  0.13160E+01 ppm1      5.429 ppm2      5.589
 ASSI (
   (( segid "    " and resid 28   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HG22))
  OR 
   (( segid "    " and resid 47   and name HG21))
 )
      5.000     5.000     0.000 peak  4909 weight  0.10000E+01 volume  0.40500E+00 ppm1      5.427 ppm2      0.978
 ASSI (
   (( segid "    " and resid 28   and name HA  ))
 )(
   (( segid "    " and resid 48   and name HN  ))
 )
      5.000     5.000     0.000 peak  7956 weight  0.10000E+01 volume  0.58000E+00 ppm1      5.429 ppm2      8.506
 ASSI (
   (( segid "    " and resid 28   and name HB  ))
 )(
   (( segid "    " and resid 28   and name HG23))
  OR 
   (( segid "    " and resid 28   and name HG22))
  OR 
   (( segid "    " and resid 28   and name HG21))
 )
      2.700     2.700     0.000 peak  5269 weight  0.10000E+01 volume  0.64850E+01 ppm1      3.942 ppm2      1.145
 ASSI (
   (( segid "    " and resid 28   and name HB  ))
 )(
   (( segid "    " and resid 29   and name HN  ))
 )
      5.000     5.000     0.000 peak  5893 weight  0.10000E+01 volume  0.33500E+00 ppm1      3.943 ppm2      9.279
 ASSI (
   (( segid "    " and resid 28   and name HB  ))
 )(
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )
      5.000     5.000     0.000 peak  5271 weight  0.10000E+01 volume  0.73400E+00 ppm1      3.944 ppm2      0.904
 ASSI (
   (( segid "    " and resid 28   and name HG23))
  OR 
   (( segid "    " and resid 28   and name HG22))
  OR 
   (( segid "    " and resid 28   and name HG21))
 )(
   (( segid "    " and resid 28   and name HA  ))
 )
      3.300     3.300     0.000 peak  7967 weight  0.10000E+01 volume  0.15590E+01 ppm1      1.135 ppm2      5.429
 ASSI (
   (( segid "    " and resid 28   and name HG23))
  OR 
   (( segid "    " and resid 28   and name HG22))
  OR 
   (( segid "    " and resid 28   and name HG21))
 )(
   (( segid "    " and resid 28   and name HN  ))
 )
      5.000     5.000     0.000 peak  6359 weight  0.10000E+01 volume  0.55200E+00 ppm1      1.136 ppm2      8.733
 ASSI (
   (( segid "    " and resid 28   and name HG23))
  OR 
   (( segid "    " and resid 28   and name HG22))
  OR 
   (( segid "    " and resid 28   and name HG21))
 )(
   (( segid "    " and resid 29   and name HN  ))
 )
      5.000     5.000     0.000 peak  5896 weight  0.10000E+01 volume  0.79100E+00 ppm1      1.135 ppm2      9.277
 ASSI (
   (( segid "    " and resid 28   and name HG23))
  OR 
   (( segid "    " and resid 28   and name HG22))
  OR 
   (( segid "    " and resid 28   and name HG21))
 )(
   (( segid "    " and resid 45   and name HA  ))
 )
      5.000     5.000     0.000 peak  4973 weight  0.10000E+01 volume  0.44600E+00 ppm1      1.135 ppm2      5.206
 ASSI (
   (( segid "    " and resid 28   and name HG23))
  OR 
   (( segid "    " and resid 28   and name HG22))
  OR 
   (( segid "    " and resid 28   and name HG21))
 )(
   (( segid "    " and resid 46   and name HN  ))
 )
      5.000     5.000     0.000 peak  7966 weight  0.10000E+01 volume  0.63700E+00 ppm1      1.135 ppm2      8.482
 ASSI (
   (( segid "    " and resid 29   and name HA  ))
 )(
   (( segid "    " and resid 29   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7975 weight  0.10000E+01 volume  0.53600E+00 ppm1      4.759 ppm2      1.625
 ASSI (
   (( segid "    " and resid 29   and name HA  ))
 )(
   (( segid "    " and resid 29   and name HB2 ))
 )
      5.000     5.000     0.000 peak  7976 weight  0.10000E+01 volume  0.48500E+00 ppm1      4.763 ppm2      1.322
 ASSI (
   (( segid "    " and resid 29   and name HA  ))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      5.000     5.000     0.000 peak  5071 weight  0.10000E+01 volume  0.31600E+00 ppm1      4.762 ppm2      0.073
 ASSI (
   (( segid "    " and resid 29   and name HB1 ))
 )(
   (( segid "    " and resid 29   and name HB2 ))
 )
      3.300     3.300     0.000 peak  7988 weight  0.10000E+01 volume  0.16420E+01 ppm1      1.611 ppm2      1.305
 ASSI (
   (( segid "    " and resid 29   and name HB1 ))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      5.000     5.000     0.000 peak  5273 weight  0.10000E+01 volume  0.82300E+00 ppm1      1.612 ppm2      0.084
 ASSI (
   (( segid "    " and resid 29   and name HB1 ))
 )(
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )
      5.000     5.000     0.000 peak  7991 weight  0.10000E+01 volume  0.72100E+00 ppm1      1.614 ppm2      0.771
 ASSI (
   (( segid "    " and resid 29   and name HB1 ))
 )(
   (( segid "    " and resid 29   and name HG  ))
 )
      5.000     5.000     0.000 peak  7989 weight  0.10000E+01 volume  0.10250E+01 ppm1      1.612 ppm2      1.464
 ASSI (
   (( segid "    " and resid 29   and name HB1 ))
 )(
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      6.000     6.000     0.000 peak  7980 weight  0.10000E+01 volume  0.18500E+00 ppm1      1.612 ppm2      6.536
 ASSI (
   (( segid "    " and resid 29   and name HB1 ))
 )(
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )
      5.000     5.000     0.000 peak  5275 weight  0.10000E+01 volume  0.66700E+00 ppm1      1.611 ppm2      6.232
 ASSI (
   (( segid "    " and resid 29   and name HB2 ))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      5.000     5.000     0.000 peak  5274 weight  0.10000E+01 volume  0.91400E+00 ppm1      1.300 ppm2      0.085
 ASSI (
   (( segid "    " and resid 29   and name HB2 ))
 )(
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )
      5.000     5.000     0.000 peak  7992 weight  0.10000E+01 volume  0.10530E+01 ppm1      1.305 ppm2      0.771
 ASSI (
   (( segid "    " and resid 29   and name HB2 ))
 )(
   (( segid "    " and resid 29   and name HG  ))
 )
      5.000     5.000     0.000 peak  7990 weight  0.10000E+01 volume  0.11010E+01 ppm1      1.303 ppm2      1.465
 ASSI (
   (( segid "    " and resid 29   and name HB2 ))
 )(
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      6.000     6.000     0.000 peak  7982 weight  0.10000E+01 volume  0.20900E+00 ppm1      1.300 ppm2      6.544
 ASSI (
   (( segid "    " and resid 29   and name HB2 ))
 )(
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7983 weight  0.10000E+01 volume  0.66500E+00 ppm1      1.301 ppm2      6.229
 ASSI (
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )(
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )
      6.000     6.000     0.000 peak  7995 weight  0.10000E+01 volume  0.18100E+00 ppm1      0.073 ppm2      7.323
 ASSI (
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )
      6.000     6.000     0.000 peak  7996 weight  0.10000E+01 volume  0.21700E+00 ppm1      0.072 ppm2      7.213
 ASSI (
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )(
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )
      3.300     3.300     0.000 peak  8009 weight  0.10000E+01 volume  0.26490E+01 ppm1      0.076 ppm2      0.775
 ASSI (
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )(
   (( segid "    " and resid 30   and name HN  ))
 )
      6.000     6.000     0.000 peak  6378 weight  0.10000E+01 volume  0.10500E+00 ppm1      0.072 ppm2      8.745
 ASSI (
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )(
   (( segid "    " and resid 54   and name HZ2 ))
 )
      6.000     6.000     0.000 peak  7997 weight  0.10000E+01 volume  0.18200E+00 ppm1      0.073 ppm2      6.947
 ASSI (
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )(
   (( segid "    " and resid 54   and name HZ3 ))
 )
      6.000     6.000     0.000 peak  7999 weight  0.10000E+01 volume  0.21000E+00 ppm1      0.073 ppm2      6.697
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 23   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8019 weight  0.10000E+01 volume  0.18800E+00 ppm1      0.759 ppm2      3.033
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 23   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8020 weight  0.10000E+01 volume  0.33600E+00 ppm1      0.759 ppm2      2.712
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 23   and name HE2 ))
  OR 
   (( segid "    " and resid 23   and name HE1 ))
 )
      5.000     5.000     0.000 peak  8011 weight  0.10000E+01 volume  0.11150E+01 ppm1      0.759 ppm2      7.211
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 28   and name HA  ))
 )
      6.000     6.000     0.000 peak  8016 weight  0.10000E+01 volume  0.15300E+00 ppm1      0.758 ppm2      5.431
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 29   and name HA  ))
 )
      3.300     3.300     0.000 peak  8018 weight  0.10000E+01 volume  0.27600E+01 ppm1      0.761 ppm2      4.769
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 29   and name HN  ))
 )
      5.000     5.000     0.000 peak  8010 weight  0.10000E+01 volume  0.33600E+00 ppm1      0.758 ppm2      9.276
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 30   and name HN  ))
 )
      5.000     5.000     0.000 peak  5905 weight  0.10000E+01 volume  0.88900E+00 ppm1      0.759 ppm2      8.747
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 31   and name HB2 ))
 )
      6.000     6.000     0.000 peak  8021 weight  0.10000E+01 volume  0.16700E+00 ppm1      0.760 ppm2      2.513
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 54   and name HH2 ))
 )
      5.000     5.000     0.000 peak  8015 weight  0.10000E+01 volume  0.63400E+00 ppm1      0.760 ppm2      6.245
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 54   and name HZ2 ))
 )
      6.000     6.000     0.000 peak  8012 weight  0.10000E+01 volume  0.12200E+00 ppm1      0.759 ppm2      6.932
 ASSI (
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )(
   (( segid "    " and resid 54   and name HZ3 ))
 )
      5.000     5.000     0.000 peak  8013 weight  0.10000E+01 volume  0.84900E+00 ppm1      0.760 ppm2      6.716
 ASSI (
   (( segid "    " and resid 29   and name HG  ))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      2.700     2.700     0.000 peak  7993 weight  0.10000E+01 volume  0.30490E+01 ppm1      1.460 ppm2      0.078
 ASSI (
   (( segid "    " and resid 30   and name HA  ))
 )(
   (( segid "    " and resid 30   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8028 weight  0.10000E+01 volume  0.32800E+00 ppm1      4.494 ppm2      1.857
 ASSI (
   (( segid "    " and resid 30   and name HA  ))
 )(
   (( segid "    " and resid 30   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8029 weight  0.10000E+01 volume  0.49400E+00 ppm1      4.496 ppm2      1.671
 ASSI (
   (( segid "    " and resid 30   and name HB1 ))
 )(
   (( segid "    " and resid 30   and name HN  ))
 )
      3.300     3.300     0.000 peak  8032 weight  0.10000E+01 volume  0.15960E+01 ppm1      1.841 ppm2      8.754
 ASSI (
   (( segid "    " and resid 30   and name HB1 ))
 )(
   (( segid "    " and resid 31   and name HA  ))
 )
      5.000     5.000     0.000 peak  8034 weight  0.10000E+01 volume  0.98500E+00 ppm1      1.845 ppm2      4.794
 ASSI (
   (( segid "    " and resid 30   and name HE2 ))
  OR 
   (( segid "    " and resid 30   and name HE1 ))
 )(
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )
      5.000     5.000     0.000 peak  8238 weight  0.10000E+01 volume  0.30300E+00 ppm1      2.926 ppm2      0.893
 ASSI (
   (( segid "    " and resid 31   and name HA  ))
 )(
   (( segid "    " and resid 14   and name HN  ))
 )
      5.000     5.000     0.000 peak  4958 weight  0.10000E+01 volume  0.87300E+00 ppm1      4.803 ppm2      8.217
 ASSI (
   (( segid "    " and resid 31   and name HA  ))
 )(
   (( segid "    " and resid 31   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8037 weight  0.10000E+01 volume  0.64200E+00 ppm1      4.806 ppm2      2.655
 ASSI (
   (( segid "    " and resid 31   and name HA  ))
 )(
   (( segid "    " and resid 31   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8038 weight  0.10000E+01 volume  0.52100E+00 ppm1      4.806 ppm2      2.512
 ASSI (
   (( segid "    " and resid 31   and name HA  ))
 )(
   (( segid "    " and resid 31   and name HN  ))
 )
      5.000     5.000     0.000 peak  4960 weight  0.10000E+01 volume  0.83100E+00 ppm1      4.799 ppm2      8.391
 ASSI (
   (( segid "    " and resid 31   and name HA  ))
 )(
   (( segid "    " and resid 32   and name HN  ))
 )
      3.300     3.300     0.000 peak  6393 weight  0.10000E+01 volume  0.17430E+01 ppm1      4.802 ppm2      8.928
 ASSI (
   (( segid "    " and resid 31   and name HB1 ))
 )(
   (( segid "    " and resid 31   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8047 weight  0.10000E+01 volume  0.10030E+01 ppm1      2.640 ppm2      2.508
 ASSI (
   (( segid "    " and resid 31   and name HB1 ))
 )(
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7367 weight  0.10000E+01 volume  0.50100E+00 ppm1      2.638 ppm2      6.537
 ASSI (
   (( segid "    " and resid 31   and name HB1 ))
 )(
   (( segid "    " and resid 31   and name HN  ))
 )
      5.000     5.000     0.000 peak  7387 weight  0.10000E+01 volume  0.35400E+00 ppm1      2.639 ppm2      8.385
 ASSI (
   (( segid "    " and resid 31   and name HB1 ))
 )(
   (( segid "    " and resid 59   and name HE2 ))
  OR 
   (( segid "    " and resid 59   and name HE1 ))
 )
      6.000     6.000     0.000 peak  8043 weight  0.10000E+01 volume  0.29900E+00 ppm1      2.639 ppm2      6.914
 ASSI (
   (( segid "    " and resid 31   and name HB1 ))
 )(
   (( segid "    " and resid 59   and name HZ  ))
 )
      5.000     5.000     0.000 peak  8044 weight  0.10000E+01 volume  0.32800E+00 ppm1      2.641 ppm2      6.344
 ASSI (
   (( segid "    " and resid 31   and name HB2 ))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5280 weight  0.10000E+01 volume  0.36300E+00 ppm1      2.505 ppm2      1.235
 ASSI (
   (( segid "    " and resid 31   and name HB2 ))
 )(
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7368 weight  0.10000E+01 volume  0.43200E+00 ppm1      2.505 ppm2      6.537
 ASSI (
   (( segid "    " and resid 31   and name HB2 ))
 )(
   (( segid "    " and resid 31   and name HN  ))
 )
      6.000     6.000     0.000 peak  8042 weight  0.10000E+01 volume  0.21900E+00 ppm1      2.504 ppm2      8.383
 ASSI (
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )(
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7396 weight  0.10000E+01 volume  0.72600E+00 ppm1      6.520 ppm2      6.225
 ASSI (
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )(
   (( segid "    " and resid 29   and name HA  ))
 )
      6.000     6.000     0.000 peak  8050 weight  0.10000E+01 volume  0.18400E+00 ppm1      6.220 ppm2      4.770
 ASSI (
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      5.000     5.000     0.000 peak  8003 weight  0.10000E+01 volume  0.10230E+01 ppm1      6.220 ppm2      0.078
 ASSI (
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )(
   (( segid "    " and resid 29   and name HD23))
  OR 
   (( segid "    " and resid 29   and name HD22))
  OR 
   (( segid "    " and resid 29   and name HD21))
 )
      6.000     6.000     0.000 peak  8053 weight  0.10000E+01 volume  0.25400E+00 ppm1      6.221 ppm2      0.777
 ASSI (
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )(
   (( segid "    " and resid 29   and name HG  ))
 )
      6.000     6.000     0.000 peak  8051 weight  0.10000E+01 volume  0.27700E+00 ppm1      6.219 ppm2      1.475
 ASSI (
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )(
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      3.300     3.300     0.000 peak  7397 weight  0.10000E+01 volume  0.16540E+01 ppm1      6.220 ppm2      6.524
 ASSI (
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )(
   (( segid "    " and resid 46   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8256 weight  0.10000E+01 volume  0.16400E+00 ppm1      6.221 ppm2      1.834
 ASSI (
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )(
   (( segid "    " and resid 46   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8052 weight  0.10000E+01 volume  0.42400E+00 ppm1      6.221 ppm2      1.044
 ASSI (
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )
      5.000     5.000     0.000 peak  8279 weight  0.10000E+01 volume  0.36100E+00 ppm1      6.220 ppm2     -0.001
 ASSI (
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )(
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )
      6.000     6.000     0.000 peak  8054 weight  0.10000E+01 volume  0.25800E+00 ppm1      6.221 ppm2     -0.128
 ASSI (
   (( segid "    " and resid 32   and name HB  ))
 )(
   (( segid "    " and resid 14   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8060 weight  0.10000E+01 volume  0.55800E+00 ppm1      3.954 ppm2      1.860
 ASSI (
   (( segid "    " and resid 32   and name HB  ))
 )(
   (( segid "    " and resid 32   and name HA  ))
 )
      3.300     3.300     0.000 peak  8058 weight  0.10000E+01 volume  0.16830E+01 ppm1      3.953 ppm2      4.720
 ASSI (
   (( segid "    " and resid 32   and name HB  ))
 )(
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )
      2.700     2.700     0.000 peak  8061 weight  0.10000E+01 volume  0.32170E+01 ppm1      3.951 ppm2      1.098
 ASSI (
   (( segid "    " and resid 32   and name HB  ))
 )(
   (( segid "    " and resid 32   and name HN  ))
 )
      5.000     5.000     0.000 peak  8056 weight  0.10000E+01 volume  0.58900E+00 ppm1      3.954 ppm2      8.929
 ASSI (
   (( segid "    " and resid 32   and name HB  ))
 )(
   (( segid "    " and resid 33   and name HN  ))
 )
      5.000     5.000     0.000 peak  8057 weight  0.10000E+01 volume  0.70200E+00 ppm1      3.954 ppm2      8.432
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 30   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8070 weight  0.10000E+01 volume  0.37500E+00 ppm1      1.091 ppm2      1.861
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 31   and name HA  ))
 )
      5.000     5.000     0.000 peak  8064 weight  0.10000E+01 volume  0.52100E+00 ppm1      1.091 ppm2      4.817
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 31   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8068 weight  0.10000E+01 volume  0.11800E+00 ppm1      1.092 ppm2      2.659
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 31   and name HB2 ))
 )
      6.000     6.000     0.000 peak  8067 weight  0.10000E+01 volume  0.12000E+00 ppm1      1.091 ppm2      2.514
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 32   and name HA  ))
 )
      5.000     5.000     0.000 peak  5560 weight  0.10000E+01 volume  0.60800E+00 ppm1      1.092 ppm2      4.727
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 32   and name HN  ))
 )
      5.000     5.000     0.000 peak  6383 weight  0.10000E+01 volume  0.11790E+01 ppm1      1.092 ppm2      8.934
 ASSI (
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )(
   (( segid "    " and resid 33   and name HN  ))
 )
      5.000     5.000     0.000 peak  5923 weight  0.10000E+01 volume  0.53800E+00 ppm1      1.093 ppm2      8.429
 ASSI (
   (( segid "    " and resid 33   and name HA  ))
 )(
   (( segid "    " and resid 33   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8073 weight  0.10000E+01 volume  0.64700E+00 ppm1      5.088 ppm2      3.243
 ASSI (
   (( segid "    " and resid 33   and name HA  ))
 )(
   (( segid "    " and resid 33   and name HB2 ))
 )
      5.000     5.000     0.000 peak  4800 weight  0.10000E+01 volume  0.59200E+00 ppm1      5.087 ppm2      2.797
 ASSI (
   (( segid "    " and resid 33   and name HA  ))
 )(
   (( segid "    " and resid 34   and name HN  ))
 )
      5.000     5.000     0.000 peak  5925 weight  0.10000E+01 volume  0.94200E+00 ppm1      5.086 ppm2      7.402
 ASSI (
   (( segid "    " and resid 33   and name HB1 ))
 )(
   (( segid "    " and resid 33   and name HB2 ))
 )
      3.300     3.300     0.000 peak  5283 weight  0.10000E+01 volume  0.23430E+01 ppm1      3.226 ppm2      2.796
 ASSI (
   (( segid "    " and resid 33   and name HB1 ))
 )(
   (( segid "    " and resid 33   and name HN  ))
 )
      5.000     5.000     0.000 peak  8074 weight  0.10000E+01 volume  0.58700E+00 ppm1      3.227 ppm2      8.428
 ASSI (
   (( segid "    " and resid 33   and name HB1 ))
 )(
   (( segid "    " and resid 37   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8082 weight  0.10000E+01 volume  0.44300E+00 ppm1      3.227 ppm2      3.410
 ASSI (
   (( segid "    " and resid 33   and name HB2 ))
 )(
   (( segid "    " and resid 33   and name HN  ))
 )
      3.300     3.300     0.000 peak  8077 weight  0.10000E+01 volume  0.19250E+01 ppm1      2.787 ppm2      8.429
 ASSI (
   (( segid "    " and resid 33   and name HB2 ))
 )(
   (( segid "    " and resid 34   and name HN  ))
 )
      6.000     6.000     0.000 peak  6402 weight  0.10000E+01 volume  0.23300E+00 ppm1      2.785 ppm2      7.390
 ASSI (
   (( segid "    " and resid 33   and name HB2 ))
 )(
   (( segid "    " and resid 37   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8085 weight  0.10000E+01 volume  0.56700E+00 ppm1      2.787 ppm2      3.411
 ASSI (
   (( segid "    " and resid 34   and name HA  ))
 )(
   (( segid "    " and resid 34   and name HN  ))
 )
      5.000     5.000     0.000 peak  6405 weight  0.10000E+01 volume  0.48100E+00 ppm1      4.397 ppm2      7.388
 ASSI (
   (( segid "    " and resid 34   and name HA  ))
 )(
   (( segid "    " and resid 35   and name HD2 ))
 )
      5.000     5.000     0.000 peak  4919 weight  0.10000E+01 volume  0.10390E+01 ppm1      4.396 ppm2      3.571
 ASSI (
   (( segid "    " and resid 34   and name HB1 ))
 )(
   (( segid "    " and resid 34   and name HA  ))
 )
      5.000     5.000     0.000 peak  8091 weight  0.10000E+01 volume  0.62200E+00 ppm1      1.601 ppm2      4.415
 ASSI (
   (( segid "    " and resid 34   and name HB1 ))
 )(
   (( segid "    " and resid 34   and name HB2 ))
 )
      3.300     3.300     0.000 peak  8095 weight  0.10000E+01 volume  0.17940E+01 ppm1      1.601 ppm2      1.181
 ASSI (
   (( segid "    " and resid 34   and name HB1 ))
 )(
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )
      3.300     3.300     0.000 peak  8096 weight  0.10000E+01 volume  0.16160E+01 ppm1      1.602 ppm2      0.824
 ASSI (
   (( segid "    " and resid 34   and name HB1 ))
 )(
   (( segid "    " and resid 34   and name HN  ))
 )
      5.000     5.000     0.000 peak  6400 weight  0.10000E+01 volume  0.37800E+00 ppm1      1.600 ppm2      7.398
 ASSI (
   (( segid "    " and resid 34   and name HB1 ))
 )(
   (( segid "    " and resid 35   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5287 weight  0.10000E+01 volume  0.45600E+00 ppm1      1.598 ppm2      3.783
 ASSI (
   (( segid "    " and resid 34   and name HB1 ))
 )(
   (( segid "    " and resid 35   and name HD2 ))
 )
      5.000     5.000     0.000 peak  5284 weight  0.10000E+01 volume  0.71200E+00 ppm1      1.598 ppm2      3.576
 ASSI (
   (( segid "    " and resid 34   and name HB1 ))
 )(
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8089 weight  0.10000E+01 volume  0.48600E+00 ppm1      1.601 ppm2      6.695
 ASSI (
   (( segid "    " and resid 34   and name HB2 ))
 )(
   (( segid "    " and resid 34   and name HA  ))
 )
      5.000     5.000     0.000 peak  8092 weight  0.10000E+01 volume  0.43500E+00 ppm1      1.173 ppm2      4.416
 ASSI (
   (( segid "    " and resid 34   and name HB2 ))
 )(
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )
      5.000     5.000     0.000 peak  8097 weight  0.10000E+01 volume  0.94000E+00 ppm1      1.174 ppm2      0.826
 ASSI (
   (( segid "    " and resid 34   and name HB2 ))
 )(
   (( segid "    " and resid 34   and name HG  ))
 )
      5.000     5.000     0.000 peak  8098 weight  0.10000E+01 volume  0.10130E+01 ppm1      1.174 ppm2      1.015
 ASSI (
   (( segid "    " and resid 34   and name HB2 ))
 )(
   (( segid "    " and resid 34   and name HN  ))
 )
      5.000     5.000     0.000 peak  8088 weight  0.10000E+01 volume  0.47700E+00 ppm1      1.174 ppm2      7.397
 ASSI (
   (( segid "    " and resid 34   and name HB2 ))
 )(
   (( segid "    " and resid 35   and name HD2 ))
 )
      5.000     5.000     0.000 peak  5288 weight  0.10000E+01 volume  0.44600E+00 ppm1      1.171 ppm2      3.571
 ASSI (
   (( segid "    " and resid 34   and name HB2 ))
 )(
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8090 weight  0.10000E+01 volume  0.63000E+00 ppm1      1.169 ppm2      6.698
 ASSI (
   (( segid "    " and resid 34   and name HD13))
  OR 
   (( segid "    " and resid 34   and name HD12))
  OR 
   (( segid "    " and resid 34   and name HD11))
 )(
   (( segid "    " and resid 9    and name HA  ))
 )
      5.000     5.000     0.000 peak  7743 weight  0.10000E+01 volume  0.41300E+00 ppm1      0.562 ppm2      4.019
 ASSI (
   (( segid "    " and resid 34   and name HD13))
  OR 
   (( segid "    " and resid 34   and name HD12))
  OR 
   (( segid "    " and resid 34   and name HD11))
 )(
   (( segid "    " and resid 10   and name HA  ))
 )
      5.000     5.000     0.000 peak  4846 weight  0.10000E+01 volume  0.70700E+00 ppm1      0.561 ppm2      3.520
 ASSI (
   (( segid "    " and resid 34   and name HD13))
  OR 
   (( segid "    " and resid 34   and name HD12))
  OR 
   (( segid "    " and resid 34   and name HD11))
 )(
   (( segid "    " and resid 11   and name HN  ))
 )
      5.000     5.000     0.000 peak  6184 weight  0.10000E+01 volume  0.66800E+00 ppm1      0.561 ppm2      6.462
 ASSI (
   (( segid "    " and resid 34   and name HD13))
  OR 
   (( segid "    " and resid 34   and name HD12))
  OR 
   (( segid "    " and resid 34   and name HD11))
 )(
   (( segid "    " and resid 12   and name HN  ))
 )
      6.000     6.000     0.000 peak  8102 weight  0.10000E+01 volume  0.26300E+00 ppm1      0.561 ppm2      8.632
 ASSI (
   (( segid "    " and resid 34   and name HD13))
  OR 
   (( segid "    " and resid 34   and name HD12))
  OR 
   (( segid "    " and resid 34   and name HD11))
 )(
   (( segid "    " and resid 33   and name HA  ))
 )
      6.000     6.000     0.000 peak  8104 weight  0.10000E+01 volume  0.22700E+00 ppm1      0.560 ppm2      5.099
 ASSI (
   (( segid "    " and resid 34   and name HD13))
  OR 
   (( segid "    " and resid 34   and name HD12))
  OR 
   (( segid "    " and resid 34   and name HD11))
 )(
   (( segid "    " and resid 34   and name HB1 ))
 )
      3.300     3.300     0.000 peak  8105 weight  0.10000E+01 volume  0.23960E+01 ppm1      0.560 ppm2      1.602
 ASSI (
   (( segid "    " and resid 34   and name HD13))
  OR 
   (( segid "    " and resid 34   and name HD12))
  OR 
   (( segid "    " and resid 34   and name HD11))
 )(
   (( segid "    " and resid 34   and name HN  ))
 )
      5.000     5.000     0.000 peak  6396 weight  0.10000E+01 volume  0.40800E+00 ppm1      0.560 ppm2      7.391
 ASSI (
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )(
   (( segid "    " and resid 11   and name HN  ))
 )
      6.000     6.000     0.000 peak  8107 weight  0.10000E+01 volume  0.24800E+00 ppm1      0.804 ppm2      6.482
 ASSI (
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )(
   (( segid "    " and resid 12   and name HA  ))
 )
      5.000     5.000     0.000 peak  8109 weight  0.10000E+01 volume  0.51000E+00 ppm1      0.802 ppm2      4.611
 ASSI (
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )(
   (( segid "    " and resid 12   and name HN  ))
 )
      5.000     5.000     0.000 peak  6189 weight  0.10000E+01 volume  0.47700E+00 ppm1      0.802 ppm2      8.637
 ASSI (
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )(
   (( segid "    " and resid 33   and name HA  ))
 )
      6.000     6.000     0.000 peak  8108 weight  0.10000E+01 volume  0.29300E+00 ppm1      0.802 ppm2      5.096
 ASSI (
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )(
   (( segid "    " and resid 34   and name HA  ))
 )
      2.700     2.700     0.000 peak  8110 weight  0.10000E+01 volume  0.31170E+01 ppm1      0.804 ppm2      4.413
 ASSI (
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )(
   (( segid "    " and resid 34   and name HN  ))
 )
      5.000     5.000     0.000 peak  6398 weight  0.10000E+01 volume  0.10310E+01 ppm1      0.801 ppm2      7.394
 ASSI (
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )(
   (( segid "    " and resid 35   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5565 weight  0.10000E+01 volume  0.14020E+01 ppm1      0.803 ppm2      3.780
 ASSI (
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )(
   (( segid "    " and resid 35   and name HD2 ))
 )
      3.300     3.300     0.000 peak  5568 weight  0.10000E+01 volume  0.16370E+01 ppm1      0.802 ppm2      3.572
 ASSI (
   (( segid "    " and resid 34   and name HG  ))
 )(
   (( segid "    " and resid 34   and name HA  ))
 )
      5.000     5.000     0.000 peak  5564 weight  0.10000E+01 volume  0.45200E+00 ppm1      1.002 ppm2      4.398
 ASSI (
   (( segid "    " and resid 34   and name HG  ))
 )(
   (( segid "    " and resid 34   and name HD13))
  OR 
   (( segid "    " and resid 34   and name HD12))
  OR 
   (( segid "    " and resid 34   and name HD11))
 )
      3.300     3.300     0.000 peak  8101 weight  0.10000E+01 volume  0.18250E+01 ppm1      1.008 ppm2      0.573
 ASSI (
   (( segid "    " and resid 34   and name HG  ))
 )(
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )
      2.700     2.700     0.000 peak  6526 weight  0.10000E+01 volume  0.51920E+01 ppm1      1.011 ppm2      0.826
 ASSI (
   (( segid "    " and resid 34   and name HG  ))
 )(
   (( segid "    " and resid 34   and name HN  ))
 )
      5.000     5.000     0.000 peak  8100 weight  0.10000E+01 volume  0.51800E+00 ppm1      1.008 ppm2      7.400
 ASSI (
   (( segid "    " and resid 35   and name HA  ))
 )(
   (( segid "    " and resid 35   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8114 weight  0.10000E+01 volume  0.14420E+01 ppm1      4.334 ppm2      2.302
 ASSI (
   (( segid "    " and resid 35   and name HA  ))
 )(
   (( segid "    " and resid 35   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8112 weight  0.10000E+01 volume  0.56000E-01 ppm1      4.335 ppm2      3.763
 ASSI (
   (( segid "    " and resid 35   and name HA  ))
 )(
   (( segid "    " and resid 35   and name HD2 ))
 )
      6.000     6.000     0.000 peak  8113 weight  0.10000E+01 volume  0.29700E+00 ppm1      4.334 ppm2      3.577
 ASSI (
   (( segid "    " and resid 35   and name HA  ))
 )(
   (( segid "    " and resid 35   and name HG1 ))
 )
      5.000     5.000     0.000 peak  8115 weight  0.10000E+01 volume  0.52600E+00 ppm1      4.333 ppm2      2.132
 ASSI (
   (( segid "    " and resid 35   and name HA  ))
 )(
   (( segid "    " and resid 35   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8116 weight  0.10000E+01 volume  0.83600E+00 ppm1      4.334 ppm2      1.955
 ASSI (
   (( segid "    " and resid 35   and name HA  ))
 )(
   (( segid "    " and resid 36   and name HA2 ))
 )
      6.000     6.000     0.000 peak  4930 weight  0.10000E+01 volume  0.15600E+00 ppm1      4.333 ppm2      3.252
 ASSI (
   (( segid "    " and resid 35   and name HA  ))
 )(
   (( segid "    " and resid 36   and name HN  ))
 )
      3.300     3.300     0.000 peak  5931 weight  0.10000E+01 volume  0.25560E+01 ppm1      4.335 ppm2      8.271
 ASSI (
   (( segid "    " and resid 35   and name HB1 ))
 )(
   (( segid "    " and resid 35   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5292 weight  0.10000E+01 volume  0.38500E+00 ppm1      2.279 ppm2      3.781
 ASSI (
   (( segid "    " and resid 35   and name HB1 ))
 )(
   (( segid "    " and resid 35   and name HD2 ))
 )
      5.000     5.000     0.000 peak  5293 weight  0.10000E+01 volume  0.43800E+00 ppm1      2.282 ppm2      3.579
 ASSI (
   (( segid "    " and resid 35   and name HB1 ))
 )(
   (( segid "    " and resid 36   and name HN  ))
 )
      5.000     5.000     0.000 peak  8122 weight  0.10000E+01 volume  0.47500E+00 ppm1      2.278 ppm2      8.286
 ASSI (
   (( segid "    " and resid 35   and name HB2 ))
 )(
   (( segid "    " and resid 35   and name HA  ))
 )
      3.300     3.300     0.000 peak  8120 weight  0.10000E+01 volume  0.19410E+01 ppm1      1.783 ppm2      4.349
 ASSI (
   (( segid "    " and resid 35   and name HB2 ))
 )(
   (( segid "    " and resid 35   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5291 weight  0.10000E+01 volume  0.51500E+00 ppm1      1.783 ppm2      3.779
 ASSI (
   (( segid "    " and resid 35   and name HB2 ))
 )(
   (( segid "    " and resid 35   and name HD2 ))
 )
      5.000     5.000     0.000 peak  5294 weight  0.10000E+01 volume  0.74800E+00 ppm1      1.782 ppm2      3.584
 ASSI (
   (( segid "    " and resid 35   and name HD1 ))
 )(
   (( segid "    " and resid 34   and name HA  ))
 )
      3.300     3.300     0.000 peak  4928 weight  0.10000E+01 volume  0.16010E+01 ppm1      3.766 ppm2      4.405
 ASSI (
   (( segid "    " and resid 35   and name HD1 ))
 )(
   (( segid "    " and resid 34   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8138 weight  0.10000E+01 volume  0.32300E+00 ppm1      3.769 ppm2      1.182
 ASSI (
   (( segid "    " and resid 35   and name HD1 ))
 )(
   (( segid "    " and resid 35   and name HD2 ))
 )
      2.700     2.700     0.000 peak  8132 weight  0.10000E+01 volume  0.31070E+01 ppm1      3.770 ppm2      3.568
 ASSI (
   (( segid "    " and resid 35   and name HD2 ))
 )(
   (( segid "    " and resid 35   and name HG1 ))
 )
      5.000     5.000     0.000 peak  8135 weight  0.10000E+01 volume  0.90900E+00 ppm1      3.568 ppm2      2.118
 ASSI (
   (( segid "    " and resid 35   and name HD2 ))
 )(
   (( segid "    " and resid 35   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8136 weight  0.10000E+01 volume  0.97300E+00 ppm1      3.568 ppm2      1.956
 ASSI (
   (( segid "    " and resid 35   and name HG1 ))
 )(
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )
      5.000     5.000     0.000 peak  8129 weight  0.10000E+01 volume  0.35200E+00 ppm1      2.110 ppm2      0.809
 ASSI (
   (( segid "    " and resid 35   and name HG1 ))
 )(
   (( segid "    " and resid 35   and name HB2 ))
 )
      2.700     2.700     0.000 peak  8127 weight  0.10000E+01 volume  0.37360E+01 ppm1      2.110 ppm2      1.792
 ASSI (
   (( segid "    " and resid 35   and name HG1 ))
 )(
   (( segid "    " and resid 35   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5569 weight  0.10000E+01 volume  0.12540E+01 ppm1      2.109 ppm2      3.783
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 34   and name HA  ))
 )
      5.000     5.000     0.000 peak  8124 weight  0.10000E+01 volume  0.63300E+00 ppm1      1.952 ppm2      4.387
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 34   and name HD23))
  OR 
   (( segid "    " and resid 34   and name HD22))
  OR 
   (( segid "    " and resid 34   and name HD21))
 )
      6.000     6.000     0.000 peak  8130 weight  0.10000E+01 volume  0.28900E+00 ppm1      1.951 ppm2      0.811
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 35   and name HB1 ))
 )
      3.300     3.300     0.000 peak  8126 weight  0.10000E+01 volume  0.15020E+01 ppm1      1.952 ppm2      2.277
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 35   and name HB2 ))
 )
      3.300     3.300     0.000 peak  8128 weight  0.10000E+01 volume  0.16360E+01 ppm1      1.952 ppm2      1.794
 ASSI (
   (( segid "    " and resid 35   and name HG2 ))
 )(
   (( segid "    " and resid 35   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5570 weight  0.10000E+01 volume  0.10510E+01 ppm1      1.951 ppm2      3.781
 ASSI (
   (( segid "    " and resid 36   and name HA1 ))
 )(
   (( segid "    " and resid 36   and name HA2 ))
 )
      5.000     5.000     0.000 peak  8142 weight  0.10000E+01 volume  0.12130E+01 ppm1      3.695 ppm2      3.259
 ASSI (
   (( segid "    " and resid 36   and name HA1 ))
 )(
   (( segid "    " and resid 36   and name HN  ))
 )
      5.000     5.000     0.000 peak  6412 weight  0.10000E+01 volume  0.40500E+00 ppm1      3.692 ppm2      8.281
 ASSI (
   (( segid "    " and resid 36   and name HA1 ))
 )(
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )
      6.000     6.000     0.000 peak  8139 weight  0.10000E+01 volume  0.23800E+00 ppm1      3.692 ppm2      6.697
 ASSI (
   (( segid "    " and resid 36   and name HA2 ))
 )(
   (( segid "    " and resid 36   and name HN  ))
 )
      5.000     5.000     0.000 peak  6410 weight  0.10000E+01 volume  0.32400E+00 ppm1      3.236 ppm2      8.281
 ASSI (
   (( segid "    " and resid 36   and name HA2 ))
 )(
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )
      6.000     6.000     0.000 peak  8140 weight  0.10000E+01 volume  0.18900E+00 ppm1      3.244 ppm2      6.692
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 37   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8145 weight  0.10000E+01 volume  0.68200E+00 ppm1      5.002 ppm2      3.417
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 37   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8146 weight  0.10000E+01 volume  0.11410E+01 ppm1      5.003 ppm2      2.654
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )
      5.000     5.000     0.000 peak  4933 weight  0.10000E+01 volume  0.11590E+01 ppm1      5.005 ppm2      6.692
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 37   and name HN  ))
 )
      5.000     5.000     0.000 peak  6420 weight  0.10000E+01 volume  0.40500E+00 ppm1      5.008 ppm2      8.135
 ASSI (
   (( segid "    " and resid 37   and name HA  ))
 )(
   (( segid "    " and resid 38   and name HN  ))
 )
      5.000     5.000     0.000 peak  5944 weight  0.10000E+01 volume  0.10840E+01 ppm1      5.001 ppm2      9.251
 ASSI (
   (( segid "    " and resid 37   and name HB1 ))
 )(
   (( segid "    " and resid 37   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5297 weight  0.10000E+01 volume  0.70700E+00 ppm1      3.408 ppm2      2.647
 ASSI (
   (( segid "    " and resid 37   and name HB1 ))
 )(
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7369 weight  0.10000E+01 volume  0.59800E+00 ppm1      3.408 ppm2      6.698
 ASSI (
   (( segid "    " and resid 37   and name HB1 ))
 )(
   (( segid "    " and resid 37   and name HN  ))
 )
      5.000     5.000     0.000 peak  7399 weight  0.10000E+01 volume  0.43200E+00 ppm1      3.409 ppm2      8.142
 ASSI (
   (( segid "    " and resid 37   and name HB1 ))
 )(
   (( segid "    " and resid 60   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5296 weight  0.10000E+01 volume  0.40000E+00 ppm1      3.408 ppm2      3.005
 ASSI (
   (( segid "    " and resid 37   and name HB2 ))
 )(
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7370 weight  0.10000E+01 volume  0.93100E+00 ppm1      2.626 ppm2      6.695
 ASSI (
   (( segid "    " and resid 37   and name HB2 ))
 )(
   (( segid "    " and resid 60   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5374 weight  0.10000E+01 volume  0.11610E+01 ppm1      2.627 ppm2      2.996
 ASSI (
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )(
   (( segid "    " and resid 10   and name HB2 ))
 )
      6.000     6.000     0.000 peak  4837 weight  0.10000E+01 volume  0.27400E+00 ppm1      6.685 ppm2      2.146
 ASSI (
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )(
   (( segid "    " and resid 34   and name HD13))
  OR 
   (( segid "    " and resid 34   and name HD12))
  OR 
   (( segid "    " and resid 34   and name HD11))
 )
      6.000     6.000     0.000 peak  8157 weight  0.10000E+01 volume  0.26700E+00 ppm1      6.685 ppm2      0.566
 ASSI (
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )(
   (( segid "    " and resid 37   and name HE2 ))
  OR 
   (( segid "    " and resid 37   and name HE1 ))
 )
      2.700     2.700     0.000 peak  7468 weight  0.10000E+01 volume  0.10637E+02 ppm1      6.684 ppm2      6.729
 ASSI (
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )(
   (( segid "    " and resid 37   and name HN  ))
 )
      5.000     5.000     0.000 peak  7498 weight  0.10000E+01 volume  0.55600E+00 ppm1      6.687 ppm2      8.140
 ASSI (
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )(
   (( segid "    " and resid 61   and name HA  ))
 )
      5.000     5.000     0.000 peak  7471 weight  0.10000E+01 volume  0.44500E+00 ppm1      6.686 ppm2      4.486
 ASSI (
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )(
   (( segid "    " and resid 62   and name HA  ))
 )
      6.000     6.000     0.000 peak  7470 weight  0.10000E+01 volume  0.26100E+00 ppm1      6.686 ppm2      3.930
 ASSI (
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )(
   (( segid "    " and resid 62   and name HH  ))
 )
      5.000     5.000     0.000 peak  7477 weight  0.10000E+01 volume  0.32700E+00 ppm1      6.685 ppm2      8.384
 ASSI (
   (( segid "    " and resid 38   and name HA  ))
 )(
   (( segid "    " and resid 38   and name HB  ))
 )
      3.300     3.300     0.000 peak  8159 weight  0.10000E+01 volume  0.17690E+01 ppm1      4.337 ppm2      1.727
 ASSI (
   (( segid "    " and resid 38   and name HA  ))
 )(
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      3.300     3.300     0.000 peak  8160 weight  0.10000E+01 volume  0.27140E+01 ppm1      4.335 ppm2      0.546
 ASSI (
   (( segid "    " and resid 38   and name HA  ))
 )(
   (( segid "    " and resid 38   and name HN  ))
 )
      5.000     5.000     0.000 peak  6429 weight  0.10000E+01 volume  0.49200E+00 ppm1      4.335 ppm2      9.245
 ASSI (
   (( segid "    " and resid 38   and name HA  ))
 )(
   (( segid "    " and resid 39   and name HN  ))
 )
      2.700     2.700     0.000 peak  8158 weight  0.10000E+01 volume  0.65790E+01 ppm1      4.335 ppm2      8.382
 ASSI (
   (( segid "    " and resid 38   and name HB  ))
 )(
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      2.700     2.700     0.000 peak  8164 weight  0.10000E+01 volume  0.41010E+01 ppm1      1.721 ppm2      0.544
 ASSI (
   (( segid "    " and resid 38   and name HB  ))
 )(
   (( segid "    " and resid 38   and name HN  ))
 )
      5.000     5.000     0.000 peak  6424 weight  0.10000E+01 volume  0.38300E+00 ppm1      1.713 ppm2      9.246
 ASSI (
   (( segid "    " and resid 38   and name HB  ))
 )(
   (( segid "    " and resid 63   and name HE1 ))
 )
      5.000     5.000     0.000 peak  5299 weight  0.10000E+01 volume  0.61400E+00 ppm1      1.718 ppm2      2.704
 ASSI (
   (( segid "    " and resid 38   and name HB  ))
 )(
   (( segid "    " and resid 63   and name HG1 ))
 )
      5.000     5.000     0.000 peak  5636 weight  0.10000E+01 volume  0.42600E+00 ppm1      1.716 ppm2      1.149
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 37   and name HA  ))
 )
      6.000     6.000     0.000 peak  8173 weight  0.10000E+01 volume  0.19900E+00 ppm1      0.515 ppm2      5.014
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 38   and name HA  ))
 )
      3.300     3.300     0.000 peak  5573 weight  0.10000E+01 volume  0.16940E+01 ppm1      0.515 ppm2      4.351
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 38   and name HB  ))
 )
      2.700     2.700     0.000 peak  8178 weight  0.10000E+01 volume  0.37030E+01 ppm1      0.514 ppm2      1.730
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 38   and name HN  ))
 )
      5.000     5.000     0.000 peak  8165 weight  0.10000E+01 volume  0.11500E+01 ppm1      0.514 ppm2      9.252
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      6.000     6.000     0.000 peak  8174 weight  0.10000E+01 volume  0.24600E+00 ppm1      0.515 ppm2      4.675
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 39   and name HN  ))
 )
      5.000     5.000     0.000 peak  8166 weight  0.10000E+01 volume  0.14190E+01 ppm1      0.516 ppm2      8.381
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 63   and name HA  ))
 )
      5.000     5.000     0.000 peak  8175 weight  0.10000E+01 volume  0.55500E+00 ppm1      0.515 ppm2      4.161
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 63   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5595 weight  0.10000E+01 volume  0.61900E+00 ppm1      0.514 ppm2      1.437
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 63   and name HE1 ))
 )
      5.000     5.000     0.000 peak  5594 weight  0.10000E+01 volume  0.94300E+00 ppm1      0.515 ppm2      2.707
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8171 weight  0.10000E+01 volume  0.40900E+00 ppm1      0.515 ppm2      6.713
 ASSI (
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )(
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )
      5.000     5.000     0.000 peak  8169 weight  0.10000E+01 volume  0.30600E+00 ppm1      0.515 ppm2      7.349
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 37   and name HA  ))
 )
      5.000     5.000     0.000 peak  8148 weight  0.10000E+01 volume  0.33300E+00 ppm1      0.559 ppm2      5.006
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 38   and name HA  ))
 )
      3.300     3.300     0.000 peak  5218 weight  0.10000E+01 volume  0.20640E+01 ppm1      0.563 ppm2      4.352
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 38   and name HB  ))
 )
      2.700     2.700     0.000 peak  5575 weight  0.10000E+01 volume  0.49270E+01 ppm1      0.562 ppm2      1.733
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 38   and name HN  ))
 )
      5.000     5.000     0.000 peak  5593 weight  0.10000E+01 volume  0.14320E+01 ppm1      0.563 ppm2      9.254
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 39   and name HN  ))
 )
      3.300     3.300     0.000 peak  8180 weight  0.10000E+01 volume  0.19370E+01 ppm1      0.561 ppm2      8.383
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 63   and name HA  ))
 )
      5.000     5.000     0.000 peak  5576 weight  0.10000E+01 volume  0.67800E+00 ppm1      0.560 ppm2      4.159
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 63   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5591 weight  0.10000E+01 volume  0.77600E+00 ppm1      0.561 ppm2      1.441
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 63   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8189 weight  0.10000E+01 volume  0.78000E+00 ppm1      0.561 ppm2      1.484
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 63   and name HE1 ))
 )
      5.000     5.000     0.000 peak  3548 weight  0.10000E+01 volume  0.91700E+00 ppm1      0.562 ppm2      2.716
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8184 weight  0.10000E+01 volume  0.47000E+00 ppm1      0.562 ppm2      6.720
 ASSI (
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )(
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )
      5.000     5.000     0.000 peak  8183 weight  0.10000E+01 volume  0.42500E+00 ppm1      0.561 ppm2      7.349
 ASSI (
   (( segid "    " and resid 39   and name HB2 ))
  OR 
   (( segid "    " and resid 39   and name HB1 ))
 )(
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  5303 weight  0.10000E+01 volume  0.43300E+00 ppm1      1.918 ppm2      0.556
 ASSI (
   (( segid "    " and resid 39   and name HB2 ))
  OR 
   (( segid "    " and resid 39   and name HB1 ))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      3.300     3.300     0.000 peak  5305 weight  0.10000E+01 volume  0.16410E+01 ppm1      1.920 ppm2      4.662
 ASSI (
   (( segid "    " and resid 39   and name HB2 ))
  OR 
   (( segid "    " and resid 39   and name HB1 ))
 )(
   (( segid "    " and resid 39   and name HD2 ))
  OR 
   (( segid "    " and resid 39   and name HD1 ))
 )
      3.300     3.300     0.000 peak  5592 weight  0.10000E+01 volume  0.23480E+01 ppm1      1.920 ppm2      3.196
 ASSI (
   (( segid "    " and resid 39   and name HD2 ))
  OR 
   (( segid "    " and resid 39   and name HD1 ))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      5.000     5.000     0.000 peak  5597 weight  0.10000E+01 volume  0.74100E+00 ppm1      3.181 ppm2      4.645
 ASSI (
   (( segid "    " and resid 39   and name HD2 ))
  OR 
   (( segid "    " and resid 39   and name HD1 ))
 )(
   (( segid "    " and resid 39   and name HN  ))
 )
      5.000     5.000     0.000 peak  5603 weight  0.10000E+01 volume  0.50500E+00 ppm1      3.179 ppm2      8.384
 ASSI (
   (( segid "    " and resid 39   and name HG1 ))
 )(
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  5600 weight  0.10000E+01 volume  0.30300E+00 ppm1      1.794 ppm2      0.546
 ASSI (
   (( segid "    " and resid 39   and name HG1 ))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      5.000     5.000     0.000 peak  5599 weight  0.10000E+01 volume  0.91800E+00 ppm1      1.794 ppm2      4.652
 ASSI (
   (( segid "    " and resid 39   and name HG1 ))
 )(
   (( segid "    " and resid 39   and name HN  ))
 )
      5.000     5.000     0.000 peak  8190 weight  0.10000E+01 volume  0.90900E+00 ppm1      1.792 ppm2      8.383
 ASSI (
   (( segid "    " and resid 39   and name HG2 ))
 )(
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  5601 weight  0.10000E+01 volume  0.41300E+00 ppm1      1.717 ppm2      0.548
 ASSI (
   (( segid "    " and resid 39   and name HG2 ))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      5.000     5.000     0.000 peak  5604 weight  0.10000E+01 volume  0.11440E+01 ppm1      1.719 ppm2      4.652
 ASSI (
   (( segid "    " and resid 39   and name HG2 ))
 )(
   (( segid "    " and resid 39   and name HN  ))
 )
      5.000     5.000     0.000 peak  8191 weight  0.10000E+01 volume  0.90200E+00 ppm1      1.720 ppm2      8.381
 ASSI (
   (( segid "    " and resid 40   and name HB1 ))
 )(
   (( segid "    " and resid 40   and name HA  ))
 )
      3.300     3.300     0.000 peak  8203 weight  0.10000E+01 volume  0.15630E+01 ppm1      3.902 ppm2      4.515
 ASSI (
   (( segid "    " and resid 40   and name HB1 ))
 )(
   (( segid "    " and resid 40   and name HB2 ))
 )
      2.700     2.700     0.000 peak  8205 weight  0.10000E+01 volume  0.41380E+01 ppm1      3.902 ppm2      3.469
 ASSI (
   (( segid "    " and resid 40   and name HB1 ))
 )(
   (( segid "    " and resid 40   and name HN  ))
 )
      5.000     5.000     0.000 peak  8201 weight  0.10000E+01 volume  0.12170E+01 ppm1      3.900 ppm2      8.430
 ASSI (
   (( segid "    " and resid 40   and name HB1 ))
 )(
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )
      3.300     3.300     0.000 peak  5632 weight  0.10000E+01 volume  0.19980E+01 ppm1      3.914 ppm2      0.714
 ASSI (
   (( segid "    " and resid 40   and name HB2 ))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      5.000     5.000     0.000 peak  8202 weight  0.10000E+01 volume  0.96200E+00 ppm1      3.457 ppm2      4.643
 ASSI (
   (( segid "    " and resid 40   and name HB2 ))
 )(
   (( segid "    " and resid 40   and name HA  ))
 )
      3.300     3.300     0.000 peak  8204 weight  0.10000E+01 volume  0.16800E+01 ppm1      3.457 ppm2      4.515
 ASSI (
   (( segid "    " and resid 40   and name HB2 ))
 )(
   (( segid "    " and resid 40   and name HN  ))
 )
      5.000     5.000     0.000 peak  6437 weight  0.10000E+01 volume  0.51800E+00 ppm1      3.458 ppm2      8.432
 ASSI (
   (( segid "    " and resid 40   and name HB2 ))
 )(
   (( segid "    " and resid 41   and name HN  ))
 )
      5.000     5.000     0.000 peak  6449 weight  0.10000E+01 volume  0.34400E+00 ppm1      3.458 ppm2      8.042
 ASSI (
   (( segid "    " and resid 40   and name HB2 ))
 )(
   (( segid "    " and resid 61   and name HD13))
  OR 
   (( segid "    " and resid 61   and name HD12))
  OR 
   (( segid "    " and resid 61   and name HD11))
 )
      5.000     5.000     0.000 peak  5309 weight  0.10000E+01 volume  0.84000E+00 ppm1      3.455 ppm2      0.701
 ASSI (
   (( segid "    " and resid 41   and name HA  ))
 )(
   (( segid "    " and resid 41   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6311 weight  0.10000E+01 volume  0.38900E+00 ppm1      4.717 ppm2      3.363
 ASSI (
   (( segid "    " and resid 41   and name HA  ))
 )(
   (( segid "    " and resid 41   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8206 weight  0.10000E+01 volume  0.79900E+00 ppm1      4.717 ppm2      3.125
 ASSI (
   (( segid "    " and resid 41   and name HB1 ))
 )(
   (( segid "    " and resid 41   and name HB2 ))
 )
      2.700     2.700     0.000 peak  8207 weight  0.10000E+01 volume  0.50360E+01 ppm1      3.355 ppm2      3.127
 ASSI (
   (( segid "    " and resid 41   and name HB1 ))
 )(
   (( segid "    " and resid 42   and name HB2 ))
 )
      6.000     6.000     0.000 peak  5317 weight  0.10000E+01 volume  0.17700E+00 ppm1      3.353 ppm2      3.831
 ASSI (
   (( segid "    " and resid 42   and name HB1 ))
 )(
   (( segid "    " and resid 42   and name HA  ))
 )
      5.000     5.000     0.000 peak  8211 weight  0.10000E+01 volume  0.12280E+01 ppm1      3.995 ppm2      4.373
 ASSI (
   (( segid "    " and resid 42   and name HB2 ))
 )(
   (( segid "    " and resid 42   and name HA  ))
 )
      3.300     3.300     0.000 peak  9005 weight  0.10000E+01 volume  0.17230E+01 ppm1      3.952 ppm2      4.373
 ASSI (
   (( segid "    " and resid 43   and name HA  ))
 )(
   (( segid "    " and resid 43   and name HG23))
  OR 
   (( segid "    " and resid 43   and name HG22))
  OR 
   (( segid "    " and resid 43   and name HG21))
 )
      2.700     2.700     0.000 peak  4940 weight  0.10000E+01 volume  0.30410E+01 ppm1      4.204 ppm2      1.176
 ASSI (
   (( segid "    " and resid 43   and name HA  ))
 )(
   (( segid "    " and resid 43   and name HN  ))
 )
      3.300     3.300     0.000 peak  8213 weight  0.10000E+01 volume  0.17120E+01 ppm1      4.206 ppm2      8.248
 ASSI (
   (( segid "    " and resid 43   and name HA  ))
 )(
   (( segid "    " and resid 44   and name HN  ))
 )
      3.300     3.300     0.000 peak  8212 weight  0.10000E+01 volume  0.24120E+01 ppm1      4.206 ppm2      8.382
 ASSI (
   (( segid "    " and resid 43   and name HB  ))
 )(
   (( segid "    " and resid 43   and name HG23))
  OR 
   (( segid "    " and resid 43   and name HG22))
  OR 
   (( segid "    " and resid 43   and name HG21))
 )
      2.700     2.700     0.000 peak  8216 weight  0.10000E+01 volume  0.37360E+01 ppm1      4.106 ppm2      1.178
 ASSI (
   (( segid "    " and resid 43   and name HB  ))
 )(
   (( segid "    " and resid 44   and name HN  ))
 )
      5.000     5.000     0.000 peak  4942 weight  0.10000E+01 volume  0.78000E+00 ppm1      4.106 ppm2      8.373
 ASSI (
   (( segid "    " and resid 43   and name HB  ))
 )(
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )
      5.000     5.000     0.000 peak  4941 weight  0.10000E+01 volume  0.53300E+00 ppm1      4.107 ppm2      0.909
 ASSI (
   (( segid "    " and resid 43   and name HG23))
  OR 
   (( segid "    " and resid 43   and name HG22))
  OR 
   (( segid "    " and resid 43   and name HG21))
 )(
   (( segid "    " and resid 43   and name HN  ))
 )
      5.000     5.000     0.000 peak  6459 weight  0.10000E+01 volume  0.12270E+01 ppm1      1.164 ppm2      8.259
 ASSI (
   (( segid "    " and resid 43   and name HG23))
  OR 
   (( segid "    " and resid 43   and name HG22))
  OR 
   (( segid "    " and resid 43   and name HG21))
 )(
   (( segid "    " and resid 44   and name HN  ))
 )
      5.000     5.000     0.000 peak  8217 weight  0.10000E+01 volume  0.11510E+01 ppm1      1.163 ppm2      8.383
 ASSI (
   (( segid "    " and resid 44   and name HA  ))
 )(
   (( segid "    " and resid 45   and name HN  ))
 )
      5.000     5.000     0.000 peak  4961 weight  0.10000E+01 volume  0.44600E+00 ppm1      3.009 ppm2      6.525
 ASSI (
   (( segid "    " and resid 45   and name HA  ))
 )(
   (( segid "    " and resid 44   and name HN  ))
 )
      5.000     5.000     0.000 peak  8221 weight  0.10000E+01 volume  0.53500E+00 ppm1      5.201 ppm2      8.385
 ASSI (
   (( segid "    " and resid 45   and name HA  ))
 )(
   (( segid "    " and resid 45   and name HB  ))
 )
      5.000     5.000     0.000 peak  8222 weight  0.10000E+01 volume  0.14900E+01 ppm1      5.200 ppm2      3.880
 ASSI (
   (( segid "    " and resid 45   and name HA  ))
 )(
   (( segid "    " and resid 45   and name HN  ))
 )
      5.000     5.000     0.000 peak  4950 weight  0.10000E+01 volume  0.32500E+00 ppm1      5.198 ppm2      6.534
 ASSI (
   (( segid "    " and resid 45   and name HB  ))
 )(
   (( segid "    " and resid 29   and name HN  ))
 )
      6.000     6.000     0.000 peak  8224 weight  0.10000E+01 volume  0.18600E+00 ppm1      3.866 ppm2      9.275
 ASSI (
   (( segid "    " and resid 45   and name HB  ))
 )(
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )
      3.300     3.300     0.000 peak  8229 weight  0.10000E+01 volume  0.23240E+01 ppm1      3.866 ppm2      0.901
 ASSI (
   (( segid "    " and resid 45   and name HB  ))
 )(
   (( segid "    " and resid 45   and name HN  ))
 )
      6.000     6.000     0.000 peak  8226 weight  0.10000E+01 volume  0.21200E+00 ppm1      3.865 ppm2      6.534
 ASSI (
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )(
   (( segid "    " and resid 28   and name HA  ))
 )
      6.000     6.000     0.000 peak  8234 weight  0.10000E+01 volume  0.18700E+00 ppm1      0.891 ppm2      5.443
 ASSI (
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )(
   (( segid "    " and resid 29   and name HN  ))
 )
      6.000     6.000     0.000 peak  8230 weight  0.10000E+01 volume  0.23600E+00 ppm1      0.889 ppm2      9.273
 ASSI (
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )(
   (( segid "    " and resid 30   and name HE2 ))
  OR 
   (( segid "    " and resid 30   and name HE1 ))
 )
      6.000     6.000     0.000 peak  8237 weight  0.10000E+01 volume  0.25800E+00 ppm1      0.891 ppm2      2.939
 ASSI (
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )(
   (( segid "    " and resid 44   and name HN  ))
 )
      5.000     5.000     0.000 peak  8232 weight  0.10000E+01 volume  0.11450E+01 ppm1      0.891 ppm2      8.371
 ASSI (
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )(
   (( segid "    " and resid 45   and name HA  ))
 )
      3.300     3.300     0.000 peak  5318 weight  0.10000E+01 volume  0.17780E+01 ppm1      0.893 ppm2      5.208
 ASSI (
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )(
   (( segid "    " and resid 45   and name HN  ))
 )
      5.000     5.000     0.000 peak  8233 weight  0.10000E+01 volume  0.53100E+00 ppm1      0.891 ppm2      6.530
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 46   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8243 weight  0.10000E+01 volume  0.72800E+00 ppm1      4.870 ppm2      1.846
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 46   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8245 weight  0.10000E+01 volume  0.87800E+00 ppm1      4.871 ppm2      1.016
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )
      5.000     5.000     0.000 peak  8247 weight  0.10000E+01 volume  0.58400E+00 ppm1      4.870 ppm2      0.026
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )
      5.000     5.000     0.000 peak  8248 weight  0.10000E+01 volume  0.10060E+01 ppm1      4.870 ppm2     -0.132
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 46   and name HG  ))
 )
      5.000     5.000     0.000 peak  8244 weight  0.10000E+01 volume  0.92900E+00 ppm1      4.872 ppm2      1.421
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HN  ))
 )
      3.300     3.300     0.000 peak  4974 weight  0.10000E+01 volume  0.25900E+01 ppm1      4.873 ppm2      8.493
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 56   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8241 weight  0.10000E+01 volume  0.45900E+00 ppm1      4.871 ppm2      3.661
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 56   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8242 weight  0.10000E+01 volume  0.46600E+00 ppm1      4.868 ppm2      3.227
 ASSI (
   (( segid "    " and resid 46   and name HA  ))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8239 weight  0.10000E+01 volume  0.23100E+00 ppm1      4.871 ppm2      6.834
 ASSI (
   (( segid "    " and resid 46   and name HB1 ))
 )(
   (( segid "    " and resid 46   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5330 weight  0.10000E+01 volume  0.13880E+01 ppm1      1.843 ppm2      1.037
 ASSI (
   (( segid "    " and resid 46   and name HB1 ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )
      5.000     5.000     0.000 peak  5335 weight  0.10000E+01 volume  0.62600E+00 ppm1      1.843 ppm2      0.001
 ASSI (
   (( segid "    " and resid 46   and name HB1 ))
 )(
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )
      5.000     5.000     0.000 peak  5336 weight  0.10000E+01 volume  0.40500E+00 ppm1      1.843 ppm2     -0.139
 ASSI (
   (( segid "    " and resid 46   and name HB1 ))
 )(
   (( segid "    " and resid 46   and name HG  ))
 )
      5.000     5.000     0.000 peak  5331 weight  0.10000E+01 volume  0.37600E+00 ppm1      1.842 ppm2      1.426
 ASSI (
   (( segid "    " and resid 46   and name HB1 ))
 )(
   (( segid "    " and resid 46   and name HN  ))
 )
      5.000     5.000     0.000 peak  8249 weight  0.10000E+01 volume  0.41000E+00 ppm1      1.845 ppm2      8.488
 ASSI (
   (( segid "    " and resid 46   and name HB1 ))
 )(
   (( segid "    " and resid 54   and name HE3 ))
 )
      5.000     5.000     0.000 peak  8250 weight  0.10000E+01 volume  0.59200E+00 ppm1      1.842 ppm2      7.071
 ASSI (
   (( segid "    " and resid 46   and name HB2 ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )
      5.000     5.000     0.000 peak  5333 weight  0.10000E+01 volume  0.65200E+00 ppm1      1.027 ppm2      0.000
 ASSI (
   (( segid "    " and resid 46   and name HB2 ))
 )(
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )
      5.000     5.000     0.000 peak  5334 weight  0.10000E+01 volume  0.56000E+00 ppm1      1.027 ppm2     -0.141
 ASSI (
   (( segid "    " and resid 46   and name HB2 ))
 )(
   (( segid "    " and resid 46   and name HG  ))
 )
      5.000     5.000     0.000 peak  5332 weight  0.10000E+01 volume  0.37700E+00 ppm1      1.029 ppm2      1.419
 ASSI (
   (( segid "    " and resid 46   and name HB2 ))
 )(
   (( segid "    " and resid 46   and name HN  ))
 )
      5.000     5.000     0.000 peak  6468 weight  0.10000E+01 volume  0.46700E+00 ppm1      1.028 ppm2      8.486
 ASSI (
   (( segid "    " and resid 46   and name HB2 ))
 )(
   (( segid "    " and resid 54   and name HE3 ))
 )
      5.000     5.000     0.000 peak  8252 weight  0.10000E+01 volume  0.47700E+00 ppm1      1.029 ppm2      7.072
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 5    and name HG2 ))
 )
      5.000     5.000     0.000 peak  8291 weight  0.10000E+01 volume  0.40700E+00 ppm1     -0.001 ppm2      0.921
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 6    and name HB1 ))
 )
      6.000     6.000     0.000 peak  8283 weight  0.10000E+01 volume  0.12000E+00 ppm1     -0.003 ppm2      2.149
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 6    and name HB2 ))
 )
      5.000     5.000     0.000 peak  8286 weight  0.10000E+01 volume  0.31400E+00 ppm1     -0.004 ppm2      1.651
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 6    and name HG1 ))
 )
      6.000     6.000     0.000 peak  8284 weight  0.10000E+01 volume  0.27400E+00 ppm1     -0.003 ppm2      2.004
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 45   and name HN  ))
 )
      6.000     6.000     0.000 peak  8276 weight  0.10000E+01 volume  0.17100E+00 ppm1     -0.001 ppm2      6.540
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 46   and name HG  ))
 )
      3.300     3.300     0.000 peak  8288 weight  0.10000E+01 volume  0.16610E+01 ppm1     -0.002 ppm2      1.425
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 54   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5358 weight  0.10000E+01 volume  0.45300E+00 ppm1     -0.002 ppm2      3.063
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 54   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5357 weight  0.10000E+01 volume  0.68700E+00 ppm1     -0.002 ppm2      2.903
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 54   and name HE3 ))
 )
      5.000     5.000     0.000 peak  8271 weight  0.10000E+01 volume  0.44100E+00 ppm1     -0.002 ppm2      7.068
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 54   and name HZ2 ))
 )
      6.000     6.000     0.000 peak  8273 weight  0.10000E+01 volume  0.28900E+00 ppm1     -0.002 ppm2      6.926
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 56   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8282 weight  0.10000E+01 volume  0.19500E+00 ppm1     -0.003 ppm2      3.659
 ASSI (
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8274 weight  0.10000E+01 volume  0.46800E+00 ppm1     -0.002 ppm2      6.833
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 45   and name HN  ))
 )
      6.000     6.000     0.000 peak  8295 weight  0.10000E+01 volume  0.25800E+00 ppm1     -0.149 ppm2      6.529
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 46   and name HG  ))
 )
      5.000     5.000     0.000 peak  8304 weight  0.10000E+01 volume  0.13300E+01 ppm1     -0.148 ppm2      1.423
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 46   and name HN  ))
 )
      5.000     5.000     0.000 peak  6465 weight  0.10000E+01 volume  0.52500E+00 ppm1     -0.150 ppm2      8.487
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 56   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5611 weight  0.10000E+01 volume  0.37400E+00 ppm1     -0.148 ppm2      3.653
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 56   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5610 weight  0.10000E+01 volume  0.31700E+00 ppm1     -0.148 ppm2      3.209
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )
      6.000     6.000     0.000 peak  8294 weight  0.10000E+01 volume  0.13000E+00 ppm1     -0.149 ppm2      6.669
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 57   and name HN  ))
 )
      6.000     6.000     0.000 peak  6604 weight  0.10000E+01 volume  0.22600E+00 ppm1     -0.149 ppm2      8.540
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 59   and name HE2 ))
  OR 
   (( segid "    " and resid 59   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7382 weight  0.10000E+01 volume  0.10340E+01 ppm1     -0.148 ppm2      6.896
 ASSI (
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )(
   (( segid "    " and resid 59   and name HZ  ))
 )
      5.000     5.000     0.000 peak  8296 weight  0.10000E+01 volume  0.41900E+00 ppm1     -0.149 ppm2      6.337
 ASSI (
   (( segid "    " and resid 46   and name HG  ))
 )(
   (( segid "    " and resid 47   and name HN  ))
 )
      5.000     5.000     0.000 peak  5960 weight  0.10000E+01 volume  0.31200E+00 ppm1      1.406 ppm2      8.496
 ASSI (
   (( segid "    " and resid 46   and name HG  ))
 )(
   (( segid "    " and resid 56   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8263 weight  0.10000E+01 volume  0.31600E+00 ppm1      1.406 ppm2      3.657
 ASSI (
   (( segid "    " and resid 46   and name HG  ))
 )(
   (( segid "    " and resid 56   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8264 weight  0.10000E+01 volume  0.58700E+00 ppm1      1.405 ppm2      3.220
 ASSI (
   (( segid "    " and resid 46   and name HG  ))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8260 weight  0.10000E+01 volume  0.47100E+00 ppm1      1.406 ppm2      6.829
 ASSI (
   (( segid "    " and resid 46   and name HG  ))
 )(
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )
      6.000     6.000     0.000 peak  8262 weight  0.10000E+01 volume  0.22100E+00 ppm1      1.407 ppm2      6.664
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 28   and name HG23))
  OR 
   (( segid "    " and resid 28   and name HG22))
  OR 
   (( segid "    " and resid 28   and name HG21))
 )
      6.000     6.000     0.000 peak  4975 weight  0.10000E+01 volume  0.28800E+00 ppm1      5.577 ppm2      1.155
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HG22))
  OR 
   (( segid "    " and resid 47   and name HG21))
 )
      5.000     5.000     0.000 peak  8308 weight  0.10000E+01 volume  0.11350E+01 ppm1      5.577 ppm2      0.994
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 48   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8307 weight  0.10000E+01 volume  0.14800E+00 ppm1      5.573 ppm2      2.388
 ASSI (
   (( segid "    " and resid 47   and name HA  ))
 )(
   (( segid "    " and resid 48   and name HN  ))
 )
      3.300     3.300     0.000 peak  5966 weight  0.10000E+01 volume  0.18850E+01 ppm1      5.576 ppm2      8.517
 ASSI (
   (( segid "    " and resid 47   and name HB  ))
 )(
   (( segid "    " and resid 28   and name HG23))
  OR 
   (( segid "    " and resid 28   and name HG22))
  OR 
   (( segid "    " and resid 28   and name HG21))
 )
      6.000     6.000     0.000 peak  8311 weight  0.10000E+01 volume  0.23900E+00 ppm1      3.785 ppm2      1.152
 ASSI (
   (( segid "    " and resid 47   and name HB  ))
 )(
   (( segid "    " and resid 46   and name HA  ))
 )
      6.000     6.000     0.000 peak  8310 weight  0.10000E+01 volume  0.20900E+00 ppm1      3.783 ppm2      4.873
 ASSI (
   (( segid "    " and resid 47   and name HB  ))
 )(
   (( segid "    " and resid 47   and name HA  ))
 )
      5.000     5.000     0.000 peak  8309 weight  0.10000E+01 volume  0.45600E+00 ppm1      3.785 ppm2      5.591
 ASSI (
   (( segid "    " and resid 47   and name HB  ))
 )(
   (( segid "    " and resid 47   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HG22))
  OR 
   (( segid "    " and resid 47   and name HG21))
 )
      2.700     2.700     0.000 peak  8312 weight  0.10000E+01 volume  0.48110E+01 ppm1      3.784 ppm2      0.989
 ASSI (
   (( segid "    " and resid 47   and name HB  ))
 )(
   (( segid "    " and resid 47   and name HN  ))
 )
      5.000     5.000     0.000 peak  4951 weight  0.10000E+01 volume  0.11320E+01 ppm1      3.783 ppm2      8.490
 ASSI (
   (( segid "    " and resid 47   and name HB  ))
 )(
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )
      5.000     5.000     0.000 peak  8313 weight  0.10000E+01 volume  0.36400E+00 ppm1      3.782 ppm2      0.874
 ASSI (
   (( segid "    " and resid 47   and name HB  ))
 )(
   (( segid "    " and resid 55   and name HN  ))
 )
      6.000     6.000     0.000 peak  6591 weight  0.10000E+01 volume  0.14800E+00 ppm1      3.785 ppm2      9.612
 ASSI (
   (( segid "    " and resid 47   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HG22))
  OR 
   (( segid "    " and resid 47   and name HG21))
 )(
   (( segid "    " and resid 47   and name HN  ))
 )
      5.000     5.000     0.000 peak  6479 weight  0.10000E+01 volume  0.43600E+00 ppm1      0.976 ppm2      8.473
 ASSI (
   (( segid "    " and resid 47   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HG22))
  OR 
   (( segid "    " and resid 47   and name HG21))
 )(
   (( segid "    " and resid 48   and name HN  ))
 )
      3.300     3.300     0.000 peak  5963 weight  0.10000E+01 volume  0.16770E+01 ppm1      0.977 ppm2      8.519
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 47   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HG22))
  OR 
   (( segid "    " and resid 47   and name HG21))
 )
      5.000     5.000     0.000 peak  4978 weight  0.10000E+01 volume  0.33200E+00 ppm1      3.973 ppm2      0.980
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 48   and name HB1 ))
 )
      5.000     5.000     0.000 peak  4977 weight  0.10000E+01 volume  0.38600E+00 ppm1      3.972 ppm2      2.382
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 48   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8317 weight  0.10000E+01 volume  0.63200E+00 ppm1      3.974 ppm2      1.342
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 48   and name HN  ))
 )
      6.000     6.000     0.000 peak  8314 weight  0.10000E+01 volume  0.21200E+00 ppm1      3.975 ppm2      8.520
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 49   and name HN  ))
 )
      2.700     2.700     0.000 peak  5970 weight  0.10000E+01 volume  0.31560E+01 ppm1      3.976 ppm2      9.053
 ASSI (
   (( segid "    " and resid 48   and name HA  ))
 )(
   (( segid "    " and resid 55   and name HN  ))
 )
      5.000     5.000     0.000 peak  6592 weight  0.10000E+01 volume  0.34800E+00 ppm1      3.975 ppm2      9.615
 ASSI (
   (( segid "    " and resid 48   and name HB1 ))
 )(
   (( segid "    " and resid 48   and name HB2 ))
 )
      3.300     3.300     0.000 peak  5339 weight  0.10000E+01 volume  0.15940E+01 ppm1      2.371 ppm2      1.337
 ASSI (
   (( segid "    " and resid 48   and name HB1 ))
 )(
   (( segid "    " and resid 48   and name HN  ))
 )
      5.000     5.000     0.000 peak  8319 weight  0.10000E+01 volume  0.64900E+00 ppm1      2.369 ppm2      8.523
 ASSI (
   (( segid "    " and resid 49   and name HA  ))
 )(
   (( segid "    " and resid 49   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8324 weight  0.10000E+01 volume  0.12460E+01 ppm1      4.800 ppm2      3.386
 ASSI (
   (( segid "    " and resid 49   and name HA  ))
 )(
   (( segid "    " and resid 49   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8325 weight  0.10000E+01 volume  0.10210E+01 ppm1      4.800 ppm2      2.871
 ASSI (
   (( segid "    " and resid 49   and name HA  ))
 )(
   (( segid "    " and resid 49   and name HD22))
  OR 
   (( segid "    " and resid 49   and name HD21))
 )
      6.000     6.000     0.000 peak  8322 weight  0.10000E+01 volume  0.24000E+00 ppm1      4.801 ppm2      7.147
 ASSI (
   (( segid "    " and resid 49   and name HA  ))
 )(
   (( segid "    " and resid 49   and name HN  ))
 )
      5.000     5.000     0.000 peak  6506 weight  0.10000E+01 volume  0.49500E+00 ppm1      4.801 ppm2      9.053
 ASSI (
   (( segid "    " and resid 49   and name HB1 ))
 )(
   (( segid "    " and resid 49   and name HB2 ))
 )
      3.300     3.300     0.000 peak  8333 weight  0.10000E+01 volume  0.21630E+01 ppm1      3.369 ppm2      2.873
 ASSI (
   (( segid "    " and resid 49   and name HB1 ))
 )(
   (( segid "    " and resid 49   and name HD22))
  OR 
   (( segid "    " and resid 49   and name HD21))
 )
      5.000     5.000     0.000 peak  8326 weight  0.10000E+01 volume  0.83400E+00 ppm1      3.366 ppm2      7.139
 ASSI (
   (( segid "    " and resid 49   and name HB1 ))
 )(
   (( segid "    " and resid 49   and name HN  ))
 )
      5.000     5.000     0.000 peak  6504 weight  0.10000E+01 volume  0.33600E+00 ppm1      3.367 ppm2      9.056
 ASSI (
   (( segid "    " and resid 49   and name HB2 ))
 )(
   (( segid "    " and resid 49   and name HD22))
  OR 
   (( segid "    " and resid 49   and name HD21))
 )
      5.000     5.000     0.000 peak  8328 weight  0.10000E+01 volume  0.91100E+00 ppm1      2.865 ppm2      7.143
 ASSI (
   (( segid "    " and resid 49   and name HB2 ))
 )(
   (( segid "    " and resid 49   and name HN  ))
 )
      5.000     5.000     0.000 peak  6502 weight  0.10000E+01 volume  0.32100E+00 ppm1      2.864 ppm2      9.054
 ASSI (
   (( segid "    " and resid 49   and name HB2 ))
 )(
   (( segid "    " and resid 50   and name HN  ))
 )
      5.000     5.000     0.000 peak  5973 weight  0.10000E+01 volume  0.10580E+01 ppm1      2.864 ppm2      8.163
 ASSI (
   (( segid "    " and resid 50   and name HA  ))
 )(
   (( segid "    " and resid 49   and name HA  ))
 )
      6.000     6.000     0.000 peak  8334 weight  0.10000E+01 volume  0.28600E+00 ppm1      4.122 ppm2      4.794
 ASSI (
   (( segid "    " and resid 50   and name HA  ))
 )(
   (( segid "    " and resid 50   and name HB1 ))
 )
      3.300     3.300     0.000 peak  8335 weight  0.10000E+01 volume  0.19860E+01 ppm1      4.123 ppm2      3.939
 ASSI (
   (( segid "    " and resid 50   and name HA  ))
 )(
   (( segid "    " and resid 50   and name HB2 ))
 )
      3.300     3.300     0.000 peak  8336 weight  0.10000E+01 volume  0.18410E+01 ppm1      4.123 ppm2      3.808
 ASSI (
   (( segid "    " and resid 50   and name HA  ))
 )(
   (( segid "    " and resid 50   and name HN  ))
 )
      5.000     5.000     0.000 peak  6521 weight  0.10000E+01 volume  0.75100E+00 ppm1      4.122 ppm2      8.154
 ASSI (
   (( segid "    " and resid 50   and name HA  ))
 )(
   (( segid "    " and resid 51   and name HN  ))
 )
      5.000     5.000     0.000 peak  5981 weight  0.10000E+01 volume  0.33900E+00 ppm1      4.122 ppm2      7.651
 ASSI (
   (( segid "    " and resid 50   and name HA  ))
 )(
   (( segid "    " and resid 52   and name HN  ))
 )
      5.000     5.000     0.000 peak  6549 weight  0.10000E+01 volume  0.39100E+00 ppm1      4.123 ppm2      7.916
 ASSI (
   (( segid "    " and resid 47   and name HB  ))
 )(
   (( segid "    " and resid 49   and name HA  ))
 )
      5.000     5.000     0.000 peak  8342 weight  0.10000E+01 volume  0.30900E+00 ppm1      3.794 ppm2      4.812
 ASSI (
   (( segid "    " and resid 50   and name HB1 ))
 )(
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )
      5.000     5.000     0.000 peak  5347 weight  0.10000E+01 volume  0.12170E+01 ppm1      3.921 ppm2      1.051
 ASSI (
   (( segid "    " and resid 50   and name HB1 ))
 )(
   (( segid "    " and resid 49   and name HA  ))
 )
      6.000     6.000     0.000 peak  8341 weight  0.10000E+01 volume  0.27100E+00 ppm1      3.922 ppm2      4.815
 ASSI (
   (( segid "    " and resid 50   and name HB2 ))
 )(
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )
      3.300     3.300     0.000 peak  8348 weight  0.10000E+01 volume  0.18640E+01 ppm1      3.794 ppm2      1.053
 ASSI (
   (( segid "    " and resid 51   and name HA  ))
 )(
   (( segid "    " and resid 51   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8349 weight  0.10000E+01 volume  0.99100E+00 ppm1      4.736 ppm2      2.798
 ASSI (
   (( segid "    " and resid 51   and name HA  ))
 )(
   (( segid "    " and resid 51   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8350 weight  0.10000E+01 volume  0.74700E+00 ppm1      4.737 ppm2      2.561
 ASSI (
   (( segid "    " and resid 51   and name HA  ))
 )(
   (( segid "    " and resid 52   and name HN  ))
 )
      5.000     5.000     0.000 peak  6550 weight  0.10000E+01 volume  0.35100E+00 ppm1      4.736 ppm2      7.916
 ASSI (
   (( segid "    " and resid 51   and name HB1 ))
 )(
   (( segid "    " and resid 49   and name HD22))
  OR 
   (( segid "    " and resid 49   and name HD21))
 )
      6.000     6.000     0.000 peak  8352 weight  0.10000E+01 volume  0.29400E+00 ppm1      2.785 ppm2      7.153
 ASSI (
   (( segid "    " and resid 51   and name HB1 ))
 )(
   (( segid "    " and resid 51   and name HN  ))
 )
      5.000     5.000     0.000 peak  6530 weight  0.10000E+01 volume  0.66200E+00 ppm1      2.783 ppm2      7.642
 ASSI (
   (( segid "    " and resid 51   and name HB2 ))
 )(
   (( segid "    " and resid 49   and name HD22))
  OR 
   (( segid "    " and resid 49   and name HD21))
 )
      5.000     5.000     0.000 peak  8353 weight  0.10000E+01 volume  0.34700E+00 ppm1      2.546 ppm2      7.147
 ASSI (
   (( segid "    " and resid 51   and name HB2 ))
 )(
   (( segid "    " and resid 51   and name HN  ))
 )
      5.000     5.000     0.000 peak  6528 weight  0.10000E+01 volume  0.83500E+00 ppm1      2.547 ppm2      7.641
 ASSI (
   (( segid "    " and resid 51   and name HB2 ))
 )(
   (( segid "    " and resid 53   and name HG1 ))
 )
      5.000     5.000     0.000 peak  5350 weight  0.10000E+01 volume  0.35500E+00 ppm1      2.547 ppm2      2.151
 ASSI (
   (( segid "    " and resid 52   and name HA1 ))
 )(
   (( segid "    " and resid 52   and name HA2 ))
 )
      2.700     2.700     0.000 peak  8360 weight  0.10000E+01 volume  0.44770E+01 ppm1      3.686 ppm2      3.421
 ASSI (
   (( segid "    " and resid 52   and name HA1 ))
 )(
   (( segid "    " and resid 52   and name HN  ))
 )
      5.000     5.000     0.000 peak  6548 weight  0.10000E+01 volume  0.75500E+00 ppm1      3.683 ppm2      7.922
 ASSI (
   (( segid "    " and resid 52   and name HA1 ))
 )(
   (( segid "    " and resid 53   and name HN  ))
 )
      5.000     5.000     0.000 peak  5995 weight  0.10000E+01 volume  0.35200E+00 ppm1      3.682 ppm2      7.517
 ASSI (
   (( segid "    " and resid 52   and name HA2 ))
 )(
   (( segid "    " and resid 53   and name HN  ))
 )
      5.000     5.000     0.000 peak  5993 weight  0.10000E+01 volume  0.48800E+00 ppm1      3.416 ppm2      7.522
 ASSI (
   (( segid "    " and resid 53   and name HA  ))
 )(
   (( segid "    " and resid 53   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8363 weight  0.10000E+01 volume  0.53500E+00 ppm1      4.487 ppm2      1.914
 ASSI (
   (( segid "    " and resid 53   and name HA  ))
 )(
   (( segid "    " and resid 53   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8365 weight  0.10000E+01 volume  0.46600E+00 ppm1      4.486 ppm2      1.759
 ASSI (
   (( segid "    " and resid 53   and name HA  ))
 )(
   (( segid "    " and resid 53   and name HG1 ))
 )
      6.000     6.000     0.000 peak  8364 weight  0.10000E+01 volume  0.24200E+00 ppm1      4.486 ppm2      2.170
 ASSI (
   (( segid "    " and resid 53   and name HB1 ))
 )(
   (( segid "    " and resid 49   and name HD22))
  OR 
   (( segid "    " and resid 49   and name HD21))
 )
      5.000     5.000     0.000 peak  8366 weight  0.10000E+01 volume  0.32400E+00 ppm1      1.892 ppm2      7.155
 ASSI (
   (( segid "    " and resid 53   and name HB1 ))
 )(
   (( segid "    " and resid 53   and name HN  ))
 )
      5.000     5.000     0.000 peak  6559 weight  0.10000E+01 volume  0.36100E+00 ppm1      1.900 ppm2      7.510
 ASSI (
   (( segid "    " and resid 53   and name HB2 ))
 )(
   (( segid "    " and resid 49   and name HD22))
  OR 
   (( segid "    " and resid 49   and name HD21))
 )
      5.000     5.000     0.000 peak  8368 weight  0.10000E+01 volume  0.44000E+00 ppm1      1.746 ppm2      7.157
 ASSI (
   (( segid "    " and resid 53   and name HB2 ))
 )(
   (( segid "    " and resid 53   and name HN  ))
 )
      5.000     5.000     0.000 peak  6557 weight  0.10000E+01 volume  0.53800E+00 ppm1      1.747 ppm2      7.513
 ASSI (
   (( segid "    " and resid 53   and name HG1 ))
 )(
   (( segid "    " and resid 54   and name HN  ))
 )
      3.300     3.300     0.000 peak  8371 weight  0.10000E+01 volume  0.17450E+01 ppm1      2.154 ppm2      8.383
 ASSI (
   (( segid "    " and resid 53   and name HG2 ))
 )(
   (( segid "    " and resid 54   and name HA  ))
 )
      5.000     5.000     0.000 peak  8374 weight  0.10000E+01 volume  0.37800E+00 ppm1      2.047 ppm2      4.970
 ASSI (
   (( segid "    " and resid 53   and name HG2 ))
 )(
   (( segid "    " and resid 54   and name HN  ))
 )
      5.000     5.000     0.000 peak  8372 weight  0.10000E+01 volume  0.13660E+01 ppm1      2.047 ppm2      8.378
 ASSI (
   (( segid "    " and resid 53   and name HG2 ))
 )(
   (( segid "    " and resid 55   and name HN  ))
 )
      5.000     5.000     0.000 peak  6586 weight  0.10000E+01 volume  0.46900E+00 ppm1      2.047 ppm2      9.620
 ASSI (
   (( segid "    " and resid 54   and name HA  ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )
      6.000     6.000     0.000 peak  8377 weight  0.10000E+01 volume  0.28000E+00 ppm1      4.974 ppm2      0.022
 ASSI (
   (( segid "    " and resid 54   and name HA  ))
 )(
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )
      6.000     6.000     0.000 peak  8378 weight  0.10000E+01 volume  0.26000E+00 ppm1      4.974 ppm2     -0.132
 ASSI (
   (( segid "    " and resid 54   and name HA  ))
 )(
   (( segid "    " and resid 49   and name HN  ))
 )
      5.000     5.000     0.000 peak  6508 weight  0.10000E+01 volume  0.45900E+00 ppm1      4.973 ppm2      9.051
 ASSI (
   (( segid "    " and resid 54   and name HA  ))
 )(
   (( segid "    " and resid 54   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7405 weight  0.10000E+01 volume  0.10330E+01 ppm1      4.974 ppm2      3.079
 ASSI (
   (( segid "    " and resid 54   and name HA  ))
 )(
   (( segid "    " and resid 54   and name HB2 ))
 )
      5.000     5.000     0.000 peak  7407 weight  0.10000E+01 volume  0.11590E+01 ppm1      4.974 ppm2      2.895
 ASSI (
   (( segid "    " and resid 54   and name HA  ))
 )(
   (( segid "    " and resid 54   and name HE3 ))
 )
      5.000     5.000     0.000 peak  4963 weight  0.10000E+01 volume  0.36900E+00 ppm1      4.972 ppm2      7.073
 ASSI (
   (( segid "    " and resid 54   and name HA  ))
 )(
   (( segid "    " and resid 54   and name HN  ))
 )
      5.000     5.000     0.000 peak  6577 weight  0.10000E+01 volume  0.49200E+00 ppm1      4.973 ppm2      8.392
 ASSI (
   (( segid "    " and resid 54   and name HA  ))
 )(
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )
      5.000     5.000     0.000 peak  8376 weight  0.10000E+01 volume  0.43800E+00 ppm1      4.975 ppm2      0.877
 ASSI (
   (( segid "    " and resid 54   and name HA  ))
 )(
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )
      5.000     5.000     0.000 peak  5622 weight  0.10000E+01 volume  0.58700E+00 ppm1      4.974 ppm2      0.956
 ASSI (
   (( segid "    " and resid 54   and name HA  ))
 )(
   (( segid "    " and resid 55   and name HN  ))
 )
      3.300     3.300     0.000 peak  6006 weight  0.10000E+01 volume  0.22840E+01 ppm1      4.973 ppm2      9.620
 ASSI (
   (( segid "    " and resid 54   and name HB1 ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )
      5.000     5.000     0.000 peak  5355 weight  0.10000E+01 volume  0.38000E+00 ppm1      3.061 ppm2      0.016
 ASSI (
   (( segid "    " and resid 54   and name HB1 ))
 )(
   (( segid "    " and resid 54   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7402 weight  0.10000E+01 volume  0.43600E+00 ppm1      3.072 ppm2      7.300
 ASSI (
   (( segid "    " and resid 54   and name HB1 ))
 )(
   (( segid "    " and resid 55   and name HN  ))
 )
      5.000     5.000     0.000 peak  6589 weight  0.10000E+01 volume  0.32900E+00 ppm1      3.074 ppm2      9.614
 ASSI (
   (( segid "    " and resid 54   and name HB2 ))
 )(
   (( segid "    " and resid 54   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7403 weight  0.10000E+01 volume  0.35900E+00 ppm1      2.899 ppm2      7.300
 ASSI (
   (( segid "    " and resid 54   and name HB2 ))
 )(
   (( segid "    " and resid 54   and name HE3 ))
 )
      5.000     5.000     0.000 peak  8379 weight  0.10000E+01 volume  0.31500E+00 ppm1      2.900 ppm2      7.068
 ASSI (
   (( segid "    " and resid 54   and name HB2 ))
 )(
   (( segid "    " and resid 54   and name HN  ))
 )
      5.000     5.000     0.000 peak  6572 weight  0.10000E+01 volume  0.58300E+00 ppm1      2.900 ppm2      8.396
 ASSI (
   (( segid "    " and resid 54   and name HD1 ))
 )(
   (( segid "    " and resid 54   and name HE1 ))
 )
      5.000     5.000     0.000 peak  6666 weight  0.10000E+01 volume  0.71400E+00 ppm1      7.276 ppm2     10.005
 ASSI (
   (( segid "    " and resid 54   and name HD1 ))
 )(
   (( segid "    " and resid 54   and name HN  ))
 )
      5.000     5.000     0.000 peak  6580 weight  0.10000E+01 volume  0.32300E+00 ppm1      7.276 ppm2      8.392
 ASSI (
   (( segid "    " and resid 54   and name HE3 ))
 )(
   (( segid "    " and resid 47   and name HN  ))
 )
      6.000     6.000     0.000 peak  6486 weight  0.10000E+01 volume  0.19600E+00 ppm1      7.054 ppm2      8.491
 ASSI (
   (( segid "    " and resid 54   and name HE3 ))
 )(
   (( segid "    " and resid 54   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8382 weight  0.10000E+01 volume  0.17000E+00 ppm1      7.053 ppm2      3.079
 ASSI (
   (( segid "    " and resid 54   and name HE3 ))
 )(
   (( segid "    " and resid 54   and name HZ3 ))
 )
      5.000     5.000     0.000 peak  7466 weight  0.10000E+01 volume  0.35600E+00 ppm1      7.056 ppm2      6.700
 ASSI (
   (( segid "    " and resid 54   and name HH2 ))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      5.000     5.000     0.000 peak  8002 weight  0.10000E+01 volume  0.49100E+00 ppm1      6.228 ppm2      0.078
 ASSI (
   (( segid "    " and resid 54   and name HH2 ))
 )(
   (( segid "    " and resid 54   and name HZ2 ))
 )
      5.000     5.000     0.000 peak  6704 weight  0.10000E+01 volume  0.38500E+00 ppm1      6.230 ppm2      6.957
 ASSI (
   (( segid "    " and resid 54   and name HZ3 ))
 )(
   (( segid "    " and resid 54   and name HH2 ))
 )
      5.000     5.000     0.000 peak  6707 weight  0.10000E+01 volume  0.37100E+00 ppm1      6.702 ppm2      6.240
 ASSI (
   (( segid "    " and resid 55   and name HA  ))
 )(
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )
      3.300     3.300     0.000 peak  8388 weight  0.10000E+01 volume  0.18280E+01 ppm1      4.433 ppm2      0.967
 ASSI (
   (( segid "    " and resid 55   and name HA  ))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8386 weight  0.10000E+01 volume  0.31500E+00 ppm1      4.432 ppm2      6.830
 ASSI (
   (( segid "    " and resid 55   and name HB  ))
 )(
   (( segid "    " and resid 47   and name HB  ))
 )
      5.000     5.000     0.000 peak  5362 weight  0.10000E+01 volume  0.72600E+00 ppm1      2.046 ppm2      3.789
 ASSI (
   (( segid "    " and resid 55   and name HB  ))
 )(
   (( segid "    " and resid 47   and name HN  ))
 )
      5.000     5.000     0.000 peak  8390 weight  0.10000E+01 volume  0.36500E+00 ppm1      2.049 ppm2      8.498
 ASSI (
   (( segid "    " and resid 55   and name HB  ))
 )(
   (( segid "    " and resid 54   and name HB2 ))
 )
      6.000     6.000     0.000 peak  8392 weight  0.10000E+01 volume  0.24800E+00 ppm1      2.050 ppm2      2.882
 ASSI (
   (( segid "    " and resid 55   and name HB  ))
 )(
   (( segid "    " and resid 55   and name HA  ))
 )
      3.300     3.300     0.000 peak  8391 weight  0.10000E+01 volume  0.17870E+01 ppm1      2.050 ppm2      4.452
 ASSI (
   (( segid "    " and resid 55   and name HB  ))
 )(
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )
      3.300     3.300     0.000 peak  8394 weight  0.10000E+01 volume  0.17860E+01 ppm1      2.051 ppm2      0.974
 ASSI (
   (( segid "    " and resid 55   and name HB  ))
 )(
   (( segid "    " and resid 55   and name HN  ))
 )
      5.000     5.000     0.000 peak  8389 weight  0.10000E+01 volume  0.84100E+00 ppm1      2.048 ppm2      9.619
 ASSI (
   (( segid "    " and resid 55   and name HB  ))
 )(
   (( segid "    " and resid 56   and name HN  ))
 )
      5.000     5.000     0.000 peak  6012 weight  0.10000E+01 volume  0.48100E+00 ppm1      2.051 ppm2      7.810
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )(
   (( segid "    " and resid 49   and name HD22))
  OR 
   (( segid "    " and resid 49   and name HD21))
 )
      3.300     3.300     0.000 peak  8405 weight  0.10000E+01 volume  0.29950E+01 ppm1      0.958 ppm2      7.143
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )(
   (( segid "    " and resid 49   and name HN  ))
 )
      5.000     5.000     0.000 peak  5968 weight  0.10000E+01 volume  0.64500E+00 ppm1      0.958 ppm2      9.052
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )(
   (( segid "    " and resid 50   and name HN  ))
 )
      5.000     5.000     0.000 peak  6517 weight  0.10000E+01 volume  0.43300E+00 ppm1      0.958 ppm2      8.160
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )(
   (( segid "    " and resid 53   and name HN  ))
 )
      6.000     6.000     0.000 peak  6555 weight  0.10000E+01 volume  0.18200E+00 ppm1      0.958 ppm2      7.509
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )(
   (( segid "    " and resid 55   and name HN  ))
 )
      3.300     3.300     0.000 peak  6584 weight  0.10000E+01 volume  0.17350E+01 ppm1      0.958 ppm2      9.615
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8407 weight  0.10000E+01 volume  0.36700E+00 ppm1      0.958 ppm2      6.837
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )(
   (( segid "    " and resid 56   and name HN  ))
 )
      3.300     3.300     0.000 peak  8403 weight  0.10000E+01 volume  0.15930E+01 ppm1      0.956 ppm2      7.818
 ASSI (
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )(
   (( segid "    " and resid 49   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8401 weight  0.10000E+01 volume  0.11010E+01 ppm1      0.875 ppm2      3.381
 ASSI (
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )(
   (( segid "    " and resid 49   and name HB2 ))
 )
      3.300     3.300     0.000 peak  8400 weight  0.10000E+01 volume  0.15390E+01 ppm1      0.875 ppm2      2.881
 ASSI (
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )(
   (( segid "    " and resid 49   and name HD22))
  OR 
   (( segid "    " and resid 49   and name HD21))
 )
      3.300     3.300     0.000 peak  8396 weight  0.10000E+01 volume  0.26000E+01 ppm1      0.875 ppm2      7.145
 ASSI (
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )(
   (( segid "    " and resid 55   and name HA  ))
 )
      2.700     2.700     0.000 peak  8398 weight  0.10000E+01 volume  0.31680E+01 ppm1      0.875 ppm2      4.453
 ASSI (
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )(
   (( segid "    " and resid 55   and name HB  ))
 )
      2.700     2.700     0.000 peak  8402 weight  0.10000E+01 volume  0.58730E+01 ppm1      0.874 ppm2      2.068
 ASSI (
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )(
   (( segid "    " and resid 55   and name HN  ))
 )
      5.000     5.000     0.000 peak  8395 weight  0.10000E+01 volume  0.13590E+01 ppm1      0.875 ppm2      9.608
 ASSI (
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8397 weight  0.10000E+01 volume  0.30000E+00 ppm1      0.872 ppm2      6.835
 ASSI (
   (( segid "    " and resid 55   and name HG13))
  OR 
   (( segid "    " and resid 55   and name HG12))
  OR 
   (( segid "    " and resid 55   and name HG11))
 )(
   (( segid "    " and resid 56   and name HN  ))
 )
      3.300     3.300     0.000 peak  6599 weight  0.10000E+01 volume  0.17460E+01 ppm1      0.876 ppm2      7.809
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )(
   (( segid "    " and resid 49   and name HB1 ))
 )
      3.300     3.300     0.000 peak  5343 weight  0.10000E+01 volume  0.16300E+01 ppm1      0.957 ppm2      3.374
 ASSI (
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
 )(
   (( segid "    " and resid 49   and name HB2 ))
 )
      3.300     3.300     0.000 peak  5345 weight  0.10000E+01 volume  0.21090E+01 ppm1      0.959 ppm2      2.873
 ASSI (
   (( segid "    " and resid 56   and name HB1 ))
 )(
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )
      6.000     6.000     0.000 peak  8414 weight  0.10000E+01 volume  0.24300E+00 ppm1      3.645 ppm2     -0.151
 ASSI (
   (( segid "    " and resid 56   and name HB1 ))
 )(
   (( segid "    " and resid 56   and name HA  ))
 )
      5.000     5.000     0.000 peak  8408 weight  0.10000E+01 volume  0.38800E+00 ppm1      3.641 ppm2      5.000
 ASSI (
   (( segid "    " and resid 56   and name HB1 ))
 )(
   (( segid "    " and resid 56   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5364 weight  0.10000E+01 volume  0.51300E+00 ppm1      3.639 ppm2      3.214
 ASSI (
   (( segid "    " and resid 56   and name HB1 ))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7408 weight  0.10000E+01 volume  0.37200E+00 ppm1      3.642 ppm2      6.836
 ASSI (
   (( segid "    " and resid 56   and name HB2 ))
 )(
   (( segid "    " and resid 56   and name HA  ))
 )
      5.000     5.000     0.000 peak  8409 weight  0.10000E+01 volume  0.54700E+00 ppm1      3.200 ppm2      5.000
 ASSI (
   (( segid "    " and resid 56   and name HB2 ))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7409 weight  0.10000E+01 volume  0.60200E+00 ppm1      3.206 ppm2      6.836
 ASSI (
   (( segid "    " and resid 56   and name HB2 ))
 )(
   (( segid "    " and resid 57   and name HN  ))
 )
      5.000     5.000     0.000 peak  6608 weight  0.10000E+01 volume  0.34000E+00 ppm1      3.202 ppm2      8.539
 ASSI (
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )(
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )
      5.000     5.000     0.000 peak  8419 weight  0.10000E+01 volume  0.36300E+00 ppm1      6.813 ppm2     -0.134
 ASSI (
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )(
   (( segid "    " and resid 54   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8417 weight  0.10000E+01 volume  0.19000E+00 ppm1      6.814 ppm2      3.085
 ASSI (
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )(
   (( segid "    " and resid 54   and name HB2 ))
 )
      6.000     6.000     0.000 peak  8418 weight  0.10000E+01 volume  0.19400E+00 ppm1      6.813 ppm2      2.910
 ASSI (
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )(
   (( segid "    " and resid 56   and name HA  ))
 )
      5.000     5.000     0.000 peak  8415 weight  0.10000E+01 volume  0.34400E+00 ppm1      6.813 ppm2      5.001
 ASSI (
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )(
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )
      2.700     2.700     0.000 peak  7413 weight  0.10000E+01 volume  0.38050E+01 ppm1      6.814 ppm2      6.648
 ASSI (
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )(
   (( segid "    " and resid 56   and name HN  ))
 )
      6.000     6.000     0.000 peak  6601 weight  0.10000E+01 volume  0.28900E+00 ppm1      6.813 ppm2      7.802
 ASSI (
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )(
   (( segid "    " and resid 6    and name HG1 ))
 )
      6.000     6.000     0.000 peak  7672 weight  0.10000E+01 volume  0.21600E+00 ppm1      6.647 ppm2      1.998
 ASSI (
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )(
   (( segid "    " and resid 6    and name HG2 ))
 )
      5.000     5.000     0.000 peak  7673 weight  0.10000E+01 volume  0.41200E+00 ppm1      6.647 ppm2      1.460
 ASSI (
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )(
   (( segid "    " and resid 54   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8421 weight  0.10000E+01 volume  0.55700E+00 ppm1      6.647 ppm2      3.080
 ASSI (
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )(
   (( segid "    " and resid 54   and name HB2 ))
 )
      6.000     6.000     0.000 peak  8422 weight  0.10000E+01 volume  0.17900E+00 ppm1      6.647 ppm2      2.904
 ASSI (
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      2.700     2.700     0.000 peak  7489 weight  0.10000E+01 volume  0.38530E+01 ppm1      6.649 ppm2      6.818
 ASSI (
   (( segid "    " and resid 57   and name HA  ))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8424 weight  0.10000E+01 volume  0.18200E+00 ppm1      4.875 ppm2      6.827
 ASSI (
   (( segid "    " and resid 57   and name HA  ))
 )(
   (( segid "    " and resid 57   and name HN  ))
 )
      5.000     5.000     0.000 peak  8423 weight  0.10000E+01 volume  0.63600E+00 ppm1      4.876 ppm2      8.550
 ASSI (
   (( segid "    " and resid 57   and name HA  ))
 )(
   (( segid "    " and resid 58   and name HA  ))
 )
      6.000     6.000     0.000 peak  4989 weight  0.10000E+01 volume  0.18800E+00 ppm1      4.876 ppm2      3.595
 ASSI (
   (( segid "    " and resid 57   and name HA  ))
 )(
   (( segid "    " and resid 58   and name HB  ))
 )
      6.000     6.000     0.000 peak  4987 weight  0.10000E+01 volume  0.24500E+00 ppm1      4.876 ppm2      3.862
 ASSI (
   (( segid "    " and resid 57   and name HA  ))
 )(
   (( segid "    " and resid 58   and name HN  ))
 )
      3.300     3.300     0.000 peak  6024 weight  0.10000E+01 volume  0.17680E+01 ppm1      4.876 ppm2      8.274
 ASSI (
   (( segid "    " and resid 57   and name HB2 ))
  OR 
   (( segid "    " and resid 57   and name HB1 ))
 )(
   (( segid "    " and resid 56   and name HA  ))
 )
      5.000     5.000     0.000 peak  8429 weight  0.10000E+01 volume  0.78700E+00 ppm1      2.664 ppm2      5.005
 ASSI (
   (( segid "    " and resid 57   and name HB2 ))
  OR 
   (( segid "    " and resid 57   and name HB1 ))
 )(
   (( segid "    " and resid 57   and name HA  ))
 )
      2.700     2.700     0.000 peak  8430 weight  0.10000E+01 volume  0.31590E+01 ppm1      2.665 ppm2      4.890
 ASSI (
   (( segid "    " and resid 57   and name HB2 ))
  OR 
   (( segid "    " and resid 57   and name HB1 ))
 )(
   (( segid "    " and resid 57   and name HD21))
 )
      5.000     5.000     0.000 peak  4990 weight  0.10000E+01 volume  0.12230E+01 ppm1      2.665 ppm2      7.302
 ASSI (
   (( segid "    " and resid 57   and name HB2 ))
  OR 
   (( segid "    " and resid 57   and name HB1 ))
 )(
   (( segid "    " and resid 57   and name HD22))
 )
      5.000     5.000     0.000 peak  8426 weight  0.10000E+01 volume  0.39100E+00 ppm1      2.665 ppm2      6.585
 ASSI (
   (( segid "    " and resid 57   and name HB2 ))
  OR 
   (( segid "    " and resid 57   and name HB1 ))
 )(
   (( segid "    " and resid 57   and name HN  ))
 )
      5.000     5.000     0.000 peak  6606 weight  0.10000E+01 volume  0.85800E+00 ppm1      2.665 ppm2      8.547
 ASSI (
   (( segid "    " and resid 57   and name HB2 ))
  OR 
   (( segid "    " and resid 57   and name HB1 ))
 )(
   (( segid "    " and resid 58   and name HB  ))
 )
      5.000     5.000     0.000 peak  5366 weight  0.10000E+01 volume  0.40200E+00 ppm1      2.665 ppm2      3.858
 ASSI (
   (( segid "    " and resid 57   and name HB2 ))
  OR 
   (( segid "    " and resid 57   and name HB1 ))
 )(
   (( segid "    " and resid 58   and name HN  ))
 )
      3.300     3.300     0.000 peak  6021 weight  0.10000E+01 volume  0.18420E+01 ppm1      2.665 ppm2      8.266
 ASSI (
   (( segid "    " and resid 58   and name HA  ))
 )(
   (( segid "    " and resid 58   and name HB  ))
 )
      5.000     5.000     0.000 peak  8434 weight  0.10000E+01 volume  0.93800E+00 ppm1      3.572 ppm2      3.855
 ASSI (
   (( segid "    " and resid 58   and name HA  ))
 )(
   (( segid "    " and resid 59   and name HZ  ))
 )
      6.000     6.000     0.000 peak  8433 weight  0.10000E+01 volume  0.28900E+00 ppm1      3.571 ppm2      6.320
 ASSI (
   (( segid "    " and resid 58   and name HA  ))
 )(
   (( segid "    " and resid 60   and name HN  ))
 )
      6.000     6.000     0.000 peak  6620 weight  0.10000E+01 volume  0.20000E+00 ppm1      3.571 ppm2      6.531
 ASSI (
   (( segid "    " and resid 58   and name HB  ))
 )(
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
 )
      3.300     3.300     0.000 peak  8438 weight  0.10000E+01 volume  0.24000E+01 ppm1      3.852 ppm2      0.540
 ASSI (
   (( segid "    " and resid 58   and name HB  ))
 )(
   (( segid "    " and resid 59   and name HA  ))
 )
      5.000     5.000     0.000 peak  8436 weight  0.10000E+01 volume  0.54000E+00 ppm1      3.852 ppm2      4.629
 ASSI (
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
 )(
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )
      5.000     5.000     0.000 peak  8441 weight  0.10000E+01 volume  0.86300E+00 ppm1      0.526 ppm2      6.664
 ASSI (
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
 )(
   (( segid "    " and resid 58   and name HA  ))
 )
      3.300     3.300     0.000 peak  5623 weight  0.10000E+01 volume  0.17070E+01 ppm1      0.524 ppm2      3.578
 ASSI (
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
 )(
   (( segid "    " and resid 58   and name HN  ))
 )
      5.000     5.000     0.000 peak  8439 weight  0.10000E+01 volume  0.47100E+00 ppm1      0.525 ppm2      8.274
 ASSI (
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
 )(
   (( segid "    " and resid 59   and name HA  ))
 )
      5.000     5.000     0.000 peak  5626 weight  0.10000E+01 volume  0.50000E+00 ppm1      0.524 ppm2      4.634
 ASSI (
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
 )(
   (( segid "    " and resid 60   and name HN  ))
 )
      5.000     5.000     0.000 peak  6618 weight  0.10000E+01 volume  0.51000E+00 ppm1      0.527 ppm2      6.533
 ASSI (
   (( segid "    " and resid 58   and name HG23))
  OR 
   (( segid "    " and resid 58   and name HG22))
  OR 
   (( segid "    " and resid 58   and name HG21))
 )(
   (( segid "    " and resid 61   and name HA  ))
 )
      5.000     5.000     0.000 peak  8444 weight  0.10000E+01 volume  0.40700E+00 ppm1      0.525 ppm2      4.487
 ASSI (
   (( segid "    " and resid 59   and name HB1 ))
 )(
   (( segid "    " and resid 59   and name HA  ))
 )
      5.000     5.000     0.000 peak  5367 weight  0.10000E+01 volume  0.45400E+00 ppm1      3.567 ppm2      4.654
 ASSI (
   (( segid "    " and resid 59   and name HB1 ))
 )(
   (( segid "    " and resid 59   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5371 weight  0.10000E+01 volume  0.71600E+00 ppm1      3.565 ppm2      2.937
 ASSI (
   (( segid "    " and resid 59   and name HB1 ))
 )(
   (( segid "    " and resid 59   and name HD2 ))
  OR 
   (( segid "    " and resid 59   and name HD1 ))
 )
      6.000     6.000     0.000 peak  7415 weight  0.10000E+01 volume  0.23000E+00 ppm1      3.570 ppm2      7.736
 ASSI (
   (( segid "    " and resid 59   and name HB2 ))
 )(
   (( segid "    " and resid 59   and name HA  ))
 )
      5.000     5.000     0.000 peak  5368 weight  0.10000E+01 volume  0.80000E+00 ppm1      2.918 ppm2      4.653
 ASSI (
   (( segid "    " and resid 59   and name HB2 ))
 )(
   (( segid "    " and resid 59   and name HD2 ))
  OR 
   (( segid "    " and resid 59   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7414 weight  0.10000E+01 volume  0.50600E+00 ppm1      2.919 ppm2      7.733
 ASSI (
   (( segid "    " and resid 59   and name HD2 ))
  OR 
   (( segid "    " and resid 59   and name HD1 ))
 )(
   (( segid "    " and resid 59   and name HE2 ))
  OR 
   (( segid "    " and resid 59   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7375 weight  0.10000E+01 volume  0.69000E+00 ppm1      7.735 ppm2      6.912
 ASSI (
   (( segid "    " and resid 59   and name HE2 ))
  OR 
   (( segid "    " and resid 59   and name HE1 ))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7381 weight  0.10000E+01 volume  0.77200E+00 ppm1      6.895 ppm2      1.240
 ASSI (
   (( segid "    " and resid 59   and name HE2 ))
  OR 
   (( segid "    " and resid 59   and name HE1 ))
 )(
   (( segid "    " and resid 31   and name HB2 ))
 )
      6.000     6.000     0.000 peak  8447 weight  0.10000E+01 volume  0.27600E+00 ppm1      6.897 ppm2      2.516
 ASSI (
   (( segid "    " and resid 59   and name HE2 ))
  OR 
   (( segid "    " and resid 59   and name HE1 ))
 )(
   (( segid "    " and resid 59   and name HD2 ))
  OR 
   (( segid "    " and resid 59   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7376 weight  0.10000E+01 volume  0.84300E+00 ppm1      6.896 ppm2      7.743
 ASSI (
   (( segid "    " and resid 59   and name HE2 ))
  OR 
   (( segid "    " and resid 59   and name HE1 ))
 )(
   (( segid "    " and resid 59   and name HZ  ))
 )
      5.000     5.000     0.000 peak  7378 weight  0.10000E+01 volume  0.10690E+01 ppm1      6.895 ppm2      6.336
 ASSI (
   (( segid "    " and resid 59   and name HZ  ))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )
      6.000     6.000     0.000 peak  7417 weight  0.10000E+01 volume  0.19600E+00 ppm1      6.326 ppm2      1.247
 ASSI (
   (( segid "    " and resid 60   and name HA  ))
 )(
   (( segid "    " and resid 60   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8448 weight  0.10000E+01 volume  0.35400E+00 ppm1      5.539 ppm2      2.996
 ASSI (
   (( segid "    " and resid 60   and name HA  ))
 )(
   (( segid "    " and resid 61   and name HN  ))
 )
      5.000     5.000     0.000 peak  5214 weight  0.10000E+01 volume  0.87200E+00 ppm1      5.539 ppm2      9.227
 ASSI (
   (( segid "    " and resid 60   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB1 ))
 )(
   (( segid "    " and resid 10   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7579 weight  0.10000E+01 volume  0.10660E+01 ppm1      2.997 ppm2      6.672
 ASSI (
   (( segid "    " and resid 61   and name HA  ))
 )(
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )
      5.000     5.000     0.000 peak  8449 weight  0.10000E+01 volume  0.79500E+00 ppm1      4.468 ppm2      0.719
 ASSI (
   (( segid "    " and resid 61   and name HB  ))
 )(
   (( segid "    " and resid 61   and name HA  ))
 )
      3.300     3.300     0.000 peak  8452 weight  0.10000E+01 volume  0.24870E+01 ppm1      1.718 ppm2      4.485
 ASSI (
   (( segid "    " and resid 61   and name HB  ))
 )(
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )
      2.700     2.700     0.000 peak  8456 weight  0.10000E+01 volume  0.37490E+01 ppm1      1.719 ppm2      0.726
 ASSI (
   (( segid "    " and resid 61   and name HB  ))
 )(
   (( segid "    " and resid 61   and name HN  ))
 )
      5.000     5.000     0.000 peak  8450 weight  0.10000E+01 volume  0.30600E+00 ppm1      1.716 ppm2      9.235
 ASSI (
   (( segid "    " and resid 61   and name HB  ))
 )(
   (( segid "    " and resid 62   and name HA  ))
 )
      6.000     6.000     0.000 peak  8453 weight  0.10000E+01 volume  0.23000E+00 ppm1      1.720 ppm2      3.926
 ASSI (
   (( segid "    " and resid 61   and name HD13))
  OR 
   (( segid "    " and resid 61   and name HD12))
  OR 
   (( segid "    " and resid 61   and name HD11))
 )(
   (( segid "    " and resid 40   and name HN  ))
 )
      5.000     5.000     0.000 peak  6433 weight  0.10000E+01 volume  0.70600E+00 ppm1      0.699 ppm2      8.429
 ASSI (
   (( segid "    " and resid 61   and name HG11))
 )(
   (( segid "    " and resid 61   and name HA  ))
 )
      5.000     5.000     0.000 peak  8460 weight  0.10000E+01 volume  0.46000E+00 ppm1      1.229 ppm2      4.488
 ASSI (
   (( segid "    " and resid 61   and name HG11))
 )(
   (( segid "    " and resid 61   and name HB  ))
 )
      3.300     3.300     0.000 peak  8455 weight  0.10000E+01 volume  0.15160E+01 ppm1      1.229 ppm2      1.726
 ASSI (
   (( segid "    " and resid 61   and name HG11))
 )(
   (( segid "    " and resid 61   and name HN  ))
 )
      5.000     5.000     0.000 peak  8459 weight  0.10000E+01 volume  0.48500E+00 ppm1      1.229 ppm2      9.230
 ASSI (
   (( segid "    " and resid 61   and name HG12))
 )(
   (( segid "    " and resid 61   and name HA  ))
 )
      5.000     5.000     0.000 peak  8464 weight  0.10000E+01 volume  0.54200E+00 ppm1      0.900 ppm2      4.490
 ASSI (
   (( segid "    " and resid 61   and name HG12))
 )(
   (( segid "    " and resid 61   and name HB  ))
 )
      3.300     3.300     0.000 peak  8466 weight  0.10000E+01 volume  0.16930E+01 ppm1      0.900 ppm2      1.722
 ASSI (
   (( segid "    " and resid 61   and name HG12))
 )(
   (( segid "    " and resid 61   and name HG11))
 )
      2.700     2.700     0.000 peak  8467 weight  0.10000E+01 volume  0.63350E+01 ppm1      0.900 ppm2      1.243
 ASSI (
   (( segid "    " and resid 61   and name HG12))
 )(
   (( segid "    " and resid 61   and name HN  ))
 )
      5.000     5.000     0.000 peak  8463 weight  0.10000E+01 volume  0.53300E+00 ppm1      0.899 ppm2      9.229
 ASSI (
   (( segid "    " and resid 61   and name HG12))
 )(
   (( segid "    " and resid 62   and name HA  ))
 )
      5.000     5.000     0.000 peak  8465 weight  0.10000E+01 volume  0.30100E+00 ppm1      0.900 ppm2      3.920
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )(
   (( segid "    " and resid 40   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5310 weight  0.10000E+01 volume  0.62200E+00 ppm1      0.714 ppm2      3.475
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )(
   (( segid "    " and resid 60   and name HA  ))
 )
      6.000     6.000     0.000 peak  8472 weight  0.10000E+01 volume  0.19000E+00 ppm1      0.715 ppm2      5.545
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )(
   (( segid "    " and resid 61   and name HG11))
 )
      5.000     5.000     0.000 peak  8474 weight  0.10000E+01 volume  0.12220E+01 ppm1      0.717 ppm2      1.238
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )(
   (( segid "    " and resid 61   and name HN  ))
 )
      5.000     5.000     0.000 peak  8468 weight  0.10000E+01 volume  0.47400E+00 ppm1      0.715 ppm2      9.231
 ASSI (
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )(
   (( segid "    " and resid 63   and name HE1 ))
 )
      5.000     5.000     0.000 peak  5629 weight  0.10000E+01 volume  0.71100E+00 ppm1      0.714 ppm2      2.703
 ASSI (
   (( segid "    " and resid 62   and name HA  ))
 )(
   (( segid "    " and resid 61   and name HN  ))
 )
      6.000     6.000     0.000 peak  8475 weight  0.10000E+01 volume  0.17300E+00 ppm1      3.918 ppm2      9.232
 ASSI (
   (( segid "    " and resid 62   and name HA  ))
 )(
   (( segid "    " and resid 62   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8478 weight  0.10000E+01 volume  0.46900E+00 ppm1      3.918 ppm2      2.774
 ASSI (
   (( segid "    " and resid 62   and name HA  ))
 )(
   (( segid "    " and resid 62   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8479 weight  0.10000E+01 volume  0.49000E+00 ppm1      3.918 ppm2      2.542
 ASSI (
   (( segid "    " and resid 62   and name HA  ))
 )(
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 62   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8477 weight  0.10000E+01 volume  0.50500E+00 ppm1      3.923 ppm2      6.558
 ASSI (
   (( segid "    " and resid 62   and name HA  ))
 )(
   (( segid "    " and resid 63   and name HN  ))
 )
      3.300     3.300     0.000 peak  6033 weight  0.10000E+01 volume  0.15060E+01 ppm1      3.916 ppm2      7.810
 ASSI (
   (( segid "    " and resid 62   and name HB1 ))
 )(
   (( segid "    " and resid 62   and name HB2 ))
 )
      3.300     3.300     0.000 peak  8485 weight  0.10000E+01 volume  0.27130E+01 ppm1      2.765 ppm2      2.536
 ASSI (
   (( segid "    " and resid 62   and name HB1 ))
 )(
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 62   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7420 weight  0.10000E+01 volume  0.79500E+00 ppm1      2.765 ppm2      6.552
 ASSI (
   (( segid "    " and resid 62   and name HB1 ))
 )(
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )
      5.000     5.000     0.000 peak  8481 weight  0.10000E+01 volume  0.62400E+00 ppm1      2.768 ppm2      6.698
 ASSI (
   (( segid "    " and resid 62   and name HB2 ))
 )(
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 62   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7418 weight  0.10000E+01 volume  0.69500E+00 ppm1      2.537 ppm2      6.551
 ASSI (
   (( segid "    " and resid 62   and name HB2 ))
 )(
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7419 weight  0.10000E+01 volume  0.64500E+00 ppm1      2.537 ppm2      6.695
 ASSI (
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 62   and name HD1 ))
 )(
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )
      2.700     2.700     0.000 peak  7428 weight  0.10000E+01 volume  0.86060E+01 ppm1      6.547 ppm2      6.693
 ASSI (
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 62   and name HD1 ))
 )(
   (( segid "    " and resid 62   and name HH  ))
 )
      5.000     5.000     0.000 peak  8486 weight  0.10000E+01 volume  0.30800E+00 ppm1      6.547 ppm2      8.383
 ASSI (
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 62   and name HD1 ))
 )(
   (( segid "    " and resid 63   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8490 weight  0.10000E+01 volume  0.17200E+00 ppm1      6.548 ppm2      1.435
 ASSI (
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 62   and name HD1 ))
 )(
   (( segid "    " and resid 83   and name HB2 ))
  OR 
   (( segid "    " and resid 83   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8488 weight  0.10000E+01 volume  0.17200E+00 ppm1      6.548 ppm2      3.746
 ASSI (
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )(
   (( segid "    " and resid 34   and name HN  ))
 )
      5.000     5.000     0.000 peak  8493 weight  0.10000E+01 volume  0.43800E+00 ppm1      6.689 ppm2      7.370
 ASSI (
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )(
   (( segid "    " and resid 62   and name HH  ))
 )
      5.000     5.000     0.000 peak  8491 weight  0.10000E+01 volume  0.51400E+00 ppm1      6.689 ppm2      8.385
 ASSI (
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )(
   (( segid "    " and resid 64   and name HD2 ))
  OR 
   (( segid "    " and resid 64   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8552 weight  0.10000E+01 volume  0.45900E+00 ppm1      6.687 ppm2      3.097
 ASSI (
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )(
   (( segid "    " and resid 83   and name HB2 ))
  OR 
   (( segid "    " and resid 83   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6941 weight  0.10000E+01 volume  0.73900E+00 ppm1      6.687 ppm2      3.737
 ASSI (
   (( segid "    " and resid 63   and name HA  ))
 )(
   (( segid "    " and resid 63   and name HB1 ))
 )
      3.300     3.300     0.000 peak  8500 weight  0.10000E+01 volume  0.17410E+01 ppm1      4.144 ppm2      1.439
 ASSI (
   (( segid "    " and resid 63   and name HA  ))
 )(
   (( segid "    " and resid 63   and name HG1 ))
 )
      5.000     5.000     0.000 peak  8502 weight  0.10000E+01 volume  0.76100E+00 ppm1      4.144 ppm2      1.158
 ASSI (
   (( segid "    " and resid 63   and name HA  ))
 )(
   (( segid "    " and resid 63   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8503 weight  0.10000E+01 volume  0.80000E+00 ppm1      4.144 ppm2      1.018
 ASSI (
   (( segid "    " and resid 63   and name HA  ))
 )(
   (( segid "    " and resid 64   and name HN  ))
 )
      2.700     2.700     0.000 peak  6042 weight  0.10000E+01 volume  0.36910E+01 ppm1      4.143 ppm2      7.727
 ASSI (
   (( segid "    " and resid 63   and name HB1 ))
 )(
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  8179 weight  0.10000E+01 volume  0.58600E+00 ppm1      1.420 ppm2      0.526
 ASSI (
   (( segid "    " and resid 63   and name HB1 ))
 )(
   (( segid "    " and resid 63   and name HB2 ))
 )
      3.300     3.300     0.000 peak  8511 weight  0.10000E+01 volume  0.16670E+01 ppm1      1.423 ppm2      1.246
 ASSI (
   (( segid "    " and resid 63   and name HB1 ))
 )(
   (( segid "    " and resid 63   and name HG2 ))
 )
      5.000     5.000     0.000 peak  5377 weight  0.10000E+01 volume  0.61900E+00 ppm1      1.423 ppm2      1.015
 ASSI (
   (( segid "    " and resid 63   and name HB1 ))
 )(
   (( segid "    " and resid 64   and name HN  ))
 )
      5.000     5.000     0.000 peak  8506 weight  0.10000E+01 volume  0.34800E+00 ppm1      1.423 ppm2      7.729
 ASSI (
   (( segid "    " and resid 63   and name HB2 ))
 )(
   (( segid "    " and resid 63   and name HA  ))
 )
      5.000     5.000     0.000 peak  8509 weight  0.10000E+01 volume  0.52900E+00 ppm1      1.245 ppm2      4.159
 ASSI (
   (( segid "    " and resid 63   and name HB2 ))
 )(
   (( segid "    " and resid 63   and name HG2 ))
 )
      5.000     5.000     0.000 peak  5378 weight  0.10000E+01 volume  0.73600E+00 ppm1      1.246 ppm2      1.016
 ASSI (
   (( segid "    " and resid 63   and name HB2 ))
 )(
   (( segid "    " and resid 63   and name HN  ))
 )
      6.000     6.000     0.000 peak  8504 weight  0.10000E+01 volume  0.29700E+00 ppm1      1.246 ppm2      7.816
 ASSI (
   (( segid "    " and resid 63   and name HB2 ))
 )(
   (( segid "    " and resid 64   and name HN  ))
 )
      6.000     6.000     0.000 peak  8507 weight  0.10000E+01 volume  0.29500E+00 ppm1      1.245 ppm2      7.729
 ASSI (
   (( segid "    " and resid 63   and name HD1 ))
 )(
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  8534 weight  0.10000E+01 volume  0.96500E+00 ppm1      1.465 ppm2      0.545
 ASSI (
   (( segid "    " and resid 63   and name HD1 ))
 )(
   (( segid "    " and resid 63   and name HA  ))
 )
      5.000     5.000     0.000 peak  8522 weight  0.10000E+01 volume  0.42900E+00 ppm1      1.463 ppm2      4.160
 ASSI (
   (( segid "    " and resid 63   and name HD1 ))
 )(
   (( segid "    " and resid 63   and name HD2 ))
 )
      2.700     2.700     0.000 peak  8526 weight  0.10000E+01 volume  0.56530E+01 ppm1      1.464 ppm2      1.298
 ASSI (
   (( segid "    " and resid 63   and name HD1 ))
 )(
   (( segid "    " and resid 63   and name HG1 ))
 )
      5.000     5.000     0.000 peak  8528 weight  0.10000E+01 volume  0.14460E+01 ppm1      1.463 ppm2      1.155
 ASSI (
   (( segid "    " and resid 63   and name HD1 ))
 )(
   (( segid "    " and resid 63   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8530 weight  0.10000E+01 volume  0.67900E+00 ppm1      1.464 ppm2      1.019
 ASSI (
   (( segid "    " and resid 63   and name HD1 ))
 )(
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )
      5.000     5.000     0.000 peak  5638 weight  0.10000E+01 volume  0.12340E+01 ppm1      1.464 ppm2      0.498
 ASSI (
   (( segid "    " and resid 63   and name HD2 ))
 )(
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  8536 weight  0.10000E+01 volume  0.10440E+01 ppm1      1.286 ppm2      0.544
 ASSI (
   (( segid "    " and resid 63   and name HD2 ))
 )(
   (( segid "    " and resid 63   and name HA  ))
 )
      6.000     6.000     0.000 peak  8523 weight  0.10000E+01 volume  0.26500E+00 ppm1      1.286 ppm2      4.159
 ASSI (
   (( segid "    " and resid 63   and name HD2 ))
 )(
   (( segid "    " and resid 63   and name HE1 ))
 )
      3.300     3.300     0.000 peak  8525 weight  0.10000E+01 volume  0.16180E+01 ppm1      1.286 ppm2      2.706
 ASSI (
   (( segid "    " and resid 63   and name HD2 ))
 )(
   (( segid "    " and resid 63   and name HG1 ))
 )
      3.300     3.300     0.000 peak  8529 weight  0.10000E+01 volume  0.16290E+01 ppm1      1.286 ppm2      1.155
 ASSI (
   (( segid "    " and resid 63   and name HD2 ))
 )(
   (( segid "    " and resid 63   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8531 weight  0.10000E+01 volume  0.82800E+00 ppm1      1.286 ppm2      1.018
 ASSI (
   (( segid "    " and resid 63   and name HD2 ))
 )(
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )
      5.000     5.000     0.000 peak  5640 weight  0.10000E+01 volume  0.95400E+00 ppm1      1.286 ppm2      0.508
 ASSI (
   (( segid "    " and resid 63   and name HD2 ))
 )(
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )
      5.000     5.000     0.000 peak  8537 weight  0.10000E+01 volume  0.36400E+00 ppm1      1.286 ppm2      0.416
 ASSI (
   (( segid "    " and resid 63   and name HE1 ))
 )(
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  5590 weight  0.10000E+01 volume  0.11110E+01 ppm1      2.718 ppm2      0.542
 ASSI (
   (( segid "    " and resid 63   and name HE1 ))
 )(
   (( segid "    " and resid 63   and name HG1 ))
 )
      3.300     3.300     0.000 peak  5586 weight  0.10000E+01 volume  0.16610E+01 ppm1      2.719 ppm2      1.153
 ASSI (
   (( segid "    " and resid 63   and name HE1 ))
 )(
   (( segid "    " and resid 63   and name HG2 ))
 )
      5.000     5.000     0.000 peak  5588 weight  0.10000E+01 volume  0.12490E+01 ppm1      2.719 ppm2      1.016
 ASSI (
   (( segid "    " and resid 63   and name HE2 ))
 )(
   (( segid "    " and resid 38   and name HB  ))
 )
      5.000     5.000     0.000 peak  5643 weight  0.10000E+01 volume  0.87100E+00 ppm1      2.662 ppm2      1.733
 ASSI (
   (( segid "    " and resid 63   and name HE2 ))
 )(
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  8540 weight  0.10000E+01 volume  0.13220E+01 ppm1      2.662 ppm2      0.543
 ASSI (
   (( segid "    " and resid 63   and name HE2 ))
 )(
   (( segid "    " and resid 61   and name HG23))
  OR 
   (( segid "    " and resid 61   and name HG22))
  OR 
   (( segid "    " and resid 61   and name HG21))
 )
      5.000     5.000     0.000 peak  8539 weight  0.10000E+01 volume  0.11520E+01 ppm1      2.662 ppm2      0.710
 ASSI (
   (( segid "    " and resid 63   and name HE2 ))
 )(
   (( segid "    " and resid 63   and name HD2 ))
 )
      3.300     3.300     0.000 peak  5585 weight  0.10000E+01 volume  0.21470E+01 ppm1      2.660 ppm2      1.284
 ASSI (
   (( segid "    " and resid 63   and name HE2 ))
 )(
   (( segid "    " and resid 63   and name HG1 ))
 )
      5.000     5.000     0.000 peak  5587 weight  0.10000E+01 volume  0.14950E+01 ppm1      2.662 ppm2      1.154
 ASSI (
   (( segid "    " and resid 63   and name HE2 ))
 )(
   (( segid "    " and resid 63   and name HG2 ))
 )
      5.000     5.000     0.000 peak  5589 weight  0.10000E+01 volume  0.11050E+01 ppm1      2.663 ppm2      1.018
 ASSI (
   (( segid "    " and resid 63   and name HG1 ))
 )(
   (( segid "    " and resid 63   and name HN  ))
 )
      5.000     5.000     0.000 peak  8512 weight  0.10000E+01 volume  0.40100E+00 ppm1      1.149 ppm2      7.818
 ASSI (
   (( segid "    " and resid 63   and name HG1 ))
 )(
   (( segid "    " and resid 64   and name HN  ))
 )
      5.000     5.000     0.000 peak  8515 weight  0.10000E+01 volume  0.44200E+00 ppm1      1.148 ppm2      7.734
 ASSI (
   (( segid "    " and resid 63   and name HG2 ))
 )(
   (( segid "    " and resid 64   and name HN  ))
 )
      6.000     6.000     0.000 peak  8514 weight  0.10000E+01 volume  0.23000E+00 ppm1      1.010 ppm2      7.734
 ASSI (
   (( segid "    " and resid 64   and name HA  ))
 )(
   (( segid "    " and resid 63   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8543 weight  0.10000E+01 volume  0.42000E+00 ppm1      4.505 ppm2      1.435
 ASSI (
   (( segid "    " and resid 64   and name HA  ))
 )(
   (( segid "    " and resid 64   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8542 weight  0.10000E+01 volume  0.74500E+00 ppm1      4.505 ppm2      1.626
 ASSI (
   (( segid "    " and resid 64   and name HA  ))
 )(
   (( segid "    " and resid 65   and name HN  ))
 )
      5.000     5.000     0.000 peak  8541 weight  0.10000E+01 volume  0.14540E+01 ppm1      4.505 ppm2      8.537
 ASSI (
   (( segid "    " and resid 64   and name HB1 ))
 )(
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )
      6.000     6.000     0.000 peak  8546 weight  0.10000E+01 volume  0.21800E+00 ppm1      1.601 ppm2      6.694
 ASSI (
   (( segid "    " and resid 64   and name HB1 ))
 )(
   (( segid "    " and resid 64   and name HD2 ))
  OR 
   (( segid "    " and resid 64   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5383 weight  0.10000E+01 volume  0.12610E+01 ppm1      1.603 ppm2      3.110
 ASSI (
   (( segid "    " and resid 64   and name HB1 ))
 )(
   (( segid "    " and resid 64   and name HN  ))
 )
      5.000     5.000     0.000 peak  6634 weight  0.10000E+01 volume  0.51200E+00 ppm1      1.605 ppm2      7.732
 ASSI (
   (( segid "    " and resid 64   and name HB1 ))
 )(
   (( segid "    " and resid 65   and name HN  ))
 )
      5.000     5.000     0.000 peak  8544 weight  0.10000E+01 volume  0.60700E+00 ppm1      1.606 ppm2      8.554
 ASSI (
   (( segid "    " and resid 64   and name HB1 ))
 )(
   (( segid "    " and resid 83   and name HA  ))
 )
      5.000     5.000     0.000 peak  8548 weight  0.10000E+01 volume  0.47800E+00 ppm1      1.607 ppm2      4.255
 ASSI (
   (( segid "    " and resid 64   and name HB2 ))
 )(
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )
      6.000     6.000     0.000 peak  8547 weight  0.10000E+01 volume  0.16000E+00 ppm1      1.417 ppm2      6.694
 ASSI (
   (( segid "    " and resid 64   and name HB2 ))
 )(
   (( segid "    " and resid 64   and name HA  ))
 )
      5.000     5.000     0.000 peak  5382 weight  0.10000E+01 volume  0.49600E+00 ppm1      1.417 ppm2      4.521
 ASSI (
   (( segid "    " and resid 64   and name HB2 ))
 )(
   (( segid "    " and resid 64   and name HD2 ))
  OR 
   (( segid "    " and resid 64   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5381 weight  0.10000E+01 volume  0.10330E+01 ppm1      1.417 ppm2      3.111
 ASSI (
   (( segid "    " and resid 64   and name HB2 ))
 )(
   (( segid "    " and resid 65   and name HN  ))
 )
      6.000     6.000     0.000 peak  8545 weight  0.10000E+01 volume  0.18300E+00 ppm1      1.419 ppm2      8.554
 ASSI (
   (( segid "    " and resid 64   and name HD2 ))
  OR 
   (( segid "    " and resid 64   and name HD1 ))
 )(
   (( segid "    " and resid 64   and name HA  ))
 )
      5.000     5.000     0.000 peak  5651 weight  0.10000E+01 volume  0.42800E+00 ppm1      3.098 ppm2      4.533
 ASSI (
   (( segid "    " and resid 64   and name HD2 ))
  OR 
   (( segid "    " and resid 64   and name HD1 ))
 )(
   (( segid "    " and resid 64   and name HE  ))
 )
      5.000     5.000     0.000 peak  8551 weight  0.10000E+01 volume  0.52700E+00 ppm1      3.096 ppm2      7.070
 ASSI (
   (( segid "    " and resid 64   and name HD2 ))
  OR 
   (( segid "    " and resid 64   and name HD1 ))
 )(
   (( segid "    " and resid 64   and name HN  ))
 )
      6.000     6.000     0.000 peak  8550 weight  0.10000E+01 volume  0.25200E+00 ppm1      3.097 ppm2      7.726
 ASSI (
   (( segid "    " and resid 65   and name HA  ))
 )(
   (( segid "    " and resid 65   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8558 weight  0.10000E+01 volume  0.78500E+00 ppm1      4.101 ppm2      2.383
 ASSI (
   (( segid "    " and resid 65   and name HA  ))
 )(
   (( segid "    " and resid 65   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8559 weight  0.10000E+01 volume  0.54600E+00 ppm1      4.101 ppm2      2.307
 ASSI (
   (( segid "    " and resid 65   and name HA  ))
 )(
   (( segid "    " and resid 65   and name HN  ))
 )
      5.000     5.000     0.000 peak  8557 weight  0.10000E+01 volume  0.65100E+00 ppm1      4.100 ppm2      8.540
 ASSI (
   (( segid "    " and resid 65   and name HA  ))
 )(
   (( segid "    " and resid 66   and name HN  ))
 )
      2.700     2.700     0.000 peak  6652 weight  0.10000E+01 volume  0.30770E+01 ppm1      4.100 ppm2      8.355
 ASSI (
   (( segid "    " and resid 65   and name HA  ))
 )(
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )
      5.000     5.000     0.000 peak  5003 weight  0.10000E+01 volume  0.13360E+01 ppm1      4.101 ppm2      0.435
 ASSI (
   (( segid "    " and resid 65   and name HB1 ))
 )(
   (( segid "    " and resid 66   and name HN  ))
 )
      5.000     5.000     0.000 peak  6648 weight  0.10000E+01 volume  0.90800E+00 ppm1      2.382 ppm2      8.354
 ASSI (
   (( segid "    " and resid 65   and name HB1 ))
 )(
   (( segid "    " and resid 115  and name HZ2 ))
 )
      5.000     5.000     0.000 peak  8561 weight  0.10000E+01 volume  0.52600E+00 ppm1      2.373 ppm2      7.165
 ASSI (
   (( segid "    " and resid 65   and name HB2 ))
 )(
   (( segid "    " and resid 65   and name HN  ))
 )
      5.000     5.000     0.000 peak  6639 weight  0.10000E+01 volume  0.10600E+01 ppm1      2.306 ppm2      8.550
 ASSI (
   (( segid "    " and resid 65   and name HB2 ))
 )(
   (( segid "    " and resid 115  and name HE1 ))
 )
      5.000     5.000     0.000 peak  6716 weight  0.10000E+01 volume  0.70100E+00 ppm1      2.313 ppm2     10.500
 ASSI (
   (( segid "    " and resid 65   and name HB2 ))
 )(
   (( segid "    " and resid 115  and name HZ2 ))
 )
      5.000     5.000     0.000 peak  8563 weight  0.10000E+01 volume  0.52100E+00 ppm1      2.310 ppm2      7.163
 ASSI (
   (( segid "    " and resid 66   and name HA  ))
 )(
   (( segid "    " and resid 66   and name HB1 ))
 )
      3.300     3.300     0.000 peak  5005 weight  0.10000E+01 volume  0.23250E+01 ppm1      4.255 ppm2      1.904
 ASSI (
   (( segid "    " and resid 66   and name HA  ))
 )(
   (( segid "    " and resid 66   and name HB2 ))
 )
      2.700     2.700     0.000 peak  8570 weight  0.10000E+01 volume  0.30860E+01 ppm1      4.255 ppm2      1.764
 ASSI (
   (( segid "    " and resid 66   and name HA  ))
 )(
   (( segid "    " and resid 66   and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8568 weight  0.10000E+01 volume  0.39400E+00 ppm1      4.255 ppm2      3.235
 ASSI (
   (( segid "    " and resid 66   and name HA  ))
 )(
   (( segid "    " and resid 66   and name HN  ))
 )
      5.000     5.000     0.000 peak  8567 weight  0.10000E+01 volume  0.99900E+00 ppm1      4.254 ppm2      8.354
 ASSI (
   (( segid "    " and resid 66   and name HA  ))
 )(
   (( segid "    " and resid 67   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8569 weight  0.10000E+01 volume  0.11200E+00 ppm1      4.254 ppm2      3.129
 ASSI (
   (( segid "    " and resid 66   and name HA  ))
 )(
   (( segid "    " and resid 67   and name HB2 ))
 )
      6.000     6.000     0.000 peak  5004 weight  0.10000E+01 volume  0.28400E+00 ppm1      4.254 ppm2      2.986
 ASSI (
   (( segid "    " and resid 66   and name HA  ))
 )(
   (( segid "    " and resid 67   and name HN  ))
 )
      2.700     2.700     0.000 peak  6056 weight  0.10000E+01 volume  0.34130E+01 ppm1      4.254 ppm2      8.940
 ASSI (
   (( segid "    " and resid 66   and name HA  ))
 )(
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )
      5.000     5.000     0.000 peak  5020 weight  0.10000E+01 volume  0.54400E+00 ppm1      4.253 ppm2      0.967
 ASSI (
   (( segid "    " and resid 66   and name HB1 ))
 )(
   (( segid "    " and resid 65   and name HA  ))
 )
      5.000     5.000     0.000 peak  8577 weight  0.10000E+01 volume  0.54900E+00 ppm1      1.884 ppm2      4.112
 ASSI (
   (( segid "    " and resid 66   and name HB1 ))
 )(
   (( segid "    " and resid 66   and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8578 weight  0.10000E+01 volume  0.10780E+01 ppm1      1.884 ppm2      3.237
 ASSI (
   (( segid "    " and resid 66   and name HB1 ))
 )(
   (( segid "    " and resid 66   and name HN  ))
 )
      3.300     3.300     0.000 peak  8574 weight  0.10000E+01 volume  0.24980E+01 ppm1      1.882 ppm2      8.355
 ASSI (
   (( segid "    " and resid 66   and name HB1 ))
 )(
   (( segid "    " and resid 67   and name HN  ))
 )
      5.000     5.000     0.000 peak  6051 weight  0.10000E+01 volume  0.80200E+00 ppm1      1.882 ppm2      8.936
 ASSI (
   (( segid "    " and resid 66   and name HB2 ))
 )(
   (( segid "    " and resid 67   and name HN  ))
 )
      5.000     5.000     0.000 peak  6050 weight  0.10000E+01 volume  0.62100E+00 ppm1      1.775 ppm2      8.937
 ASSI (
   (( segid "    " and resid 66   and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HD1 ))
 )(
   (( segid "    " and resid 66   and name HB2 ))
 )
      2.700     2.700     0.000 peak  8584 weight  0.10000E+01 volume  0.49690E+01 ppm1      3.235 ppm2      1.761
 ASSI (
   (( segid "    " and resid 66   and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HD1 ))
 )(
   (( segid "    " and resid 66   and name HN  ))
 )
      6.000     6.000     0.000 peak  8581 weight  0.10000E+01 volume  0.15800E+00 ppm1      3.234 ppm2      8.340
 ASSI (
   (( segid "    " and resid 66   and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HD1 ))
 )(
   (( segid "    " and resid 67   and name HA  ))
 )
      5.000     5.000     0.000 peak  8583 weight  0.10000E+01 volume  0.39300E+00 ppm1      3.236 ppm2      4.276
 ASSI (
   (( segid "    " and resid 66   and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HD1 ))
 )(
   (( segid "    " and resid 67   and name HD2 ))
 )
      6.000     6.000     0.000 peak  8582 weight  0.10000E+01 volume  0.16900E+00 ppm1      3.235 ppm2      7.175
 ASSI (
   (( segid "    " and resid 66   and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HD1 ))
 )(
   (( segid "    " and resid 67   and name HN  ))
 )
      6.000     6.000     0.000 peak  8580 weight  0.10000E+01 volume  0.11700E+00 ppm1      3.235 ppm2      8.941
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 67   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8594 weight  0.10000E+01 volume  0.12770E+01 ppm1      4.262 ppm2      3.130
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 67   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8595 weight  0.10000E+01 volume  0.78700E+00 ppm1      4.264 ppm2      2.985
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 67   and name HD2 ))
 )
      5.000     5.000     0.000 peak  8592 weight  0.10000E+01 volume  0.37700E+00 ppm1      4.262 ppm2      7.184
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 67   and name HN  ))
 )
      5.000     5.000     0.000 peak  8591 weight  0.10000E+01 volume  0.71100E+00 ppm1      4.262 ppm2      8.940
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 68   and name HD1 ))
 )
      3.300     3.300     0.000 peak  5031 weight  0.10000E+01 volume  0.17290E+01 ppm1      4.262 ppm2      3.200
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 68   and name HD2 ))
 )
      3.300     3.300     0.000 peak  5032 weight  0.10000E+01 volume  0.18010E+01 ppm1      4.264 ppm2      2.477
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 69   and name HN  ))
 )
      6.000     6.000     0.000 peak  8590 weight  0.10000E+01 volume  0.18500E+00 ppm1      4.259 ppm2      9.609
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )
      3.300     3.300     0.000 peak  5033 weight  0.10000E+01 volume  0.16300E+01 ppm1      4.263 ppm2      0.985
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )
      5.000     5.000     0.000 peak  8596 weight  0.10000E+01 volume  0.75600E+00 ppm1      4.264 ppm2      0.876
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 115  and name HE1 ))
 )
      6.000     6.000     0.000 peak  8588 weight  0.10000E+01 volume  0.21600E+00 ppm1      4.258 ppm2     10.497
 ASSI (
   (( segid "    " and resid 67   and name HA  ))
 )(
   (( segid "    " and resid 115  and name HZ2 ))
 )
      5.000     5.000     0.000 peak  9501 weight  0.10000E+01 volume  0.39200E+00 ppm1      4.261 ppm2      7.163
 ASSI (
   (( segid "    " and resid 67   and name HB1 ))
 )(
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )
      5.000     5.000     0.000 peak  5319 weight  0.10000E+01 volume  0.53700E+00 ppm1      3.117 ppm2      0.979
 ASSI (
   (( segid "    " and resid 67   and name HB2 ))
 )(
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )
      5.000     5.000     0.000 peak  5021 weight  0.10000E+01 volume  0.46200E+00 ppm1      2.974 ppm2      0.974
 ASSI (
   (( segid "    " and resid 67   and name HD2 ))
 )(
   (( segid "    " and resid 67   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8949 weight  0.10000E+01 volume  0.30500E+00 ppm1      7.172 ppm2      3.127
 ASSI (
   (( segid "    " and resid 67   and name HD2 ))
 )(
   (( segid "    " and resid 67   and name HB2 ))
 )
      6.000     6.000     0.000 peak  8950 weight  0.10000E+01 volume  0.85000E-01 ppm1      7.171 ppm2      2.985
 ASSI (
   (( segid "    " and resid 67   and name HD2 ))
 )(
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )
      5.000     5.000     0.000 peak  8946 weight  0.10000E+01 volume  0.41000E+00 ppm1      7.171 ppm2      0.968
 ASSI (
   (( segid "    " and resid 68   and name HA  ))
 )(
   (( segid "    " and resid 68   and name HB1 ))
 )
      3.300     3.300     0.000 peak  8607 weight  0.10000E+01 volume  0.20430E+01 ppm1      4.309 ppm2      1.673
 ASSI (
   (( segid "    " and resid 68   and name HA  ))
 )(
   (( segid "    " and resid 68   and name HB2 ))
 )
      2.700     2.700     0.000 peak  8609 weight  0.10000E+01 volume  0.39270E+01 ppm1      4.309 ppm2      1.317
 ASSI (
   (( segid "    " and resid 68   and name HA  ))
 )(
   (( segid "    " and resid 68   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5034 weight  0.10000E+01 volume  0.32700E+00 ppm1      4.308 ppm2      3.219
 ASSI (
   (( segid "    " and resid 68   and name HA  ))
 )(
   (( segid "    " and resid 68   and name HG1 ))
 )
      5.000     5.000     0.000 peak  8608 weight  0.10000E+01 volume  0.90800E+00 ppm1      4.310 ppm2      1.509
 ASSI (
   (( segid "    " and resid 68   and name HA  ))
 )(
   (( segid "    " and resid 69   and name HN  ))
 )
      5.000     5.000     0.000 peak  8604 weight  0.10000E+01 volume  0.13140E+01 ppm1      4.308 ppm2      9.626
 ASSI (
   (( segid "    " and resid 68   and name HA  ))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      6.000     6.000     0.000 peak  8611 weight  0.10000E+01 volume  0.14700E+00 ppm1      4.309 ppm2     -0.625
 ASSI (
   (( segid "    " and resid 68   and name HA  ))
 )(
   (( segid "    " and resid 115  and name HD1 ))
 )
      5.000     5.000     0.000 peak  8605 weight  0.10000E+01 volume  0.31600E+00 ppm1      4.308 ppm2      7.277
 ASSI (
   (( segid "    " and resid 68   and name HA  ))
 )(
   (( segid "    " and resid 115  and name HE1 ))
 )
      5.000     5.000     0.000 peak  6684 weight  0.10000E+01 volume  0.56200E+00 ppm1      4.311 ppm2     10.509
 ASSI (
   (( segid "    " and resid 68   and name HB1 ))
 )(
   (( segid "    " and resid 68   and name HB2 ))
 )
      2.700     2.700     0.000 peak  8623 weight  0.10000E+01 volume  0.30060E+01 ppm1      1.654 ppm2      1.317
 ASSI (
   (( segid "    " and resid 68   and name HB1 ))
 )(
   (( segid "    " and resid 68   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8619 weight  0.10000E+01 volume  0.91000E+00 ppm1      1.658 ppm2      3.220
 ASSI (
   (( segid "    " and resid 68   and name HB1 ))
 )(
   (( segid "    " and resid 68   and name HD2 ))
 )
      5.000     5.000     0.000 peak  8620 weight  0.10000E+01 volume  0.35800E+00 ppm1      1.657 ppm2      2.469
 ASSI (
   (( segid "    " and resid 68   and name HB2 ))
 )(
   (( segid "    " and resid 68   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8618 weight  0.10000E+01 volume  0.65100E+00 ppm1      1.316 ppm2      3.223
 ASSI (
   (( segid "    " and resid 68   and name HB2 ))
 )(
   (( segid "    " and resid 68   and name HD2 ))
 )
      6.000     6.000     0.000 peak  8621 weight  0.10000E+01 volume  0.23100E+00 ppm1      1.315 ppm2      2.470
 ASSI (
   (( segid "    " and resid 68   and name HB2 ))
 )(
   (( segid "    " and resid 115  and name HE1 ))
 )
      6.000     6.000     0.000 peak  8614 weight  0.10000E+01 volume  0.21000E+00 ppm1      1.316 ppm2     10.499
 ASSI (
   (( segid "    " and resid 68   and name HD1 ))
 )(
   (( segid "    " and resid 67   and name HD2 ))
 )
      6.000     6.000     0.000 peak  8632 weight  0.10000E+01 volume  0.24200E+00 ppm1      3.204 ppm2      7.166
 ASSI (
   (( segid "    " and resid 68   and name HD1 ))
 )(
   (( segid "    " and resid 68   and name HD2 ))
 )
      3.300     3.300     0.000 peak  7909 weight  0.10000E+01 volume  0.19910E+01 ppm1      3.206 ppm2      2.472
 ASSI (
   (( segid "    " and resid 68   and name HD1 ))
 )(
   (( segid "    " and resid 68   and name HG2 ))
 )
      5.000     5.000     0.000 peak  7713 weight  0.10000E+01 volume  0.87000E+00 ppm1      3.204 ppm2      1.030
 ASSI (
   (( segid "    " and resid 68   and name HD1 ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      6.000     6.000     0.000 peak  8643 weight  0.10000E+01 volume  0.28600E+00 ppm1      3.204 ppm2      0.498
 ASSI (
   (( segid "    " and resid 68   and name HD1 ))
 )(
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )
      5.000     5.000     0.000 peak  8641 weight  0.10000E+01 volume  0.42700E+00 ppm1      3.204 ppm2      0.888
 ASSI (
   (( segid "    " and resid 68   and name HD2 ))
 )(
   (( segid "    " and resid 67   and name HD2 ))
 )
      6.000     6.000     0.000 peak  5602 weight  0.10000E+01 volume  0.15600E+00 ppm1      2.461 ppm2      7.167
 ASSI (
   (( segid "    " and resid 68   and name HD2 ))
 )(
   (( segid "    " and resid 68   and name HG2 ))
 )
      5.000     5.000     0.000 peak  7712 weight  0.10000E+01 volume  0.86600E+00 ppm1      2.457 ppm2      1.029
 ASSI (
   (( segid "    " and resid 68   and name HD2 ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      5.000     5.000     0.000 peak  8645 weight  0.10000E+01 volume  0.30900E+00 ppm1      2.458 ppm2      0.497
 ASSI (
   (( segid "    " and resid 68   and name HD2 ))
 )(
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )
      5.000     5.000     0.000 peak  8642 weight  0.10000E+01 volume  0.33500E+00 ppm1      2.459 ppm2      0.891
 ASSI (
   (( segid "    " and resid 68   and name HG1 ))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      5.000     5.000     0.000 peak  5653 weight  0.10000E+01 volume  0.54500E+00 ppm1      1.499 ppm2     -0.610
 ASSI (
   (( segid "    " and resid 68   and name HG2 ))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      5.000     5.000     0.000 peak  8631 weight  0.10000E+01 volume  0.34800E+00 ppm1      1.033 ppm2     -0.609
 ASSI (
   (( segid "    " and resid 69   and name HA1 ))
 )(
   (( segid "    " and resid 69   and name HA2 ))
 )
      2.700     2.700     0.000 peak  8648 weight  0.10000E+01 volume  0.64220E+01 ppm1      4.228 ppm2      3.735
 ASSI (
   (( segid "    " and resid 70   and name HA  ))
 )(
   (( segid "    " and resid 70   and name HB1 ))
 )
      3.300     3.300     0.000 peak  8653 weight  0.10000E+01 volume  0.24920E+01 ppm1      4.119 ppm2      1.802
 ASSI (
   (( segid "    " and resid 70   and name HA  ))
 )(
   (( segid "    " and resid 70   and name HG1 ))
 )
      5.000     5.000     0.000 peak  8651 weight  0.10000E+01 volume  0.37800E+00 ppm1      4.119 ppm2      2.176
 ASSI (
   (( segid "    " and resid 70   and name HA  ))
 )(
   (( segid "    " and resid 70   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8652 weight  0.10000E+01 volume  0.40800E+00 ppm1      4.119 ppm2      2.046
 ASSI (
   (( segid "    " and resid 70   and name HA  ))
 )(
   (( segid "    " and resid 70   and name HN  ))
 )
      2.700     2.700     0.000 peak  8650 weight  0.10000E+01 volume  0.34000E+01 ppm1      4.119 ppm2      7.726
 ASSI (
   (( segid "    " and resid 70   and name HA  ))
 )(
   (( segid "    " and resid 71   and name HN  ))
 )
      2.700     2.700     0.000 peak  6086 weight  0.10000E+01 volume  0.37060E+01 ppm1      4.119 ppm2      8.281
 ASSI (
   (( segid "    " and resid 70   and name HG1 ))
 )(
   (( segid "    " and resid 70   and name HN  ))
 )
      5.000     5.000     0.000 peak  8663 weight  0.10000E+01 volume  0.57700E+00 ppm1      2.156 ppm2      7.732
 ASSI (
   (( segid "    " and resid 70   and name HG1 ))
 )(
   (( segid "    " and resid 71   and name HN  ))
 )
      5.000     5.000     0.000 peak  8661 weight  0.10000E+01 volume  0.58400E+00 ppm1      2.156 ppm2      8.287
 ASSI (
   (( segid "    " and resid 70   and name HG2 ))
 )(
   (( segid "    " and resid 71   and name HN  ))
 )
      5.000     5.000     0.000 peak  8662 weight  0.10000E+01 volume  0.46700E+00 ppm1      2.041 ppm2      8.287
 ASSI (
   (( segid "    " and resid 71   and name HA  ))
 )(
   (( segid "    " and resid 71   and name HB1 ))
 )
      3.300     3.300     0.000 peak  8667 weight  0.10000E+01 volume  0.16580E+01 ppm1      4.300 ppm2      1.534
 ASSI (
   (( segid "    " and resid 71   and name HA  ))
 )(
   (( segid "    " and resid 71   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8670 weight  0.10000E+01 volume  0.93100E+00 ppm1      4.303 ppm2      0.757
 ASSI (
   (( segid "    " and resid 71   and name HA  ))
 )(
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )
      5.000     5.000     0.000 peak  8671 weight  0.10000E+01 volume  0.11430E+01 ppm1      4.303 ppm2      0.590
 ASSI (
   (( segid "    " and resid 71   and name HA  ))
 )(
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )
      3.300     3.300     0.000 peak  8672 weight  0.10000E+01 volume  0.28000E+01 ppm1      4.303 ppm2      0.486
 ASSI (
   (( segid "    " and resid 71   and name HA  ))
 )(
   (( segid "    " and resid 71   and name HG  ))
 )
      5.000     5.000     0.000 peak  8669 weight  0.10000E+01 volume  0.11140E+01 ppm1      4.302 ppm2      1.012
 ASSI (
   (( segid "    " and resid 71   and name HA  ))
 )(
   (( segid "    " and resid 72   and name HA  ))
 )
      5.000     5.000     0.000 peak  5038 weight  0.10000E+01 volume  0.49700E+00 ppm1      4.300 ppm2      3.830
 ASSI (
   (( segid "    " and resid 71   and name HA  ))
 )(
   (( segid "    " and resid 72   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8668 weight  0.10000E+01 volume  0.12290E+01 ppm1      4.302 ppm2      1.621
 ASSI (
   (( segid "    " and resid 71   and name HA  ))
 )(
   (( segid "    " and resid 72   and name HN  ))
 )
      2.700     2.700     0.000 peak  6096 weight  0.10000E+01 volume  0.38350E+01 ppm1      4.300 ppm2      8.518
 ASSI (
   (( segid "    " and resid 71   and name HB1 ))
 )(
   (( segid "    " and resid 71   and name HB2 ))
 )
      3.300     3.300     0.000 peak  5395 weight  0.10000E+01 volume  0.24190E+01 ppm1      1.537 ppm2      0.760
 ASSI (
   (( segid "    " and resid 71   and name HB1 ))
 )(
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )
      5.000     5.000     0.000 peak  8679 weight  0.10000E+01 volume  0.14980E+01 ppm1      1.537 ppm2      0.498
 ASSI (
   (( segid "    " and resid 71   and name HB1 ))
 )(
   (( segid "    " and resid 71   and name HG  ))
 )
      3.300     3.300     0.000 peak  5393 weight  0.10000E+01 volume  0.20380E+01 ppm1      1.538 ppm2      1.000
 ASSI (
   (( segid "    " and resid 71   and name HB1 ))
 )(
   (( segid "    " and resid 72   and name HN  ))
 )
      6.000     6.000     0.000 peak  8673 weight  0.10000E+01 volume  0.25700E+00 ppm1      1.534 ppm2      8.524
 ASSI (
   (( segid "    " and resid 71   and name HB2 ))
 )(
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )
      5.000     5.000     0.000 peak  5396 weight  0.10000E+01 volume  0.13650E+01 ppm1      0.746 ppm2      0.594
 ASSI (
   (( segid "    " and resid 71   and name HB2 ))
 )(
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )
      5.000     5.000     0.000 peak  8678 weight  0.10000E+01 volume  0.12570E+01 ppm1      0.745 ppm2      0.498
 ASSI (
   (( segid "    " and resid 71   and name HB2 ))
 )(
   (( segid "    " and resid 71   and name HG  ))
 )
      5.000     5.000     0.000 peak  5394 weight  0.10000E+01 volume  0.14600E+01 ppm1      0.746 ppm2      0.999
 ASSI (
   (( segid "    " and resid 71   and name HB2 ))
 )(
   (( segid "    " and resid 71   and name HN  ))
 )
      5.000     5.000     0.000 peak  6079 weight  0.10000E+01 volume  0.57100E+00 ppm1      0.743 ppm2      8.288
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 71   and name HB1 ))
 )
      2.700     2.700     0.000 peak  5658 weight  0.10000E+01 volume  0.33730E+01 ppm1      0.588 ppm2      1.542
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 71   and name HG  ))
 )
      2.700     2.700     0.000 peak  8702 weight  0.10000E+01 volume  0.52190E+01 ppm1      0.589 ppm2      1.017
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 71   and name HN  ))
 )
      5.000     5.000     0.000 peak  8688 weight  0.10000E+01 volume  0.12790E+01 ppm1      0.588 ppm2      8.286
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 72   and name HN  ))
 )
      6.000     6.000     0.000 peak  8685 weight  0.10000E+01 volume  0.21800E+00 ppm1      0.588 ppm2      8.524
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 74   and name HA1 ))
 )
      3.300     3.300     0.000 peak  8693 weight  0.10000E+01 volume  0.20320E+01 ppm1      0.588 ppm2      4.323
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 74   and name HA2 ))
 )
      5.000     5.000     0.000 peak  5043 weight  0.10000E+01 volume  0.79100E+00 ppm1      0.589 ppm2      4.114
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 90   and name HA  ))
 )
      5.000     5.000     0.000 peak  5076 weight  0.10000E+01 volume  0.61600E+00 ppm1      0.588 ppm2      5.401
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 90   and name HB1 ))
 )
      3.300     3.300     0.000 peak  5661 weight  0.10000E+01 volume  0.17580E+01 ppm1      0.589 ppm2      2.777
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 90   and name HB2 ))
 )
      3.300     3.300     0.000 peak  5660 weight  0.10000E+01 volume  0.16170E+01 ppm1      0.586 ppm2      2.537
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      3.300     3.300     0.000 peak  8689 weight  0.10000E+01 volume  0.16970E+01 ppm1      0.588 ppm2      7.023
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 91   and name HN  ))
 )
      5.000     5.000     0.000 peak  6948 weight  0.10000E+01 volume  0.11280E+01 ppm1      0.588 ppm2      8.264
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 92   and name HA  ))
 )
      5.000     5.000     0.000 peak  5663 weight  0.10000E+01 volume  0.44300E+00 ppm1      0.588 ppm2      5.266
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 93   and name HN  ))
 )
      5.000     5.000     0.000 peak  6986 weight  0.10000E+01 volume  0.34300E+00 ppm1      0.587 ppm2      8.887
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 119  and name HA  ))
 )
      6.000     6.000     0.000 peak  8695 weight  0.10000E+01 volume  0.25900E+00 ppm1      0.589 ppm2      3.363
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 120  and name HD1 ))
 )
      5.000     5.000     0.000 peak  8699 weight  0.10000E+01 volume  0.44700E+00 ppm1      0.589 ppm2      2.192
 ASSI (
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )(
   (( segid "    " and resid 120  and name HD2 ))
 )
      5.000     5.000     0.000 peak  5659 weight  0.10000E+01 volume  0.98400E+00 ppm1      0.588 ppm2      2.044
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 71   and name HG  ))
 )
      3.300     3.300     0.000 peak  8717 weight  0.10000E+01 volume  0.28110E+01 ppm1      0.476 ppm2      1.014
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 71   and name HN  ))
 )
      5.000     5.000     0.000 peak  8705 weight  0.10000E+01 volume  0.45400E+00 ppm1      0.478 ppm2      8.286
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 72   and name HA  ))
 )
      6.000     6.000     0.000 peak  8711 weight  0.10000E+01 volume  0.11200E+00 ppm1      0.476 ppm2      3.826
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 72   and name HN  ))
 )
      5.000     5.000     0.000 peak  6089 weight  0.10000E+01 volume  0.12100E+01 ppm1      0.476 ppm2      8.520
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8707 weight  0.10000E+01 volume  0.28900E+00 ppm1      0.477 ppm2      7.030
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 119  and name HB2 ))
 )
      5.000     5.000     0.000 peak  5668 weight  0.10000E+01 volume  0.11190E+01 ppm1      0.475 ppm2      1.233
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 120  and name HD1 ))
 )
      5.000     5.000     0.000 peak  5671 weight  0.10000E+01 volume  0.81600E+00 ppm1      0.475 ppm2      2.187
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 120  and name HD2 ))
 )
      5.000     5.000     0.000 peak  5669 weight  0.10000E+01 volume  0.11370E+01 ppm1      0.476 ppm2      2.046
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 121  and name HN  ))
 )
      6.000     6.000     0.000 peak  8706 weight  0.10000E+01 volume  0.26200E+00 ppm1      0.477 ppm2      7.961
 ASSI (
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )(
   (( segid "    " and resid 122  and name HN  ))
 )
      5.000     5.000     0.000 peak  8704 weight  0.10000E+01 volume  0.12900E+01 ppm1      0.477 ppm2      8.763
 ASSI (
   (( segid "    " and resid 71   and name HG  ))
 )(
   (( segid "    " and resid 70   and name HA  ))
 )
      6.000     6.000     0.000 peak  8654 weight  0.10000E+01 volume  0.28300E+00 ppm1      1.004 ppm2      4.118
 ASSI (
   (( segid "    " and resid 71   and name HG  ))
 )(
   (( segid "    " and resid 74   and name HN  ))
 )
      6.000     6.000     0.000 peak  8681 weight  0.10000E+01 volume  0.96000E-01 ppm1      1.003 ppm2      7.635
 ASSI (
   (( segid "    " and resid 71   and name HG  ))
 )(
   (( segid "    " and resid 75   and name HN  ))
 )
      6.000     6.000     0.000 peak  8680 weight  0.10000E+01 volume  0.19000E+00 ppm1      1.006 ppm2      8.808
 ASSI (
   (( segid "    " and resid 72   and name HA  ))
 )(
   (( segid "    " and resid 72   and name HB1 ))
 )
      3.300     3.300     0.000 peak  8725 weight  0.10000E+01 volume  0.26040E+01 ppm1      3.817 ppm2      1.627
 ASSI (
   (( segid "    " and resid 72   and name HA  ))
 )(
   (( segid "    " and resid 72   and name HD2 ))
  OR 
   (( segid "    " and resid 72   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8721 weight  0.10000E+01 volume  0.27800E+00 ppm1      3.817 ppm2      3.123
 ASSI (
   (( segid "    " and resid 72   and name HA  ))
 )(
   (( segid "    " and resid 72   and name HG1 ))
 )
      3.300     3.300     0.000 peak  8724 weight  0.10000E+01 volume  0.28310E+01 ppm1      3.817 ppm2      1.534
 ASSI (
   (( segid "    " and resid 72   and name HA  ))
 )(
   (( segid "    " and resid 72   and name HN  ))
 )
      5.000     5.000     0.000 peak  8719 weight  0.10000E+01 volume  0.82500E+00 ppm1      3.818 ppm2      8.520
 ASSI (
   (( segid "    " and resid 72   and name HA  ))
 )(
   (( segid "    " and resid 74   and name HN  ))
 )
      5.000     5.000     0.000 peak  6532 weight  0.10000E+01 volume  0.42800E+00 ppm1      3.817 ppm2      7.633
 ASSI (
   (( segid "    " and resid 72   and name HB1 ))
 )(
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )
      5.000     5.000     0.000 peak  8733 weight  0.10000E+01 volume  0.33100E+00 ppm1      1.618 ppm2      0.498
 ASSI (
   (( segid "    " and resid 72   and name HB1 ))
 )(
   (( segid "    " and resid 72   and name HN  ))
 )
      2.700     2.700     0.000 peak  8728 weight  0.10000E+01 volume  0.40590E+01 ppm1      1.617 ppm2      8.522
 ASSI (
   (( segid "    " and resid 72   and name HB1 ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      5.000     5.000     0.000 peak  8726 weight  0.10000E+01 volume  0.57200E+00 ppm1      1.618 ppm2      8.875
 ASSI (
   (( segid "    " and resid 72   and name HB2 ))
 )(
   (( segid "    " and resid 71   and name HA  ))
 )
      5.000     5.000     0.000 peak  8730 weight  0.10000E+01 volume  0.10300E+01 ppm1      1.543 ppm2      4.320
 ASSI (
   (( segid "    " and resid 72   and name HB2 ))
 )(
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )
      5.000     5.000     0.000 peak  8734 weight  0.10000E+01 volume  0.80200E+00 ppm1      1.542 ppm2      0.497
 ASSI (
   (( segid "    " and resid 72   and name HB2 ))
 )(
   (( segid "    " and resid 72   and name HA  ))
 )
      3.300     3.300     0.000 peak  8732 weight  0.10000E+01 volume  0.24000E+01 ppm1      1.541 ppm2      3.830
 ASSI (
   (( segid "    " and resid 72   and name HB2 ))
 )(
   (( segid "    " and resid 72   and name HN  ))
 )
      2.700     2.700     0.000 peak  6093 weight  0.10000E+01 volume  0.33100E+01 ppm1      1.542 ppm2      8.518
 ASSI (
   (( segid "    " and resid 72   and name HB2 ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      5.000     5.000     0.000 peak  8727 weight  0.10000E+01 volume  0.55300E+00 ppm1      1.541 ppm2      8.874
 ASSI (
   (( segid "    " and resid 72   and name HD2 ))
  OR 
   (( segid "    " and resid 72   and name HD1 ))
 )(
   (( segid "    " and resid 72   and name HN  ))
 )
      5.000     5.000     0.000 peak  6753 weight  0.10000E+01 volume  0.38100E+00 ppm1      3.104 ppm2      8.524
 ASSI (
   (( segid "    " and resid 72   and name HD2 ))
  OR 
   (( segid "    " and resid 72   and name HD1 ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      5.000     5.000     0.000 peak  6758 weight  0.10000E+01 volume  0.33000E+00 ppm1      3.102 ppm2      8.868
 ASSI (
   (( segid "    " and resid 72   and name HG1 ))
 )(
   (( segid "    " and resid 72   and name HN  ))
 )
      5.000     5.000     0.000 peak  8735 weight  0.10000E+01 volume  0.14100E+01 ppm1      1.538 ppm2      8.516
 ASSI (
   (( segid "    " and resid 72   and name HG1 ))
 )(
   (( segid "    " and resid 73   and name HD21))
 )
      5.000     5.000     0.000 peak  8739 weight  0.10000E+01 volume  0.12740E+01 ppm1      1.538 ppm2      7.307
 ASSI (
   (( segid "    " and resid 72   and name HG1 ))
 )(
   (( segid "    " and resid 73   and name HD22))
 )
      5.000     5.000     0.000 peak  8742 weight  0.10000E+01 volume  0.90200E+00 ppm1      1.536 ppm2      6.743
 ASSI (
   (( segid "    " and resid 72   and name HG1 ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      5.000     5.000     0.000 peak  8737 weight  0.10000E+01 volume  0.93000E+00 ppm1      1.538 ppm2      8.866
 ASSI (
   (( segid "    " and resid 72   and name HG2 ))
 )(
   (( segid "    " and resid 72   and name HA  ))
 )
      3.300     3.300     0.000 peak  5677 weight  0.10000E+01 volume  0.16270E+01 ppm1      1.479 ppm2      3.824
 ASSI (
   (( segid "    " and resid 72   and name HG2 ))
 )(
   (( segid "    " and resid 73   and name HD21))
 )
      5.000     5.000     0.000 peak  8741 weight  0.10000E+01 volume  0.13350E+01 ppm1      1.476 ppm2      7.308
 ASSI (
   (( segid "    " and resid 72   and name HG2 ))
 )(
   (( segid "    " and resid 73   and name HD22))
 )
      5.000     5.000     0.000 peak  8743 weight  0.10000E+01 volume  0.11610E+01 ppm1      1.481 ppm2      6.741
 ASSI (
   (( segid "    " and resid 72   and name HG2 ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      5.000     5.000     0.000 peak  8738 weight  0.10000E+01 volume  0.91900E+00 ppm1      1.477 ppm2      8.866
 ASSI (
   (( segid "    " and resid 73   and name HA  ))
 )(
   (( segid "    " and resid 73   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8748 weight  0.10000E+01 volume  0.85900E+00 ppm1      3.781 ppm2      2.139
 ASSI (
   (( segid "    " and resid 73   and name HA  ))
 )(
   (( segid "    " and resid 73   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8749 weight  0.10000E+01 volume  0.12000E+01 ppm1      3.781 ppm2      0.975
 ASSI (
   (( segid "    " and resid 73   and name HA  ))
 )(
   (( segid "    " and resid 73   and name HD22))
 )
      6.000     6.000     0.000 peak  8746 weight  0.10000E+01 volume  0.18300E+00 ppm1      3.782 ppm2      6.744
 ASSI (
   (( segid "    " and resid 73   and name HA  ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      3.300     3.300     0.000 peak  6997 weight  0.10000E+01 volume  0.29360E+01 ppm1      3.782 ppm2      8.879
 ASSI (
   (( segid "    " and resid 73   and name HB1 ))
 )(
   (( segid "    " and resid 73   and name HB2 ))
 )
      3.300     3.300     0.000 peak  8761 weight  0.10000E+01 volume  0.29890E+01 ppm1      2.121 ppm2      0.972
 ASSI (
   (( segid "    " and resid 73   and name HB1 ))
 )(
   (( segid "    " and resid 73   and name HD21))
 )
      5.000     5.000     0.000 peak  8752 weight  0.10000E+01 volume  0.65900E+00 ppm1      2.121 ppm2      7.308
 ASSI (
   (( segid "    " and resid 73   and name HB1 ))
 )(
   (( segid "    " and resid 73   and name HD22))
 )
      5.000     5.000     0.000 peak  8756 weight  0.10000E+01 volume  0.62000E+00 ppm1      2.122 ppm2      6.742
 ASSI (
   (( segid "    " and resid 73   and name HB1 ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      6.000     6.000     0.000 peak  8750 weight  0.10000E+01 volume  0.29400E+00 ppm1      2.120 ppm2      8.866
 ASSI (
   (( segid "    " and resid 73   and name HB1 ))
 )(
   (( segid "    " and resid 122  and name HB1 ))
 )
      5.000     5.000     0.000 peak  5157 weight  0.10000E+01 volume  0.43400E+00 ppm1      2.121 ppm2      2.761
 ASSI (
   (( segid "    " and resid 73   and name HB2 ))
 )(
   (( segid "    " and resid 73   and name HD21))
 )
      5.000     5.000     0.000 peak  8753 weight  0.10000E+01 volume  0.51100E+00 ppm1      0.960 ppm2      7.308
 ASSI (
   (( segid "    " and resid 73   and name HB2 ))
 )(
   (( segid "    " and resid 73   and name HD22))
 )
      5.000     5.000     0.000 peak  8757 weight  0.10000E+01 volume  0.50800E+00 ppm1      0.960 ppm2      6.742
 ASSI (
   (( segid "    " and resid 73   and name HB2 ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      5.000     5.000     0.000 peak  8751 weight  0.10000E+01 volume  0.33100E+00 ppm1      0.963 ppm2      8.869
 ASSI (
   (( segid "    " and resid 73   and name HB2 ))
 )(
   (( segid "    " and resid 122  and name HB1 ))
 )
      5.000     5.000     0.000 peak  5398 weight  0.10000E+01 volume  0.51400E+00 ppm1      0.958 ppm2      2.765
 ASSI (
   (( segid "    " and resid 74   and name HA1 ))
 )(
   (( segid "    " and resid 71   and name HG  ))
 )
      5.000     5.000     0.000 peak  5040 weight  0.10000E+01 volume  0.39400E+00 ppm1      4.325 ppm2      1.014
 ASSI (
   (( segid "    " and resid 74   and name HA1 ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      5.000     5.000     0.000 peak  7001 weight  0.10000E+01 volume  0.10580E+01 ppm1      4.322 ppm2      8.884
 ASSI (
   (( segid "    " and resid 74   and name HA1 ))
 )(
   (( segid "    " and resid 74   and name HA2 ))
 )
      3.300     3.300     0.000 peak  8783 weight  0.10000E+01 volume  0.20410E+01 ppm1      4.324 ppm2      4.112
 ASSI (
   (( segid "    " and resid 74   and name HA1 ))
 )(
   (( segid "    " and resid 74   and name HN  ))
 )
      5.000     5.000     0.000 peak  6113 weight  0.10000E+01 volume  0.40900E+00 ppm1      4.322 ppm2      7.638
 ASSI (
   (( segid "    " and resid 74   and name HA1 ))
 )(
   (( segid "    " and resid 92   and name HA  ))
 )
      5.000     5.000     0.000 peak  8778 weight  0.10000E+01 volume  0.11280E+01 ppm1      4.322 ppm2      5.261
 ASSI (
   (( segid "    " and resid 74   and name HA2 ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      5.000     5.000     0.000 peak  8775 weight  0.10000E+01 volume  0.58400E+00 ppm1      4.104 ppm2      8.886
 ASSI (
   (( segid "    " and resid 74   and name HA2 ))
 )(
   (( segid "    " and resid 74   and name HN  ))
 )
      5.000     5.000     0.000 peak  8777 weight  0.10000E+01 volume  0.30700E+00 ppm1      4.103 ppm2      7.637
 ASSI (
   (( segid "    " and resid 74   and name HA2 ))
 )(
   (( segid "    " and resid 92   and name HA  ))
 )
      5.000     5.000     0.000 peak  8780 weight  0.10000E+01 volume  0.75800E+00 ppm1      4.104 ppm2      5.261
 ASSI (
   (( segid "    " and resid 75   and name HA  ))
 )(
   (( segid "    " and resid 75   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8785 weight  0.10000E+01 volume  0.59000E+00 ppm1      4.726 ppm2      1.901
 ASSI (
   (( segid "    " and resid 75   and name HA  ))
 )(
   (( segid "    " and resid 75   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8786 weight  0.10000E+01 volume  0.62000E+00 ppm1      4.727 ppm2      1.778
 ASSI (
   (( segid "    " and resid 75   and name HA  ))
 )(
   (( segid "    " and resid 75   and name HG2 ))
  OR 
   (( segid "    " and resid 75   and name HG1 ))
 )
      5.000     5.000     0.000 peak  5045 weight  0.10000E+01 volume  0.51700E+00 ppm1      4.727 ppm2      2.150
 ASSI (
   (( segid "    " and resid 75   and name HA  ))
 )(
   (( segid "    " and resid 75   and name HN  ))
 )
      5.000     5.000     0.000 peak  6769 weight  0.10000E+01 volume  0.43900E+00 ppm1      4.728 ppm2      8.797
 ASSI (
   (( segid "    " and resid 75   and name HB1 ))
 )(
   (( segid "    " and resid 75   and name HN  ))
 )
      5.000     5.000     0.000 peak  8789 weight  0.10000E+01 volume  0.36700E+00 ppm1      1.888 ppm2      8.803
 ASSI (
   (( segid "    " and resid 75   and name HB2 ))
 )(
   (( segid "    " and resid 75   and name HN  ))
 )
      6.000     6.000     0.000 peak  8788 weight  0.10000E+01 volume  0.29000E+00 ppm1      1.781 ppm2      8.802
 ASSI (
   (( segid "    " and resid 75   and name HB2 ))
 )(
   (( segid "    " and resid 76   and name HN  ))
 )
      5.000     5.000     0.000 peak  8790 weight  0.10000E+01 volume  0.90000E+00 ppm1      1.781 ppm2      8.337
 ASSI (
   (( segid "    " and resid 75   and name HG2 ))
  OR 
   (( segid "    " and resid 75   and name HG1 ))
 )(
   (( segid "    " and resid 76   and name HN  ))
 )
      5.000     5.000     0.000 peak  8793 weight  0.10000E+01 volume  0.36400E+00 ppm1      2.131 ppm2      8.351
 ASSI (
   (( segid "    " and resid 76   and name HA  ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      3.300     3.300     0.000 peak  8800 weight  0.10000E+01 volume  0.19410E+01 ppm1      4.300 ppm2      0.499
 ASSI (
   (( segid "    " and resid 76   and name HA  ))
 )(
   (( segid "    " and resid 77   and name HB2 ))
  OR 
   (( segid "    " and resid 77   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8799 weight  0.10000E+01 volume  0.80900E+00 ppm1      4.301 ppm2      1.809
 ASSI (
   (( segid "    " and resid 76   and name HA  ))
 )(
   (( segid "    " and resid 77   and name HN  ))
 )
      3.300     3.300     0.000 peak  6781 weight  0.10000E+01 volume  0.26260E+01 ppm1      4.297 ppm2      9.248
 ASSI (
   (( segid "    " and resid 76   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HA  ))
 )
      5.000     5.000     0.000 peak  8797 weight  0.10000E+01 volume  0.66900E+00 ppm1      4.297 ppm2      5.415
 ASSI (
   (( segid "    " and resid 76   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8794 weight  0.10000E+01 volume  0.74900E+00 ppm1      4.297 ppm2      7.023
 ASSI (
   (( segid "    " and resid 76   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )
      5.000     5.000     0.000 peak  8796 weight  0.10000E+01 volume  0.31500E+00 ppm1      4.297 ppm2      6.695
 ASSI (
   (( segid "    " and resid 76   and name HB  ))
 )(
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )
      2.700     2.700     0.000 peak  8804 weight  0.10000E+01 volume  0.39860E+01 ppm1      2.001 ppm2      0.992
 ASSI (
   (( segid "    " and resid 76   and name HB  ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      2.700     2.700     0.000 peak  8805 weight  0.10000E+01 volume  0.42280E+01 ppm1      2.000 ppm2      0.497
 ASSI (
   (( segid "    " and resid 76   and name HB  ))
 )(
   (( segid "    " and resid 76   and name HN  ))
 )
      3.300     3.300     0.000 peak  6132 weight  0.10000E+01 volume  0.21140E+01 ppm1      2.001 ppm2      8.343
 ASSI (
   (( segid "    " and resid 76   and name HB  ))
 )(
   (( segid "    " and resid 77   and name HN  ))
 )
      6.000     6.000     0.000 peak  6779 weight  0.10000E+01 volume  0.21800E+00 ppm1      2.001 ppm2      9.253
 ASSI (
   (( segid "    " and resid 76   and name HB  ))
 )(
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )
      5.000     5.000     0.000 peak  5687 weight  0.10000E+01 volume  0.10640E+01 ppm1      1.998 ppm2      0.654
 ASSI (
   (( segid "    " and resid 76   and name HB  ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8801 weight  0.10000E+01 volume  0.35200E+00 ppm1      2.000 ppm2      7.024
 ASSI (
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 71   and name HN  ))
 )
      3.300     3.300     0.000 peak  8806 weight  0.10000E+01 volume  0.27350E+01 ppm1      0.980 ppm2      8.288
 ASSI (
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 75   and name HN  ))
 )
      5.000     5.000     0.000 peak  6765 weight  0.10000E+01 volume  0.36400E+00 ppm1      0.979 ppm2      8.805
 ASSI (
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 76   and name HN  ))
 )
      3.300     3.300     0.000 peak  6081 weight  0.10000E+01 volume  0.17830E+01 ppm1      0.980 ppm2      8.342
 ASSI (
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 77   and name HN  ))
 )
      5.000     5.000     0.000 peak  6139 weight  0.10000E+01 volume  0.57900E+00 ppm1      0.979 ppm2      9.255
 ASSI (
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      3.300     3.300     0.000 peak  8808 weight  0.10000E+01 volume  0.22170E+01 ppm1      0.980 ppm2      7.023
 ASSI (
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )(
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )
      3.300     3.300     0.000 peak  8810 weight  0.10000E+01 volume  0.17700E+01 ppm1      0.981 ppm2      6.693
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )(
   (( segid "    " and resid 76   and name HN  ))
 )
      5.000     5.000     0.000 peak  6127 weight  0.10000E+01 volume  0.82900E+00 ppm1      0.492 ppm2      8.335
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )(
   (( segid "    " and resid 77   and name HN  ))
 )
      5.000     5.000     0.000 peak  6137 weight  0.10000E+01 volume  0.82300E+00 ppm1      0.491 ppm2      9.255
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )(
   (( segid "    " and resid 78   and name HA  ))
 )
      6.000     6.000     0.000 peak  8822 weight  0.10000E+01 volume  0.26400E+00 ppm1      0.489 ppm2      4.067
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )(
   (( segid "    " and resid 88   and name HA  ))
 )
      5.000     5.000     0.000 peak  5681 weight  0.10000E+01 volume  0.49600E+00 ppm1      0.490 ppm2      4.721
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      3.300     3.300     0.000 peak  8824 weight  0.10000E+01 volume  0.19190E+01 ppm1      0.490 ppm2     -0.605
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )(
   (( segid "    " and resid 90   and name HA  ))
 )
      6.000     6.000     0.000 peak  8817 weight  0.10000E+01 volume  0.20600E+00 ppm1      0.490 ppm2      5.423
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8814 weight  0.10000E+01 volume  0.69400E+00 ppm1      0.490 ppm2      7.032
 ASSI (
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )(
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )
      5.000     5.000     0.000 peak  8816 weight  0.10000E+01 volume  0.12620E+01 ppm1      0.491 ppm2      6.694
 ASSI (
   (( segid "    " and resid 77   and name HA  ))
 )(
   (( segid "    " and resid 77   and name HN  ))
 )
      5.000     5.000     0.000 peak  6783 weight  0.10000E+01 volume  0.51800E+00 ppm1      4.416 ppm2      9.247
 ASSI (
   (( segid "    " and resid 77   and name HB1 ))
 )(
   (( segid "    " and resid 77   and name HA  ))
 )
      3.300     3.300     0.000 peak  8832 weight  0.10000E+01 volume  0.27380E+01 ppm1      1.824 ppm2      4.431
 ASSI (
   (( segid "    " and resid 77   and name HB1 ))
 )(
   (( segid "    " and resid 77   and name HN  ))
 )
      3.300     3.300     0.000 peak  6141 weight  0.10000E+01 volume  0.17320E+01 ppm1      1.821 ppm2      9.252
 ASSI (
   (( segid "    " and resid 77   and name HB1 ))
 )(
   (( segid "    " and resid 78   and name HN  ))
 )
      5.000     5.000     0.000 peak  8828 weight  0.10000E+01 volume  0.76000E+00 ppm1      1.822 ppm2      8.515
 ASSI (
   (( segid "    " and resid 77   and name HB1 ))
 )(
   (( segid "    " and resid 89   and name HN  ))
 )
      5.000     5.000     0.000 peak  8830 weight  0.10000E+01 volume  0.97000E+00 ppm1      1.822 ppm2      7.819
 ASSI (
   (( segid "    " and resid 77   and name HB2 ))
 )(
   (( segid "    " and resid 77   and name HA  ))
 )
      3.300     3.300     0.000 peak  8833 weight  0.10000E+01 volume  0.27320E+01 ppm1      1.782 ppm2      4.432
 ASSI (
   (( segid "    " and resid 77   and name HB2 ))
 )(
   (( segid "    " and resid 77   and name HN  ))
 )
      3.300     3.300     0.000 peak  6142 weight  0.10000E+01 volume  0.17100E+01 ppm1      1.782 ppm2      9.251
 ASSI (
   (( segid "    " and resid 77   and name HB2 ))
 )(
   (( segid "    " and resid 78   and name HN  ))
 )
      5.000     5.000     0.000 peak  8829 weight  0.10000E+01 volume  0.74600E+00 ppm1      1.782 ppm2      8.515
 ASSI (
   (( segid "    " and resid 77   and name HB2 ))
 )(
   (( segid "    " and resid 89   and name HN  ))
 )
      5.000     5.000     0.000 peak  8831 weight  0.10000E+01 volume  0.98500E+00 ppm1      1.783 ppm2      7.819
 ASSI (
   (( segid "    " and resid 77   and name HG1 ))
 )(
   (( segid "    " and resid 77   and name HA  ))
 )
      5.000     5.000     0.000 peak  8835 weight  0.10000E+01 volume  0.13740E+01 ppm1      2.055 ppm2      4.437
 ASSI (
   (( segid "    " and resid 77   and name HG1 ))
 )(
   (( segid "    " and resid 77   and name HN  ))
 )
      5.000     5.000     0.000 peak  8840 weight  0.10000E+01 volume  0.56700E+00 ppm1      2.061 ppm2      9.255
 ASSI (
   (( segid "    " and resid 77   and name HG1 ))
 )(
   (( segid "    " and resid 78   and name HN  ))
 )
      5.000     5.000     0.000 peak  8839 weight  0.10000E+01 volume  0.69300E+00 ppm1      2.061 ppm2      8.521
 ASSI (
   (( segid "    " and resid 77   and name HG2 ))
 )(
   (( segid "    " and resid 77   and name HA  ))
 )
      5.000     5.000     0.000 peak  8834 weight  0.10000E+01 volume  0.14370E+01 ppm1      1.971 ppm2      4.439
 ASSI (
   (( segid "    " and resid 77   and name HG2 ))
 )(
   (( segid "    " and resid 77   and name HN  ))
 )
      5.000     5.000     0.000 peak  8841 weight  0.10000E+01 volume  0.49800E+00 ppm1      1.970 ppm2      9.254
 ASSI (
   (( segid "    " and resid 77   and name HG2 ))
 )(
   (( segid "    " and resid 78   and name HN  ))
 )
      5.000     5.000     0.000 peak  8838 weight  0.10000E+01 volume  0.54900E+00 ppm1      1.969 ppm2      8.521
 ASSI (
   (( segid "    " and resid 78   and name HA  ))
 )(
   (( segid "    " and resid 78   and name HB  ))
 )
      5.000     5.000     0.000 peak  8845 weight  0.10000E+01 volume  0.10260E+01 ppm1      4.043 ppm2      1.802
 ASSI (
   (( segid "    " and resid 78   and name HA  ))
 )(
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      5.000     5.000     0.000 peak  8846 weight  0.10000E+01 volume  0.64100E+00 ppm1      4.044 ppm2      1.384
 ASSI (
   (( segid "    " and resid 78   and name HA  ))
 )(
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      3.300     3.300     0.000 peak  8847 weight  0.10000E+01 volume  0.24600E+01 ppm1      4.043 ppm2      0.684
 ASSI (
   (( segid "    " and resid 78   and name HA  ))
 )(
   (( segid "    " and resid 78   and name HN  ))
 )
      5.000     5.000     0.000 peak  8842 weight  0.10000E+01 volume  0.93900E+00 ppm1      4.044 ppm2      8.523
 ASSI (
   (( segid "    " and resid 78   and name HA  ))
 )(
   (( segid "    " and resid 79   and name HN  ))
 )
      3.300     3.300     0.000 peak  6349 weight  0.10000E+01 volume  0.18380E+01 ppm1      4.043 ppm2      7.869
 ASSI (
   (( segid "    " and resid 78   and name HB  ))
 )(
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      5.000     5.000     0.000 peak  5408 weight  0.10000E+01 volume  0.94300E+00 ppm1      1.786 ppm2      1.392
 ASSI (
   (( segid "    " and resid 78   and name HB  ))
 )(
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      2.700     2.700     0.000 peak  8851 weight  0.10000E+01 volume  0.50200E+01 ppm1      1.787 ppm2      0.684
 ASSI (
   (( segid "    " and resid 78   and name HB  ))
 )(
   (( segid "    " and resid 78   and name HN  ))
 )
      3.300     3.300     0.000 peak  8848 weight  0.10000E+01 volume  0.17230E+01 ppm1      1.787 ppm2      8.512
 ASSI (
   (( segid "    " and resid 78   and name HB  ))
 )(
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )
      5.000     5.000     0.000 peak  8852 weight  0.10000E+01 volume  0.35000E+00 ppm1      1.786 ppm2      0.498
 ASSI (
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )(
   (( segid "    " and resid 77   and name HG1 ))
 )
      5.000     5.000     0.000 peak  8873 weight  0.10000E+01 volume  0.33900E+00 ppm1      0.654 ppm2      2.047
 ASSI (
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )(
   (( segid "    " and resid 78   and name HA  ))
 )
      5.000     5.000     0.000 peak  8870 weight  0.10000E+01 volume  0.92900E+00 ppm1      0.656 ppm2      4.062
 ASSI (
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )(
   (( segid "    " and resid 78   and name HN  ))
 )
      5.000     5.000     0.000 peak  6795 weight  0.10000E+01 volume  0.72400E+00 ppm1      0.658 ppm2      8.511
 ASSI (
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )(
   (( segid "    " and resid 79   and name HN  ))
 )
      5.000     5.000     0.000 peak  8864 weight  0.10000E+01 volume  0.48500E+00 ppm1      0.656 ppm2      7.850
 ASSI (
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      5.000     5.000     0.000 peak  8867 weight  0.10000E+01 volume  0.57200E+00 ppm1      0.658 ppm2      4.670
 ASSI (
   (( segid "    " and resid 78   and name HD13))
  OR 
   (( segid "    " and resid 78   and name HD12))
  OR 
   (( segid "    " and resid 78   and name HD11))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      3.300     3.300     0.000 peak  5685 weight  0.10000E+01 volume  0.15880E+01 ppm1      0.656 ppm2     -0.604
 ASSI (
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )(
   (( segid "    " and resid 78   and name HN  ))
 )
      5.000     5.000     0.000 peak  8855 weight  0.10000E+01 volume  0.11110E+01 ppm1      1.378 ppm2      8.519
 ASSI (
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )(
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      3.300     3.300     0.000 peak  8861 weight  0.10000E+01 volume  0.15210E+01 ppm1      0.677 ppm2      1.390
 ASSI (
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )(
   (( segid "    " and resid 78   and name HN  ))
 )
      5.000     5.000     0.000 peak  6796 weight  0.10000E+01 volume  0.81500E+00 ppm1      0.676 ppm2      8.510
 ASSI (
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )(
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8860 weight  0.10000E+01 volume  0.62600E+00 ppm1      0.675 ppm2      1.909
 ASSI (
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )(
   (( segid "    " and resid 79   and name HE2 ))
 )
      6.000     6.000     0.000 peak  5684 weight  0.10000E+01 volume  0.29700E+00 ppm1      0.677 ppm2      2.803
 ASSI (
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )(
   (( segid "    " and resid 80   and name HN  ))
 )
      5.000     5.000     0.000 peak  6818 weight  0.10000E+01 volume  0.56900E+00 ppm1      0.676 ppm2      8.952
 ASSI (
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )(
   (( segid "    " and resid 81   and name HN  ))
 )
      5.000     5.000     0.000 peak  6832 weight  0.10000E+01 volume  0.56700E+00 ppm1      0.678 ppm2      8.731
 ASSI (
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )(
   (( segid "    " and resid 82   and name HG  ))
 )
      5.000     5.000     0.000 peak  5698 weight  0.10000E+01 volume  0.66600E+00 ppm1      0.676 ppm2      1.660
 ASSI (
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )(
   (( segid "    " and resid 82   and name HN  ))
 )
      5.000     5.000     0.000 peak  6846 weight  0.10000E+01 volume  0.45800E+00 ppm1      0.676 ppm2      7.927
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )
      2.700     2.700     0.000 peak  8878 weight  0.10000E+01 volume  0.34170E+01 ppm1      4.221 ppm2      1.907
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 79   and name HD2 ))
  OR 
   (( segid "    " and resid 79   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8879 weight  0.10000E+01 volume  0.10900E+01 ppm1      4.221 ppm2      1.555
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 79   and name HG2 ))
 )
      5.000     5.000     0.000 peak  8881 weight  0.10000E+01 volume  0.65000E+00 ppm1      4.222 ppm2      1.306
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 79   and name HN  ))
 )
      5.000     5.000     0.000 peak  6811 weight  0.10000E+01 volume  0.66100E+00 ppm1      4.221 ppm2      7.876
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 80   and name HG23))
  OR 
   (( segid "    " and resid 80   and name HG22))
  OR 
   (( segid "    " and resid 80   and name HG21))
 )
      5.000     5.000     0.000 peak  5051 weight  0.10000E+01 volume  0.44000E+00 ppm1      4.222 ppm2      1.119
 ASSI (
   (( segid "    " and resid 79   and name HA  ))
 )(
   (( segid "    " and resid 80   and name HN  ))
 )
      5.000     5.000     0.000 peak  8874 weight  0.10000E+01 volume  0.69800E+00 ppm1      4.223 ppm2      8.947
 ASSI (
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )(
   (( segid "    " and resid 78   and name HA  ))
 )
      5.000     5.000     0.000 peak  8883 weight  0.10000E+01 volume  0.14710E+01 ppm1      1.891 ppm2      4.066
 ASSI (
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )(
   (( segid "    " and resid 79   and name HN  ))
 )
      3.300     3.300     0.000 peak  6808 weight  0.10000E+01 volume  0.25890E+01 ppm1      1.896 ppm2      7.866
 ASSI (
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )(
   (( segid "    " and resid 80   and name HG23))
  OR 
   (( segid "    " and resid 80   and name HG22))
  OR 
   (( segid "    " and resid 80   and name HG21))
 )
      3.300     3.300     0.000 peak  5409 weight  0.10000E+01 volume  0.21430E+01 ppm1      1.892 ppm2      1.121
 ASSI (
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )(
   (( segid "    " and resid 80   and name HN  ))
 )
      5.000     5.000     0.000 peak  6823 weight  0.10000E+01 volume  0.89300E+00 ppm1      1.889 ppm2      8.949
 ASSI (
   (( segid "    " and resid 79   and name HD2 ))
  OR 
   (( segid "    " and resid 79   and name HD1 ))
 )(
   (( segid "    " and resid 79   and name HN  ))
 )
      5.000     5.000     0.000 peak  6806 weight  0.10000E+01 volume  0.31500E+00 ppm1      1.545 ppm2      7.868
 ASSI (
   (( segid "    " and resid 79   and name HE1 ))
 )(
   (( segid "    " and resid 79   and name HD2 ))
  OR 
   (( segid "    " and resid 79   and name HD1 ))
 )
      2.700     2.700     0.000 peak  8910 weight  0.10000E+01 volume  0.34370E+01 ppm1      2.852 ppm2      1.555
 ASSI (
   (( segid "    " and resid 79   and name HE2 ))
 )(
   (( segid "    " and resid 79   and name HD2 ))
  OR 
   (( segid "    " and resid 79   and name HD1 ))
 )
      2.700     2.700     0.000 peak  8911 weight  0.10000E+01 volume  0.33120E+01 ppm1      2.789 ppm2      1.555
 ASSI (
   (( segid "    " and resid 79   and name HG1 ))
 )(
   (( segid "    " and resid 78   and name HA  ))
 )
      6.000     6.000     0.000 peak  8886 weight  0.10000E+01 volume  0.26300E+00 ppm1      1.399 ppm2      4.065
 ASSI (
   (( segid "    " and resid 79   and name HG1 ))
 )(
   (( segid "    " and resid 79   and name HA  ))
 )
      5.000     5.000     0.000 peak  5055 weight  0.10000E+01 volume  0.11850E+01 ppm1      1.397 ppm2      4.239
 ASSI (
   (( segid "    " and resid 79   and name HG1 ))
 )(
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )
      2.700     2.700     0.000 peak  8893 weight  0.10000E+01 volume  0.56190E+01 ppm1      1.400 ppm2      1.904
 ASSI (
   (( segid "    " and resid 79   and name HG1 ))
 )(
   (( segid "    " and resid 79   and name HE1 ))
 )
      5.000     5.000     0.000 peak  8888 weight  0.10000E+01 volume  0.67500E+00 ppm1      1.399 ppm2      2.836
 ASSI (
   (( segid "    " and resid 79   and name HG1 ))
 )(
   (( segid "    " and resid 79   and name HN  ))
 )
      5.000     5.000     0.000 peak  6338 weight  0.10000E+01 volume  0.72600E+00 ppm1      1.400 ppm2      7.870
 ASSI (
   (( segid "    " and resid 79   and name HG2 ))
 )(
   (( segid "    " and resid 78   and name HA  ))
 )
      6.000     6.000     0.000 peak  8887 weight  0.10000E+01 volume  0.23500E+00 ppm1      1.326 ppm2      4.065
 ASSI (
   (( segid "    " and resid 79   and name HG2 ))
 )(
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )
      2.700     2.700     0.000 peak  8894 weight  0.10000E+01 volume  0.54910E+01 ppm1      1.324 ppm2      1.903
 ASSI (
   (( segid "    " and resid 79   and name HG2 ))
 )(
   (( segid "    " and resid 79   and name HN  ))
 )
      5.000     5.000     0.000 peak  6337 weight  0.10000E+01 volume  0.69800E+00 ppm1      1.324 ppm2      7.870
 ASSI (
   (( segid "    " and resid 80   and name HA  ))
 )(
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )
      6.000     6.000     0.000 peak  8918 weight  0.10000E+01 volume  0.22100E+00 ppm1      4.433 ppm2      1.907
 ASSI (
   (( segid "    " and resid 80   and name HA  ))
 )(
   (( segid "    " and resid 80   and name HB  ))
 )
      3.300     3.300     0.000 peak  8917 weight  0.10000E+01 volume  0.18100E+01 ppm1      4.434 ppm2      4.278
 ASSI (
   (( segid "    " and resid 80   and name HA  ))
 )(
   (( segid "    " and resid 80   and name HG23))
  OR 
   (( segid "    " and resid 80   and name HG22))
  OR 
   (( segid "    " and resid 80   and name HG21))
 )
      2.700     2.700     0.000 peak  8919 weight  0.10000E+01 volume  0.42350E+01 ppm1      4.434 ppm2      1.126
 ASSI (
   (( segid "    " and resid 80   and name HA  ))
 )(
   (( segid "    " and resid 80   and name HN  ))
 )
      5.000     5.000     0.000 peak  6828 weight  0.10000E+01 volume  0.35300E+00 ppm1      4.435 ppm2      8.953
 ASSI (
   (( segid "    " and resid 80   and name HA  ))
 )(
   (( segid "    " and resid 81   and name HN  ))
 )
      5.000     5.000     0.000 peak  8915 weight  0.10000E+01 volume  0.46600E+00 ppm1      4.434 ppm2      8.732
 ASSI (
   (( segid "    " and resid 80   and name HA  ))
 )(
   (( segid "    " and resid 83   and name HG  ))
 )
      6.000     6.000     0.000 peak  8916 weight  0.10000E+01 volume  0.20700E+00 ppm1      4.435 ppm2      4.623
 ASSI (
   (( segid "    " and resid 80   and name HB  ))
 )(
   (( segid "    " and resid 80   and name HN  ))
 )
      5.000     5.000     0.000 peak  8920 weight  0.10000E+01 volume  0.36500E+00 ppm1      4.256 ppm2      8.947
 ASSI (
   (( segid "    " and resid 80   and name HB  ))
 )(
   (( segid "    " and resid 81   and name HN  ))
 )
      5.000     5.000     0.000 peak  6841 weight  0.10000E+01 volume  0.10790E+01 ppm1      4.257 ppm2      8.736
 ASSI (
   (( segid "    " and resid 80   and name HG23))
  OR 
   (( segid "    " and resid 80   and name HG22))
  OR 
   (( segid "    " and resid 80   and name HG21))
 )(
   (( segid "    " and resid 79   and name HN  ))
 )
      6.000     6.000     0.000 peak  8921 weight  0.10000E+01 volume  0.24600E+00 ppm1      1.114 ppm2      7.873
 ASSI (
   (( segid "    " and resid 80   and name HG23))
  OR 
   (( segid "    " and resid 80   and name HG22))
  OR 
   (( segid "    " and resid 80   and name HG21))
 )(
   (( segid "    " and resid 80   and name HB  ))
 )
      3.300     3.300     0.000 peak  5696 weight  0.10000E+01 volume  0.27630E+01 ppm1      1.115 ppm2      4.281
 ASSI (
   (( segid "    " and resid 80   and name HG23))
  OR 
   (( segid "    " and resid 80   and name HG22))
  OR 
   (( segid "    " and resid 80   and name HG21))
 )(
   (( segid "    " and resid 80   and name HN  ))
 )
      5.000     5.000     0.000 peak  6820 weight  0.10000E+01 volume  0.50400E+00 ppm1      1.113 ppm2      8.954
 ASSI (
   (( segid "    " and resid 80   and name HG23))
  OR 
   (( segid "    " and resid 80   and name HG22))
  OR 
   (( segid "    " and resid 80   and name HG21))
 )(
   (( segid "    " and resid 81   and name HN  ))
 )
      5.000     5.000     0.000 peak  6834 weight  0.10000E+01 volume  0.47100E+00 ppm1      1.112 ppm2      8.732
 ASSI (
   (( segid "    " and resid 81   and name HA  ))
 )(
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      5.000     5.000     0.000 peak  5053 weight  0.10000E+01 volume  0.95700E+00 ppm1      4.457 ppm2      0.684
 ASSI (
   (( segid "    " and resid 81   and name HA  ))
 )(
   (( segid "    " and resid 81   and name HB2 ))
 )
      3.300     3.300     0.000 peak  8927 weight  0.10000E+01 volume  0.15790E+01 ppm1      4.458 ppm2      2.797
 ASSI (
   (( segid "    " and resid 81   and name HA  ))
 )(
   (( segid "    " and resid 82   and name HN  ))
 )
      5.000     5.000     0.000 peak  6862 weight  0.10000E+01 volume  0.65800E+00 ppm1      4.459 ppm2      7.929
 ASSI (
   (( segid "    " and resid 81   and name HB1 ))
 )(
   (( segid "    " and resid 81   and name HA  ))
 )
      3.300     3.300     0.000 peak  8930 weight  0.10000E+01 volume  0.21830E+01 ppm1      3.003 ppm2      4.470
 ASSI (
   (( segid "    " and resid 81   and name HB1 ))
 )(
   (( segid "    " and resid 81   and name HB2 ))
 )
      2.700     2.700     0.000 peak  8933 weight  0.10000E+01 volume  0.42840E+01 ppm1      3.001 ppm2      2.794
 ASSI (
   (( segid "    " and resid 81   and name HB1 ))
 )(
   (( segid "    " and resid 81   and name HN  ))
 )
      5.000     5.000     0.000 peak  6838 weight  0.10000E+01 volume  0.63100E+00 ppm1      3.003 ppm2      8.732
 ASSI (
   (( segid "    " and resid 81   and name HB1 ))
 )(
   (( segid "    " and resid 83   and name HN  ))
 )
      5.000     5.000     0.000 peak  6875 weight  0.10000E+01 volume  0.14000E+01 ppm1      3.000 ppm2      7.912
 ASSI (
   (( segid "    " and resid 81   and name HB2 ))
 )(
   (( segid "    " and resid 81   and name HN  ))
 )
      6.000     6.000     0.000 peak  8929 weight  0.10000E+01 volume  0.27400E+00 ppm1      2.783 ppm2      8.732
 ASSI (
   (( segid "    " and resid 81   and name HB2 ))
 )(
   (( segid "    " and resid 82   and name HN  ))
 )
      5.000     5.000     0.000 peak  6544 weight  0.10000E+01 volume  0.85300E+00 ppm1      2.783 ppm2      7.929
 ASSI (
   (( segid "    " and resid 81   and name HB2 ))
 )(
   (( segid "    " and resid 83   and name HN  ))
 )
      5.000     5.000     0.000 peak  6873 weight  0.10000E+01 volume  0.11450E+01 ppm1      2.783 ppm2      7.912
 ASSI (
   (( segid "    " and resid 82   and name HB1 ))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      5.000     5.000     0.000 peak  5414 weight  0.10000E+01 volume  0.45100E+00 ppm1      1.961 ppm2      4.655
 ASSI (
   (( segid "    " and resid 82   and name HB1 ))
 )(
   (( segid "    " and resid 82   and name HB2 ))
 )
      3.300     3.300     0.000 peak  8937 weight  0.10000E+01 volume  0.24940E+01 ppm1      1.962 ppm2      1.653
 ASSI (
   (( segid "    " and resid 82   and name HB1 ))
 )(
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )
      5.000     5.000     0.000 peak  5710 weight  0.10000E+01 volume  0.75100E+00 ppm1      1.964 ppm2      0.879
 ASSI (
   (( segid "    " and resid 82   and name HB1 ))
 )(
   (( segid "    " and resid 82   and name HN  ))
 )
      5.000     5.000     0.000 peak  6541 weight  0.10000E+01 volume  0.34400E+00 ppm1      1.959 ppm2      7.923
 ASSI (
   (( segid "    " and resid 82   and name HB1 ))
 )(
   (( segid "    " and resid 115  and name HZ2 ))
 )
      6.000     6.000     0.000 peak  4558 weight  0.10000E+01 volume  0.21900E+00 ppm1      1.962 ppm2      7.169
 ASSI (
   (( segid "    " and resid 82   and name HB2 ))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      5.000     5.000     0.000 peak  5415 weight  0.10000E+01 volume  0.34800E+00 ppm1      1.638 ppm2      4.657
 ASSI (
   (( segid "    " and resid 82   and name HB2 ))
 )(
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )
      3.300     3.300     0.000 peak  8941 weight  0.10000E+01 volume  0.15930E+01 ppm1      1.643 ppm2      0.985
 ASSI (
   (( segid "    " and resid 82   and name HB2 ))
 )(
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )
      5.000     5.000     0.000 peak  8940 weight  0.10000E+01 volume  0.75300E+00 ppm1      1.643 ppm2      0.877
 ASSI (
   (( segid "    " and resid 82   and name HB2 ))
 )(
   (( segid "    " and resid 83   and name HN  ))
 )
      5.000     5.000     0.000 peak  6870 weight  0.10000E+01 volume  0.41900E+00 ppm1      1.638 ppm2      7.926
 ASSI (
   (( segid "    " and resid 82   and name HB2 ))
 )(
   (( segid "    " and resid 115  and name HZ2 ))
 )
      6.000     6.000     0.000 peak  8935 weight  0.10000E+01 volume  0.18500E+00 ppm1      1.648 ppm2      7.168
 ASSI (
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )(
   (( segid "    " and resid 66   and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8953 weight  0.10000E+01 volume  0.29500E+00 ppm1      0.969 ppm2      3.235
 ASSI (
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )(
   (( segid "    " and resid 68   and name HD2 ))
 )
      5.000     5.000     0.000 peak  5702 weight  0.10000E+01 volume  0.43200E+00 ppm1      0.968 ppm2      2.480
 ASSI (
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )(
   (( segid "    " and resid 80   and name HN  ))
 )
      5.000     5.000     0.000 peak  6048 weight  0.10000E+01 volume  0.42100E+00 ppm1      0.967 ppm2      8.945
 ASSI (
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      5.000     5.000     0.000 peak  5704 weight  0.10000E+01 volume  0.56100E+00 ppm1      0.969 ppm2      4.650
 ASSI (
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )(
   (( segid "    " and resid 82   and name HB1 ))
 )
      3.300     3.300     0.000 peak  8956 weight  0.10000E+01 volume  0.16710E+01 ppm1      0.972 ppm2      1.962
 ASSI (
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )(
   (( segid "    " and resid 82   and name HG  ))
 )
      2.700     2.700     0.000 peak  8957 weight  0.10000E+01 volume  0.40850E+01 ppm1      0.969 ppm2      1.670
 ASSI (
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )(
   (( segid "    " and resid 82   and name HN  ))
 )
      5.000     5.000     0.000 peak  6850 weight  0.10000E+01 volume  0.40000E+00 ppm1      0.970 ppm2      7.930
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 67   and name HB2 ))
 )
      6.000     6.000     0.000 peak  8968 weight  0.10000E+01 volume  0.26500E+00 ppm1      0.874 ppm2      2.987
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 67   and name HN  ))
 )
      6.000     6.000     0.000 peak  8958 weight  0.10000E+01 volume  0.12800E+00 ppm1      0.873 ppm2      8.944
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 81   and name HB2 ))
 )
      6.000     6.000     0.000 peak  8969 weight  0.10000E+01 volume  0.11200E+00 ppm1      0.875 ppm2      2.797
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      3.300     3.300     0.000 peak  5711 weight  0.10000E+01 volume  0.25180E+01 ppm1      0.874 ppm2      4.658
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 82   and name HN  ))
 )
      5.000     5.000     0.000 peak  6848 weight  0.10000E+01 volume  0.78300E+00 ppm1      0.874 ppm2      7.929
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 83   and name HN  ))
 )
      5.000     5.000     0.000 peak  6867 weight  0.10000E+01 volume  0.47900E+00 ppm1      0.874 ppm2      7.910
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      5.000     5.000     0.000 peak  5705 weight  0.10000E+01 volume  0.41800E+00 ppm1      0.873 ppm2     -0.605
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 115  and name HH2 ))
 )
      5.000     5.000     0.000 peak  8963 weight  0.10000E+01 volume  0.12570E+01 ppm1      0.874 ppm2      6.786
 ASSI (
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )(
   (( segid "    " and resid 115  and name HZ2 ))
 )
      3.300     3.300     0.000 peak  8961 weight  0.10000E+01 volume  0.17210E+01 ppm1      0.874 ppm2      7.162
 ASSI (
   (( segid "    " and resid 82   and name HG  ))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      5.000     5.000     0.000 peak  5699 weight  0.10000E+01 volume  0.72200E+00 ppm1      1.658 ppm2      4.646
 ASSI (
   (( segid "    " and resid 82   and name HG  ))
 )(
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )
      3.300     3.300     0.000 peak  8943 weight  0.10000E+01 volume  0.24300E+01 ppm1      1.661 ppm2      0.887
 ASSI (
   (( segid "    " and resid 82   and name HG  ))
 )(
   (( segid "    " and resid 82   and name HN  ))
 )
      5.000     5.000     0.000 peak  6852 weight  0.10000E+01 volume  0.79300E+00 ppm1      1.661 ppm2      7.936
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 64   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5054 weight  0.10000E+01 volume  0.92600E+00 ppm1      4.243 ppm2      1.415
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 65   and name HN  ))
 )
      5.000     5.000     0.000 peak  6643 weight  0.10000E+01 volume  0.75000E+00 ppm1      4.242 ppm2      8.555
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 83   and name HB2 ))
  OR 
   (( segid "    " and resid 83   and name HB1 ))
 )
      3.300     3.300     0.000 peak  8973 weight  0.10000E+01 volume  0.15660E+01 ppm1      4.242 ppm2      3.741
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 83   and name HN  ))
 )
      5.000     5.000     0.000 peak  6881 weight  0.10000E+01 volume  0.57600E+00 ppm1      4.242 ppm2      7.912
 ASSI (
   (( segid "    " and resid 83   and name HA  ))
 )(
   (( segid "    " and resid 84   and name HN  ))
 )
      3.300     3.300     0.000 peak  8972 weight  0.10000E+01 volume  0.15830E+01 ppm1      4.243 ppm2      8.172
 ASSI (
   (( segid "    " and resid 83   and name HB2 ))
  OR 
   (( segid "    " and resid 83   and name HB1 ))
 )(
   (( segid "    " and resid 82   and name HN  ))
 )
      5.000     5.000     0.000 peak  6859 weight  0.10000E+01 volume  0.10580E+01 ppm1      3.733 ppm2      7.929
 ASSI (
   (( segid "    " and resid 83   and name HB2 ))
  OR 
   (( segid "    " and resid 83   and name HB1 ))
 )(
   (( segid "    " and resid 83   and name HG  ))
 )
      5.000     5.000     0.000 peak  8975 weight  0.10000E+01 volume  0.86400E+00 ppm1      3.735 ppm2      4.629
 ASSI (
   (( segid "    " and resid 83   and name HB2 ))
  OR 
   (( segid "    " and resid 83   and name HB1 ))
 )(
   (( segid "    " and resid 84   and name HN  ))
 )
      5.000     5.000     0.000 peak  6894 weight  0.10000E+01 volume  0.96100E+00 ppm1      3.734 ppm2      8.156
 ASSI (
   (( segid "    " and resid 84   and name HA  ))
 )(
   (( segid "    " and resid 84   and name HB1 ))
 )
      5.000     5.000     0.000 peak  8980 weight  0.10000E+01 volume  0.55900E+00 ppm1      3.603 ppm2      2.760
 ASSI (
   (( segid "    " and resid 84   and name HA  ))
 )(
   (( segid "    " and resid 84   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8983 weight  0.10000E+01 volume  0.41600E+00 ppm1      3.604 ppm2      2.504
 ASSI (
   (( segid "    " and resid 84   and name HA  ))
 )(
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8979 weight  0.10000E+01 volume  0.49100E+00 ppm1      3.604 ppm2      6.720
 ASSI (
   (( segid "    " and resid 84   and name HA  ))
 )(
   (( segid "    " and resid 84   and name HN  ))
 )
      5.000     5.000     0.000 peak  6892 weight  0.10000E+01 volume  0.34400E+00 ppm1      3.602 ppm2      8.160
 ASSI (
   (( segid "    " and resid 84   and name HA  ))
 )(
   (( segid "    " and resid 106  and name HB1 ))
 )
      5.000     5.000     0.000 peak  8981 weight  0.10000E+01 volume  0.34300E+00 ppm1      3.604 ppm2      2.617
 ASSI (
   (( segid "    " and resid 84   and name HA  ))
 )(
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )
      6.000     6.000     0.000 peak  5061 weight  0.10000E+01 volume  0.21600E+00 ppm1      3.603 ppm2      0.512
 ASSI (
   (( segid "    " and resid 84   and name HB1 ))
 )(
   (( segid "    " and resid 84   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8989 weight  0.10000E+01 volume  0.14780E+01 ppm1      2.750 ppm2      2.493
 ASSI (
   (( segid "    " and resid 84   and name HB1 ))
 )(
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7423 weight  0.10000E+01 volume  0.45100E+00 ppm1      2.753 ppm2      6.721
 ASSI (
   (( segid "    " and resid 84   and name HB1 ))
 )(
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )
      5.000     5.000     0.000 peak  5421 weight  0.10000E+01 volume  0.36500E+00 ppm1      2.752 ppm2      0.516
 ASSI (
   (( segid "    " and resid 84   and name HB2 ))
 )(
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7422 weight  0.10000E+01 volume  0.52100E+00 ppm1      2.494 ppm2      6.720
 ASSI (
   (( segid "    " and resid 84   and name HB2 ))
 )(
   (( segid "    " and resid 84   and name HN  ))
 )
      5.000     5.000     0.000 peak  8985 weight  0.10000E+01 volume  0.60900E+00 ppm1      2.496 ppm2      8.161
 ASSI (
   (( segid "    " and resid 84   and name HB2 ))
 )(
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )
      6.000     6.000     0.000 peak  8990 weight  0.10000E+01 volume  0.23600E+00 ppm1      2.490 ppm2      0.519
 ASSI (
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )(
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  8172 weight  0.10000E+01 volume  0.60200E+00 ppm1      6.707 ppm2      0.518
 ASSI (
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )(
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
 )
      5.000     5.000     0.000 peak  8185 weight  0.10000E+01 volume  0.44500E+00 ppm1      6.706 ppm2      0.562
 ASSI (
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )(
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )
      2.700     2.700     0.000 peak  7429 weight  0.10000E+01 volume  0.38270E+01 ppm1      6.709 ppm2      7.348
 ASSI (
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )(
   (( segid "    " and resid 86   and name HN  ))
 )
      6.000     6.000     0.000 peak  8992 weight  0.10000E+01 volume  0.26100E+00 ppm1      6.708 ppm2      8.356
 ASSI (
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )(
   (( segid "    " and resid 107  and name HA  ))
 )
      5.000     5.000     0.000 peak  8993 weight  0.10000E+01 volume  0.49200E+00 ppm1      6.708 ppm2      4.935
 ASSI (
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )(
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      6.000     6.000     0.000 peak  8170 weight  0.10000E+01 volume  0.19800E+00 ppm1      7.345 ppm2      0.536
 ASSI (
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )(
   (( segid "    " and resid 107  and name HA  ))
 )
      5.000     5.000     0.000 peak  8995 weight  0.10000E+01 volume  0.58700E+00 ppm1      7.346 ppm2      4.939
 ASSI (
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )(
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )
      5.000     5.000     0.000 peak  8998 weight  0.10000E+01 volume  0.62300E+00 ppm1      7.345 ppm2      0.712
 ASSI (
   (( segid "    " and resid 85   and name HA1 ))
 )(
   (( segid "    " and resid 85   and name HA2 ))
 )
      2.700     2.700     0.000 peak  9002 weight  0.10000E+01 volume  0.44890E+01 ppm1      3.871 ppm2      3.030
 ASSI (
   (( segid "    " and resid 85   and name HA1 ))
 )(
   (( segid "    " and resid 86   and name HN  ))
 )
      5.000     5.000     0.000 peak  9000 weight  0.10000E+01 volume  0.30600E+00 ppm1      3.875 ppm2      8.341
 ASSI (
   (( segid "    " and resid 85   and name HA2 ))
 )(
   (( segid "    " and resid 85   and name HN  ))
 )
      5.000     5.000     0.000 peak  6258 weight  0.10000E+01 volume  0.85800E+00 ppm1      3.015 ppm2      8.548
 ASSI (
   (( segid "    " and resid 85   and name HA2 ))
 )(
   (( segid "    " and resid 86   and name HN  ))
 )
      6.000     6.000     0.000 peak  9001 weight  0.10000E+01 volume  0.27400E+00 ppm1      3.019 ppm2      8.339
 ASSI (
   (( segid "    " and resid 86   and name HA  ))
 )(
   (( segid "    " and resid 86   and name HB2 ))
  OR 
   (( segid "    " and resid 86   and name HB1 ))
 )
      2.700     2.700     0.000 peak  9004 weight  0.10000E+01 volume  0.31430E+01 ppm1      4.361 ppm2      3.972
 ASSI (
   (( segid "    " and resid 86   and name HA  ))
 )(
   (( segid "    " and resid 87   and name HA  ))
 )
      5.000     5.000     0.000 peak  5066 weight  0.10000E+01 volume  0.33800E+00 ppm1      4.354 ppm2      5.555
 ASSI (
   (( segid "    " and resid 86   and name HA  ))
 )(
   (( segid "    " and resid 87   and name HN  ))
 )
      2.700     2.700     0.000 peak  6917 weight  0.10000E+01 volume  0.35550E+01 ppm1      4.362 ppm2      8.712
 ASSI (
   (( segid "    " and resid 87   and name HA  ))
 )(
   (( segid "    " and resid 87   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9010 weight  0.10000E+01 volume  0.56000E+00 ppm1      5.551 ppm2      1.999
 ASSI (
   (( segid "    " and resid 87   and name HA  ))
 )(
   (( segid "    " and resid 87   and name HB2 ))
 )
      5.000     5.000     0.000 peak  9011 weight  0.10000E+01 volume  0.64100E+00 ppm1      5.549 ppm2      1.893
 ASSI (
   (( segid "    " and resid 87   and name HA  ))
 )(
   (( segid "    " and resid 87   and name HG1 ))
 )
      5.000     5.000     0.000 peak  9009 weight  0.10000E+01 volume  0.43000E+00 ppm1      5.550 ppm2      2.201
 ASSI (
   (( segid "    " and resid 87   and name HA  ))
 )(
   (( segid "    " and resid 87   and name HN  ))
 )
      5.000     5.000     0.000 peak  9006 weight  0.10000E+01 volume  0.43200E+00 ppm1      5.550 ppm2      8.716
 ASSI (
   (( segid "    " and resid 87   and name HA  ))
 )(
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )
      5.000     5.000     0.000 peak  5069 weight  0.10000E+01 volume  0.30700E+00 ppm1      5.550 ppm2      0.467
 ASSI (
   (( segid "    " and resid 87   and name HA  ))
 )(
   (( segid "    " and resid 88   and name HN  ))
 )
      3.300     3.300     0.000 peak  5215 weight  0.10000E+01 volume  0.18630E+01 ppm1      5.549 ppm2      8.811
 ASSI (
   (( segid "    " and resid 87   and name HA  ))
 )(
   (( segid "    " and resid 115  and name HZ3 ))
 )
      5.000     5.000     0.000 peak  9008 weight  0.10000E+01 volume  0.43100E+00 ppm1      5.553 ppm2      6.842
 ASSI (
   (( segid "    " and resid 87   and name HB1 ))
 )(
   (( segid "    " and resid 87   and name HN  ))
 )
      5.000     5.000     0.000 peak  9015 weight  0.10000E+01 volume  0.56100E+00 ppm1      1.978 ppm2      8.710
 ASSI (
   (( segid "    " and resid 87   and name HB1 ))
 )(
   (( segid "    " and resid 88   and name HN  ))
 )
      5.000     5.000     0.000 peak  9013 weight  0.10000E+01 volume  0.10390E+01 ppm1      1.982 ppm2      8.804
 ASSI (
   (( segid "    " and resid 87   and name HG1 ))
 )(
   (( segid "    " and resid 87   and name HE21))
 )
      5.000     5.000     0.000 peak  9020 weight  0.10000E+01 volume  0.14070E+01 ppm1      2.213 ppm2      7.538
 ASSI (
   (( segid "    " and resid 87   and name HG1 ))
 )(
   (( segid "    " and resid 87   and name HE22))
 )
      5.000     5.000     0.000 peak  9023 weight  0.10000E+01 volume  0.79500E+00 ppm1      2.213 ppm2      6.805
 ASSI (
   (( segid "    " and resid 87   and name HG1 ))
 )(
   (( segid "    " and resid 88   and name HN  ))
 )
      5.000     5.000     0.000 peak  9018 weight  0.10000E+01 volume  0.11250E+01 ppm1      2.212 ppm2      8.807
 ASSI (
   (( segid "    " and resid 87   and name HG1 ))
 )(
   (( segid "    " and resid 104  and name HN  ))
 )
      5.000     5.000     0.000 peak  7172 weight  0.10000E+01 volume  0.43700E+00 ppm1      2.207 ppm2      8.053
 ASSI (
   (( segid "    " and resid 87   and name HG2 ))
 )(
   (( segid "    " and resid 87   and name HA  ))
 )
      5.000     5.000     0.000 peak  9027 weight  0.10000E+01 volume  0.10290E+01 ppm1      2.155 ppm2      5.568
 ASSI (
   (( segid "    " and resid 87   and name HG2 ))
 )(
   (( segid "    " and resid 87   and name HE22))
 )
      5.000     5.000     0.000 peak  9025 weight  0.10000E+01 volume  0.79500E+00 ppm1      2.155 ppm2      6.804
 ASSI (
   (( segid "    " and resid 87   and name HG2 ))
 )(
   (( segid "    " and resid 88   and name HN  ))
 )
      5.000     5.000     0.000 peak  9019 weight  0.10000E+01 volume  0.92500E+00 ppm1      2.155 ppm2      8.807
 ASSI (
   (( segid "    " and resid 87   and name HG2 ))
 )(
   (( segid "    " and resid 104  and name HN  ))
 )
      5.000     5.000     0.000 peak  7173 weight  0.10000E+01 volume  0.59400E+00 ppm1      2.155 ppm2      8.053
 ASSI (
   (( segid "    " and resid 88   and name HA  ))
 )(
   (( segid "    " and resid 89   and name HN  ))
 )
      5.000     5.000     0.000 peak  8055 weight  0.10000E+01 volume  0.38400E+00 ppm1      4.700 ppm2      7.818
 ASSI (
   (( segid "    " and resid 88   and name HB  ))
 )(
   (( segid "    " and resid 88   and name HA  ))
 )
      5.000     5.000     0.000 peak  5427 weight  0.10000E+01 volume  0.80300E+00 ppm1      1.154 ppm2      4.714
 ASSI (
   (( segid "    " and resid 88   and name HB  ))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      5.000     5.000     0.000 peak  9043 weight  0.10000E+01 volume  0.69900E+00 ppm1      1.158 ppm2     -0.604
 ASSI (
   (( segid "    " and resid 88   and name HB  ))
 )(
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )
      2.700     2.700     0.000 peak  9042 weight  0.10000E+01 volume  0.32230E+01 ppm1      1.159 ppm2      0.497
 ASSI (
   (( segid "    " and resid 88   and name HB  ))
 )(
   (( segid "    " and resid 89   and name HN  ))
 )
      5.000     5.000     0.000 peak  9041 weight  0.10000E+01 volume  0.68500E+00 ppm1      1.157 ppm2      7.815
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 68   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9076 weight  0.10000E+01 volume  0.34900E+00 ppm1     -0.619 ppm2      1.672
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 68   and name HB2 ))
 )
      5.000     5.000     0.000 peak  9077 weight  0.10000E+01 volume  0.40600E+00 ppm1     -0.618 ppm2      1.329
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 68   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9074 weight  0.10000E+01 volume  0.19900E+00 ppm1     -0.620 ppm2      3.211
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 68   and name HD2 ))
 )
      6.000     6.000     0.000 peak  9075 weight  0.10000E+01 volume  0.21300E+00 ppm1     -0.620 ppm2      2.471
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      5.000     5.000     0.000 peak  5634 weight  0.10000E+01 volume  0.94400E+00 ppm1     -0.617 ppm2      0.686
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 87   and name HA  ))
 )
      6.000     6.000     0.000 peak  9070 weight  0.10000E+01 volume  0.88000E-01 ppm1     -0.621 ppm2      5.570
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 88   and name HA  ))
 )
      6.000     6.000     0.000 peak  9071 weight  0.10000E+01 volume  0.19300E+00 ppm1     -0.621 ppm2      4.701
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 88   and name HG12))
 )
      5.000     5.000     0.000 peak  9080 weight  0.10000E+01 volume  0.12110E+01 ppm1     -0.619 ppm2      0.261
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )
      2.700     2.700     0.000 peak  8825 weight  0.10000E+01 volume  0.52230E+01 ppm1     -0.621 ppm2      0.491
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 89   and name HN  ))
 )
      6.000     6.000     0.000 peak  9061 weight  0.10000E+01 volume  0.17300E+00 ppm1     -0.621 ppm2      7.821
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9065 weight  0.10000E+01 volume  0.26200E+00 ppm1     -0.620 ppm2      7.024
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9069 weight  0.10000E+01 volume  0.12070E+01 ppm1     -0.620 ppm2      6.675
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 90   and name HZ  ))
 )
      3.300     3.300     0.000 peak  9066 weight  0.10000E+01 volume  0.17620E+01 ppm1     -0.619 ppm2      6.724
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 104  and name HB1 ))
 )
      5.000     5.000     0.000 peak  5316 weight  0.10000E+01 volume  0.30400E+00 ppm1     -0.620 ppm2      3.888
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 104  and name HB2 ))
 )
      5.000     5.000     0.000 peak  5314 weight  0.10000E+01 volume  0.50400E+00 ppm1     -0.621 ppm2      3.472
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 104  and name HN  ))
 )
      6.000     6.000     0.000 peak  7166 weight  0.10000E+01 volume  0.15700E+00 ppm1     -0.621 ppm2      8.055
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 115  and name HE1 ))
 )
      6.000     6.000     0.000 peak  9059 weight  0.10000E+01 volume  0.89000E-01 ppm1     -0.619 ppm2     10.496
 ASSI (
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )(
   (( segid "    " and resid 115  and name HZ2 ))
 )
      6.000     6.000     0.000 peak  9064 weight  0.10000E+01 volume  0.21600E+00 ppm1     -0.620 ppm2      7.177
 ASSI (
   (( segid "    " and resid 88   and name HG11))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      5.000     5.000     0.000 peak  9044 weight  0.10000E+01 volume  0.74800E+00 ppm1      0.423 ppm2     -0.607
 ASSI (
   (( segid "    " and resid 88   and name HG11))
 )(
   (( segid "    " and resid 88   and name HN  ))
 )
      5.000     5.000     0.000 peak  6927 weight  0.10000E+01 volume  0.13010E+01 ppm1      0.424 ppm2      8.806
 ASSI (
   (( segid "    " and resid 88   and name HG12))
 )(
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )
      5.000     5.000     0.000 peak  5666 weight  0.10000E+01 volume  0.11260E+01 ppm1      0.241 ppm2      0.450
 ASSI (
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )(
   (( segid "    " and resid 78   and name HA  ))
 )
      5.000     5.000     0.000 peak  5050 weight  0.10000E+01 volume  0.10960E+01 ppm1      0.484 ppm2      4.060
 ASSI (
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )(
   (( segid "    " and resid 87   and name HE22))
 )
      5.000     5.000     0.000 peak  9050 weight  0.10000E+01 volume  0.11590E+01 ppm1      0.483 ppm2      6.791
 ASSI (
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )(
   (( segid "    " and resid 88   and name HA  ))
 )
      3.300     3.300     0.000 peak  9051 weight  0.10000E+01 volume  0.17620E+01 ppm1      0.482 ppm2      4.699
 ASSI (
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      3.300     3.300     0.000 peak  9058 weight  0.10000E+01 volume  0.22350E+01 ppm1      0.484 ppm2     -0.604
 ASSI (
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )(
   (( segid "    " and resid 88   and name HN  ))
 )
      5.000     5.000     0.000 peak  9046 weight  0.10000E+01 volume  0.52900E+00 ppm1      0.484 ppm2      8.815
 ASSI (
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )(
   (( segid "    " and resid 89   and name HN  ))
 )
      5.000     5.000     0.000 peak  5828 weight  0.10000E+01 volume  0.96800E+00 ppm1      0.484 ppm2      7.831
 ASSI (
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )(
   (( segid "    " and resid 115  and name HZ2 ))
 )
      6.000     6.000     0.000 peak  9048 weight  0.10000E+01 volume  0.29800E+00 ppm1      0.483 ppm2      7.167
 ASSI (
   (( segid "    " and resid 89   and name HA  ))
 )(
   (( segid "    " and resid 89   and name HN  ))
 )
      5.000     5.000     0.000 peak  9082 weight  0.10000E+01 volume  0.41700E+00 ppm1      4.792 ppm2      7.819
 ASSI (
   (( segid "    " and resid 89   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HN  ))
 )
      3.300     3.300     0.000 peak  9081 weight  0.10000E+01 volume  0.22490E+01 ppm1      4.793 ppm2      8.382
 ASSI (
   (( segid "    " and resid 89   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HZ  ))
 )
      6.000     6.000     0.000 peak  9083 weight  0.10000E+01 volume  0.16600E+00 ppm1      4.791 ppm2      6.718
 ASSI (
   (( segid "    " and resid 89   and name HB1 ))
 )(
   (( segid "    " and resid 89   and name HA  ))
 )
      5.000     5.000     0.000 peak  9088 weight  0.10000E+01 volume  0.12390E+01 ppm1      1.919 ppm2      4.794
 ASSI (
   (( segid "    " and resid 89   and name HB1 ))
 )(
   (( segid "    " and resid 89   and name HN  ))
 )
      3.300     3.300     0.000 peak  9086 weight  0.10000E+01 volume  0.22710E+01 ppm1      1.920 ppm2      7.819
 ASSI (
   (( segid "    " and resid 89   and name HB1 ))
 )(
   (( segid "    " and resid 90   and name HN  ))
 )
      3.300     3.300     0.000 peak  9084 weight  0.10000E+01 volume  0.22620E+01 ppm1      1.922 ppm2      8.381
 ASSI (
   (( segid "    " and resid 89   and name HB2 ))
 )(
   (( segid "    " and resid 89   and name HA  ))
 )
      5.000     5.000     0.000 peak  9089 weight  0.10000E+01 volume  0.63500E+00 ppm1      1.680 ppm2      4.794
 ASSI (
   (( segid "    " and resid 89   and name HB2 ))
 )(
   (( segid "    " and resid 89   and name HN  ))
 )
      5.000     5.000     0.000 peak  9087 weight  0.10000E+01 volume  0.50500E+00 ppm1      1.684 ppm2      7.817
 ASSI (
   (( segid "    " and resid 89   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HN  ))
 )
      5.000     5.000     0.000 peak  9085 weight  0.10000E+01 volume  0.43900E+00 ppm1      1.678 ppm2      8.380
 ASSI (
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HG1 ))
 )(
   (( segid "    " and resid 87   and name HE21))
 )
      5.000     5.000     0.000 peak  9092 weight  0.10000E+01 volume  0.62600E+00 ppm1      2.122 ppm2      7.538
 ASSI (
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HG1 ))
 )(
   (( segid "    " and resid 89   and name HA  ))
 )
      5.000     5.000     0.000 peak  9093 weight  0.10000E+01 volume  0.95400E+00 ppm1      2.122 ppm2      4.793
 ASSI (
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HG1 ))
 )(
   (( segid "    " and resid 89   and name HN  ))
 )
      5.000     5.000     0.000 peak  9091 weight  0.10000E+01 volume  0.79900E+00 ppm1      2.122 ppm2      7.819
 ASSI (
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HG1 ))
 )(
   (( segid "    " and resid 103  and name HG23))
  OR 
   (( segid "    " and resid 103  and name HG22))
  OR 
   (( segid "    " and resid 103  and name HG21))
 )
      3.300     3.300     0.000 peak  5713 weight  0.10000E+01 volume  0.15930E+01 ppm1      2.122 ppm2      1.069
 ASSI (
   (( segid "    " and resid 89   and name HG2 ))
 )(
   (( segid "    " and resid 90   and name HN  ))
 )
      5.000     5.000     0.000 peak  9090 weight  0.10000E+01 volume  0.90100E+00 ppm1      2.120 ppm2      8.380
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 71   and name HG  ))
 )
      6.000     6.000     0.000 peak  5074 weight  0.10000E+01 volume  0.21300E+00 ppm1      5.402 ppm2      0.991
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 89   and name HG2 ))
 )
      6.000     6.000     0.000 peak  5073 weight  0.10000E+01 volume  0.15400E+00 ppm1      5.402 ppm2      2.103
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9095 weight  0.10000E+01 volume  0.61000E+00 ppm1      5.404 ppm2      2.775
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HB2 ))
 )
      5.000     5.000     0.000 peak  9096 weight  0.10000E+01 volume  0.41800E+00 ppm1      5.401 ppm2      2.543
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9094 weight  0.10000E+01 volume  0.80400E+00 ppm1      5.402 ppm2      7.024
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 90   and name HN  ))
 )
      5.000     5.000     0.000 peak  5717 weight  0.10000E+01 volume  0.30600E+00 ppm1      5.402 ppm2      8.389
 ASSI (
   (( segid "    " and resid 90   and name HA  ))
 )(
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )
      5.000     5.000     0.000 peak  5078 weight  0.10000E+01 volume  0.56000E+00 ppm1      5.402 ppm2      0.636
 ASSI (
   (( segid "    " and resid 90   and name HB1 ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7432 weight  0.10000E+01 volume  0.74800E+00 ppm1      2.767 ppm2      7.022
 ASSI (
   (( segid "    " and resid 90   and name HB1 ))
 )(
   (( segid "    " and resid 90   and name HN  ))
 )
      6.000     6.000     0.000 peak  9097 weight  0.10000E+01 volume  0.19500E+00 ppm1      2.765 ppm2      8.383
 ASSI (
   (( segid "    " and resid 90   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HB1 ))
 )
      3.300     3.300     0.000 peak  9103 weight  0.10000E+01 volume  0.15390E+01 ppm1      2.537 ppm2      2.781
 ASSI (
   (( segid "    " and resid 90   and name HB2 ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7433 weight  0.10000E+01 volume  0.89400E+00 ppm1      2.535 ppm2      7.021
 ASSI (
   (( segid "    " and resid 90   and name HB2 ))
 )(
   (( segid "    " and resid 102  and name HA  ))
 )
      5.000     5.000     0.000 peak  5095 weight  0.10000E+01 volume  0.30400E+00 ppm1      2.537 ppm2      4.296
 ASSI (
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )(
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
 )
      5.000     5.000     0.000 peak  8809 weight  0.10000E+01 volume  0.50800E+00 ppm1      7.011 ppm2      0.995
 ASSI (
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )(
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7437 weight  0.10000E+01 volume  0.10310E+01 ppm1      7.011 ppm2      6.694
 ASSI (
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7476 weight  0.10000E+01 volume  0.13730E+01 ppm1      6.673 ppm2      7.025
 ASSI (
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )(
   (( segid "    " and resid 104  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9108 weight  0.10000E+01 volume  0.40300E+00 ppm1      6.673 ppm2      3.879
 ASSI (
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )(
   (( segid "    " and resid 104  and name HB2 ))
 )
      5.000     5.000     0.000 peak  9110 weight  0.10000E+01 volume  0.34400E+00 ppm1      6.672 ppm2      3.466
 ASSI (
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )(
   (( segid "    " and resid 120  and name HD1 ))
 )
      6.000     6.000     0.000 peak  9114 weight  0.10000E+01 volume  0.18600E+00 ppm1      6.672 ppm2      2.188
 ASSI (
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )(
   (( segid "    " and resid 120  and name HD2 ))
 )
      5.000     5.000     0.000 peak  9113 weight  0.10000E+01 volume  0.37000E+00 ppm1      6.673 ppm2      2.045
 ASSI (
   (( segid "    " and resid 90   and name HZ  ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      5.000     5.000     0.000 peak  9116 weight  0.10000E+01 volume  0.30900E+00 ppm1      6.722 ppm2      0.484
 ASSI (
   (( segid "    " and resid 90   and name HZ  ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      6.000     6.000     0.000 peak  7484 weight  0.10000E+01 volume  0.27400E+00 ppm1      6.723 ppm2      7.023
 ASSI (
   (( segid "    " and resid 91   and name HB2 ))
  OR 
   (( segid "    " and resid 91   and name HB1 ))
 )(
   (( segid "    " and resid 91   and name HA  ))
 )
      3.300     3.300     0.000 peak  5079 weight  0.10000E+01 volume  0.22190E+01 ppm1      3.766 ppm2      4.512
 ASSI (
   (( segid "    " and resid 91   and name HB2 ))
  OR 
   (( segid "    " and resid 91   and name HB1 ))
 )(
   (( segid "    " and resid 91   and name HG  ))
 )
      5.000     5.000     0.000 peak  9117 weight  0.10000E+01 volume  0.30800E+00 ppm1      3.766 ppm2      4.645
 ASSI (
   (( segid "    " and resid 91   and name HB2 ))
  OR 
   (( segid "    " and resid 91   and name HB1 ))
 )(
   (( segid "    " and resid 91   and name HN  ))
 )
      5.000     5.000     0.000 peak  6957 weight  0.10000E+01 volume  0.38800E+00 ppm1      3.765 ppm2      8.249
 ASSI (
   (( segid "    " and resid 92   and name HA  ))
 )(
   (( segid "    " and resid 92   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9122 weight  0.10000E+01 volume  0.71100E+00 ppm1      5.250 ppm2      2.959
 ASSI (
   (( segid "    " and resid 92   and name HA  ))
 )(
   (( segid "    " and resid 92   and name HB2 ))
 )
      5.000     5.000     0.000 peak  9123 weight  0.10000E+01 volume  0.13170E+01 ppm1      5.254 ppm2      2.439
 ASSI (
   (( segid "    " and resid 92   and name HA  ))
 )(
   (( segid "    " and resid 92   and name HN  ))
 )
      5.000     5.000     0.000 peak  6982 weight  0.10000E+01 volume  0.59200E+00 ppm1      5.251 ppm2      8.715
 ASSI (
   (( segid "    " and resid 92   and name HA  ))
 )(
   (( segid "    " and resid 93   and name HB2 ))
 )
      6.000     6.000     0.000 peak  9119 weight  0.10000E+01 volume  0.21500E+00 ppm1      5.248 ppm2      3.536
 ASSI (
   (( segid "    " and resid 92   and name HA  ))
 )(
   (( segid "    " and resid 93   and name HN  ))
 )
      3.300     3.300     0.000 peak  7003 weight  0.10000E+01 volume  0.16370E+01 ppm1      5.249 ppm2      8.875
 ASSI (
   (( segid "    " and resid 92   and name HA  ))
 )(
   (( segid "    " and resid 96   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9120 weight  0.10000E+01 volume  0.43800E+00 ppm1      5.250 ppm2      3.223
 ASSI (
   (( segid "    " and resid 119  and name HA  ))
 )(
   (( segid "    " and resid 119  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9551 weight  0.10000E+01 volume  0.60500E+00 ppm1      3.349 ppm2      1.348
 ASSI (
   (( segid "    " and resid 92   and name HB1 ))
 )(
   (( segid "    " and resid 92   and name HN  ))
 )
      5.000     5.000     0.000 peak  6974 weight  0.10000E+01 volume  0.66700E+00 ppm1      2.951 ppm2      8.714
 ASSI (
   (( segid "    " and resid 92   and name HB1 ))
 )(
   (( segid "    " and resid 93   and name HN  ))
 )
      5.000     5.000     0.000 peak  6992 weight  0.10000E+01 volume  0.34000E+00 ppm1      2.952 ppm2      8.887
 ASSI (
   (( segid "    " and resid 92   and name HB2 ))
 )(
   (( segid "    " and resid 92   and name HN  ))
 )
      5.000     5.000     0.000 peak  6972 weight  0.10000E+01 volume  0.91800E+00 ppm1      2.422 ppm2      8.713
 ASSI (
   (( segid "    " and resid 92   and name HB2 ))
 )(
   (( segid "    " and resid 93   and name HN  ))
 )
      5.000     5.000     0.000 peak  6990 weight  0.10000E+01 volume  0.32800E+00 ppm1      2.420 ppm2      8.888
 ASSI (
   (( segid "    " and resid 92   and name HB2 ))
 )(
   (( segid "    " and resid 122  and name HN  ))
 )
      6.000     6.000     0.000 peak  7357 weight  0.10000E+01 volume  0.22900E+00 ppm1      2.422 ppm2      8.772
 ASSI (
   (( segid "    " and resid 93   and name HA  ))
 )(
   (( segid "    " and resid 93   and name HB1 ))
 )
      3.300     3.300     0.000 peak  9130 weight  0.10000E+01 volume  0.27580E+01 ppm1      4.279 ppm2      3.972
 ASSI (
   (( segid "    " and resid 93   and name HA  ))
 )(
   (( segid "    " and resid 93   and name HB2 ))
 )
      5.000     5.000     0.000 peak  9131 weight  0.10000E+01 volume  0.13000E+01 ppm1      4.278 ppm2      3.546
 ASSI (
   (( segid "    " and resid 93   and name HA  ))
 )(
   (( segid "    " and resid 93   and name HN  ))
 )
      5.000     5.000     0.000 peak  9129 weight  0.10000E+01 volume  0.97100E+00 ppm1      4.277 ppm2      8.898
 ASSI (
   (( segid "    " and resid 93   and name HA  ))
 )(
   (( segid "    " and resid 94   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5082 weight  0.10000E+01 volume  0.94100E+00 ppm1      4.280 ppm2      2.047
 ASSI (
   (( segid "    " and resid 93   and name HA  ))
 )(
   (( segid "    " and resid 94   and name HB2 ))
 )
      5.000     5.000     0.000 peak  9133 weight  0.10000E+01 volume  0.11120E+01 ppm1      4.279 ppm2      1.954
 ASSI (
   (( segid "    " and resid 93   and name HA  ))
 )(
   (( segid "    " and resid 94   and name HG2 ))
  OR 
   (( segid "    " and resid 94   and name HG1 ))
 )
      6.000     6.000     0.000 peak  9132 weight  0.10000E+01 volume  0.25100E+00 ppm1      4.279 ppm2      2.328
 ASSI (
   (( segid "    " and resid 93   and name HA  ))
 )(
   (( segid "    " and resid 94   and name HN  ))
 )
      2.700     2.700     0.000 peak  5918 weight  0.10000E+01 volume  0.55940E+01 ppm1      4.280 ppm2      8.432
 ASSI (
   (( segid "    " and resid 93   and name HB1 ))
 )(
   (( segid "    " and resid 92   and name HA  ))
 )
      6.000     6.000     0.000 peak  9140 weight  0.10000E+01 volume  0.14500E+00 ppm1      3.954 ppm2      5.266
 ASSI (
   (( segid "    " and resid 93   and name HB1 ))
 )(
   (( segid "    " and resid 93   and name HB2 ))
 )
      2.700     2.700     0.000 peak  9145 weight  0.10000E+01 volume  0.55250E+01 ppm1      3.952 ppm2      3.540
 ASSI (
   (( segid "    " and resid 93   and name HB1 ))
 )(
   (( segid "    " and resid 93   and name HN  ))
 )
      5.000     5.000     0.000 peak  9134 weight  0.10000E+01 volume  0.76400E+00 ppm1      3.953 ppm2      8.893
 ASSI (
   (( segid "    " and resid 93   and name HB1 ))
 )(
   (( segid "    " and resid 94   and name HN  ))
 )
      3.300     3.300     0.000 peak  9135 weight  0.10000E+01 volume  0.16650E+01 ppm1      3.953 ppm2      8.429
 ASSI (
   (( segid "    " and resid 93   and name HB1 ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9138 weight  0.10000E+01 volume  0.48800E+00 ppm1      3.954 ppm2      6.717
 ASSI (
   (( segid "    " and resid 93   and name HB1 ))
 )(
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )
      6.000     6.000     0.000 peak  9136 weight  0.10000E+01 volume  0.21600E+00 ppm1      3.953 ppm2      7.134
 ASSI (
   (( segid "    " and resid 93   and name HB2 ))
 )(
   (( segid "    " and resid 93   and name HN  ))
 )
      5.000     5.000     0.000 peak  6995 weight  0.10000E+01 volume  0.11170E+01 ppm1      3.529 ppm2      8.890
 ASSI (
   (( segid "    " and resid 93   and name HB2 ))
 )(
   (( segid "    " and resid 94   and name HN  ))
 )
      5.000     5.000     0.000 peak  7011 weight  0.10000E+01 volume  0.79900E+00 ppm1      3.526 ppm2      8.430
 ASSI (
   (( segid "    " and resid 93   and name HB2 ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9139 weight  0.10000E+01 volume  0.70000E+00 ppm1      3.526 ppm2      6.718
 ASSI (
   (( segid "    " and resid 93   and name HB2 ))
 )(
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )
      6.000     6.000     0.000 peak  9137 weight  0.10000E+01 volume  0.28100E+00 ppm1      3.525 ppm2      7.134
 ASSI (
   (( segid "    " and resid 94   and name HA  ))
 )(
   (( segid "    " and resid 94   and name HG2 ))
  OR 
   (( segid "    " and resid 94   and name HG1 ))
 )
      5.000     5.000     0.000 peak  9149 weight  0.10000E+01 volume  0.73500E+00 ppm1      4.130 ppm2      2.329
 ASSI (
   (( segid "    " and resid 94   and name HA  ))
 )(
   (( segid "    " and resid 94   and name HN  ))
 )
      5.000     5.000     0.000 peak  9147 weight  0.10000E+01 volume  0.69000E+00 ppm1      4.130 ppm2      8.438
 ASSI (
   (( segid "    " and resid 94   and name HA  ))
 )(
   (( segid "    " and resid 95   and name HA2 ))
 )
      5.000     5.000     0.000 peak  5083 weight  0.10000E+01 volume  0.35100E+00 ppm1      4.129 ppm2      3.424
 ASSI (
   (( segid "    " and resid 94   and name HA  ))
 )(
   (( segid "    " and resid 95   and name HN  ))
 )
      3.300     3.300     0.000 peak  9146 weight  0.10000E+01 volume  0.27610E+01 ppm1      4.130 ppm2      8.883
 ASSI (
   (( segid "    " and resid 94   and name HA  ))
 )(
   (( segid "    " and resid 96   and name HN  ))
 )
      5.000     5.000     0.000 peak  9148 weight  0.10000E+01 volume  0.54600E+00 ppm1      4.130 ppm2      8.172
 ASSI (
   (( segid "    " and resid 94   and name HB1 ))
 )(
   (( segid "    " and resid 93   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9160 weight  0.10000E+01 volume  0.34100E+00 ppm1      2.032 ppm2      3.972
 ASSI (
   (( segid "    " and resid 94   and name HB1 ))
 )(
   (( segid "    " and resid 94   and name HA  ))
 )
      3.300     3.300     0.000 peak  9156 weight  0.10000E+01 volume  0.23760E+01 ppm1      2.031 ppm2      4.133
 ASSI (
   (( segid "    " and resid 94   and name HB1 ))
 )(
   (( segid "    " and resid 94   and name HG2 ))
  OR 
   (( segid "    " and resid 94   and name HG1 ))
 )
      2.700     2.700     0.000 peak  9162 weight  0.10000E+01 volume  0.39080E+01 ppm1      2.032 ppm2      2.326
 ASSI (
   (( segid "    " and resid 94   and name HB1 ))
 )(
   (( segid "    " and resid 94   and name HN  ))
 )
      2.700     2.700     0.000 peak  9152 weight  0.10000E+01 volume  0.36160E+01 ppm1      2.031 ppm2      8.430
 ASSI (
   (( segid "    " and resid 94   and name HB1 ))
 )(
   (( segid "    " and resid 95   and name HN  ))
 )
      5.000     5.000     0.000 peak  7018 weight  0.10000E+01 volume  0.55000E+00 ppm1      2.030 ppm2      8.880
 ASSI (
   (( segid "    " and resid 94   and name HB2 ))
 )(
   (( segid "    " and resid 93   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9161 weight  0.10000E+01 volume  0.32200E+00 ppm1      1.939 ppm2      3.973
 ASSI (
   (( segid "    " and resid 94   and name HB2 ))
 )(
   (( segid "    " and resid 94   and name HA  ))
 )
      3.300     3.300     0.000 peak  9158 weight  0.10000E+01 volume  0.22860E+01 ppm1      1.938 ppm2      4.133
 ASSI (
   (( segid "    " and resid 94   and name HB2 ))
 )(
   (( segid "    " and resid 94   and name HG2 ))
  OR 
   (( segid "    " and resid 94   and name HG1 ))
 )
      2.700     2.700     0.000 peak  9163 weight  0.10000E+01 volume  0.38460E+01 ppm1      1.938 ppm2      2.326
 ASSI (
   (( segid "    " and resid 94   and name HB2 ))
 )(
   (( segid "    " and resid 94   and name HN  ))
 )
      2.700     2.700     0.000 peak  9153 weight  0.10000E+01 volume  0.35050E+01 ppm1      1.937 ppm2      8.430
 ASSI (
   (( segid "    " and resid 94   and name HB2 ))
 )(
   (( segid "    " and resid 95   and name HN  ))
 )
      5.000     5.000     0.000 peak  7017 weight  0.10000E+01 volume  0.50800E+00 ppm1      1.938 ppm2      8.880
 ASSI (
   (( segid "    " and resid 94   and name HG2 ))
  OR 
   (( segid "    " and resid 94   and name HG1 ))
 )(
   (( segid "    " and resid 93   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9168 weight  0.10000E+01 volume  0.38300E+00 ppm1      2.312 ppm2      3.972
 ASSI (
   (( segid "    " and resid 94   and name HG2 ))
  OR 
   (( segid "    " and resid 94   and name HG1 ))
 )(
   (( segid "    " and resid 94   and name HN  ))
 )
      5.000     5.000     0.000 peak  9164 weight  0.10000E+01 volume  0.64400E+00 ppm1      2.311 ppm2      8.432
 ASSI (
   (( segid "    " and resid 94   and name HG2 ))
  OR 
   (( segid "    " and resid 94   and name HG1 ))
 )(
   (( segid "    " and resid 95   and name HA2 ))
 )
      6.000     6.000     0.000 peak  9169 weight  0.10000E+01 volume  0.15700E+00 ppm1      2.312 ppm2      3.433
 ASSI (
   (( segid "    " and resid 94   and name HG2 ))
  OR 
   (( segid "    " and resid 94   and name HG1 ))
 )(
   (( segid "    " and resid 95   and name HN  ))
 )
      5.000     5.000     0.000 peak  7021 weight  0.10000E+01 volume  0.67700E+00 ppm1      2.311 ppm2      8.882
 ASSI (
   (( segid "    " and resid 95   and name HA1 ))
 )(
   (( segid "    " and resid 94   and name HG2 ))
  OR 
   (( segid "    " and resid 94   and name HG1 ))
 )
      6.000     6.000     0.000 peak  9174 weight  0.10000E+01 volume  0.16200E+00 ppm1      4.148 ppm2      2.327
 ASSI (
   (( segid "    " and resid 95   and name HA1 ))
 )(
   (( segid "    " and resid 95   and name HA2 ))
 )
      2.700     2.700     0.000 peak  9173 weight  0.10000E+01 volume  0.54750E+01 ppm1      4.148 ppm2      3.420
 ASSI (
   (( segid "    " and resid 95   and name HA1 ))
 )(
   (( segid "    " and resid 95   and name HN  ))
 )
      5.000     5.000     0.000 peak  7025 weight  0.10000E+01 volume  0.13310E+01 ppm1      4.150 ppm2      8.880
 ASSI (
   (( segid "    " and resid 95   and name HA1 ))
 )(
   (( segid "    " and resid 125  and name HB2 ))
  OR 
   (( segid "    " and resid 125  and name HB1 ))
 )
      6.000     6.000     0.000 peak  9178 weight  0.10000E+01 volume  0.13600E+00 ppm1      4.145 ppm2      1.293
 ASSI (
   (( segid "    " and resid 95   and name HA1 ))
 )(
   (( segid "    " and resid 125  and name HD13))
  OR 
   (( segid "    " and resid 125  and name HD12))
  OR 
   (( segid "    " and resid 125  and name HD11))
 )
      6.000     6.000     0.000 peak  9175 weight  0.10000E+01 volume  0.29500E+00 ppm1      4.149 ppm2      0.639
 ASSI (
   (( segid "    " and resid 95   and name HA2 ))
 )(
   (( segid "    " and resid 95   and name HN  ))
 )
      3.300     3.300     0.000 peak  7023 weight  0.10000E+01 volume  0.16050E+01 ppm1      3.407 ppm2      8.880
 ASSI (
   (( segid "    " and resid 95   and name HA2 ))
 )(
   (( segid "    " and resid 96   and name HN  ))
 )
      5.000     5.000     0.000 peak  9171 weight  0.10000E+01 volume  0.60700E+00 ppm1      3.406 ppm2      8.178
 ASSI (
   (( segid "    " and resid 95   and name HA2 ))
 )(
   (( segid "    " and resid 125  and name HB2 ))
  OR 
   (( segid "    " and resid 125  and name HB1 ))
 )
      6.000     6.000     0.000 peak  9179 weight  0.10000E+01 volume  0.13400E+00 ppm1      3.406 ppm2      1.293
 ASSI (
   (( segid "    " and resid 95   and name HA2 ))
 )(
   (( segid "    " and resid 125  and name HD13))
  OR 
   (( segid "    " and resid 125  and name HD12))
  OR 
   (( segid "    " and resid 125  and name HD11))
 )
      5.000     5.000     0.000 peak  9176 weight  0.10000E+01 volume  0.36500E+00 ppm1      3.407 ppm2      0.640
 ASSI (
   (( segid "    " and resid 96   and name HA  ))
 )(
   (( segid "    " and resid 96   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9183 weight  0.10000E+01 volume  0.12580E+01 ppm1      5.069 ppm2      3.231
 ASSI (
   (( segid "    " and resid 96   and name HA  ))
 )(
   (( segid "    " and resid 96   and name HB2 ))
 )
      5.000     5.000     0.000 peak  9184 weight  0.10000E+01 volume  0.93500E+00 ppm1      5.069 ppm2      2.496
 ASSI (
   (( segid "    " and resid 96   and name HA  ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9182 weight  0.10000E+01 volume  0.92100E+00 ppm1      5.067 ppm2      6.717
 ASSI (
   (( segid "    " and resid 96   and name HA  ))
 )(
   (( segid "    " and resid 96   and name HN  ))
 )
      5.000     5.000     0.000 peak  7040 weight  0.10000E+01 volume  0.54900E+00 ppm1      5.069 ppm2      8.166
 ASSI (
   (( segid "    " and resid 96   and name HA  ))
 )(
   (( segid "    " and resid 124  and name HA  ))
 )
      5.000     5.000     0.000 peak  5084 weight  0.10000E+01 volume  0.14980E+01 ppm1      5.069 ppm2      3.600
 ASSI (
   (( segid "    " and resid 96   and name HA  ))
 )(
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )
      5.000     5.000     0.000 peak  9187 weight  0.10000E+01 volume  0.36200E+00 ppm1      5.069 ppm2      0.654
 ASSI (
   (( segid "    " and resid 96   and name HA  ))
 )(
   (( segid "    " and resid 125  and name HB2 ))
  OR 
   (( segid "    " and resid 125  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9185 weight  0.10000E+01 volume  0.57000E+00 ppm1      5.069 ppm2      1.286
 ASSI (
   (( segid "    " and resid 96   and name HA  ))
 )(
   (( segid "    " and resid 125  and name HN  ))
 )
      3.300     3.300     0.000 peak  9180 weight  0.10000E+01 volume  0.21320E+01 ppm1      5.068 ppm2      7.818
 ASSI (
   (( segid "    " and resid 96   and name HB1 ))
 )(
   (( segid "    " and resid 96   and name HB2 ))
 )
      5.000     5.000     0.000 peak  9194 weight  0.10000E+01 volume  0.11260E+01 ppm1      3.217 ppm2      2.499
 ASSI (
   (( segid "    " and resid 96   and name HB1 ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7438 weight  0.10000E+01 volume  0.44300E+00 ppm1      3.214 ppm2      6.718
 ASSI (
   (( segid "    " and resid 96   and name HB1 ))
 )(
   (( segid "    " and resid 96   and name HN  ))
 )
      5.000     5.000     0.000 peak  7036 weight  0.10000E+01 volume  0.42500E+00 ppm1      3.219 ppm2      8.171
 ASSI (
   (( segid "    " and resid 96   and name HB2 ))
 )(
   (( segid "    " and resid 92   and name HA  ))
 )
      6.000     6.000     0.000 peak  9190 weight  0.10000E+01 volume  0.15900E+00 ppm1      2.498 ppm2      5.273
 ASSI (
   (( segid "    " and resid 96   and name HB2 ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7439 weight  0.10000E+01 volume  0.48800E+00 ppm1      2.498 ppm2      6.719
 ASSI (
   (( segid "    " and resid 96   and name HB2 ))
 )(
   (( segid "    " and resid 97   and name HN  ))
 )
      5.000     5.000     0.000 peak  7052 weight  0.10000E+01 volume  0.49500E+00 ppm1      2.496 ppm2      9.715
 ASSI (
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )(
   (( segid "    " and resid 95   and name HA1 ))
 )
      6.000     6.000     0.000 peak  9202 weight  0.10000E+01 volume  0.16200E+00 ppm1      6.702 ppm2      4.159
 ASSI (
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )(
   (( segid "    " and resid 95   and name HN  ))
 )
      6.000     6.000     0.000 peak  7005 weight  0.10000E+01 volume  0.11700E+00 ppm1      6.703 ppm2      8.888
 ASSI (
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )(
   (( segid "    " and resid 96   and name HN  ))
 )
      5.000     5.000     0.000 peak  6897 weight  0.10000E+01 volume  0.45000E+00 ppm1      6.705 ppm2      8.170
 ASSI (
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )(
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9199 weight  0.10000E+01 volume  0.24100E+00 ppm1      6.705 ppm2      6.989
 ASSI (
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )(
   (( segid "    " and resid 123  and name HN  ))
 )
      6.000     6.000     0.000 peak  9195 weight  0.10000E+01 volume  0.13500E+00 ppm1      6.704 ppm2      9.089
 ASSI (
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )(
   (( segid "    " and resid 124  and name HA  ))
 )
      5.000     5.000     0.000 peak  9205 weight  0.10000E+01 volume  0.78200E+00 ppm1      6.706 ppm2      3.595
 ASSI (
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )(
   (( segid "    " and resid 124  and name HG12))
 )
      5.000     5.000     0.000 peak  9207 weight  0.10000E+01 volume  0.34800E+00 ppm1      6.704 ppm2      0.833
 ASSI (
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      3.300     3.300     0.000 peak  7444 weight  0.10000E+01 volume  0.15780E+01 ppm1      7.133 ppm2      6.714
 ASSI (
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )(
   (( segid "    " and resid 124  and name HB  ))
 )
      5.000     5.000     0.000 peak  9210 weight  0.10000E+01 volume  0.31800E+00 ppm1      7.134 ppm2      1.533
 ASSI (
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )(
   (( segid "    " and resid 124  and name HD13))
  OR 
   (( segid "    " and resid 124  and name HD12))
  OR 
   (( segid "    " and resid 124  and name HD11))
 )
      5.000     5.000     0.000 peak  9215 weight  0.10000E+01 volume  0.31700E+00 ppm1      7.133 ppm2      0.593
 ASSI (
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )(
   (( segid "    " and resid 124  and name HG11))
 )
      5.000     5.000     0.000 peak  9212 weight  0.10000E+01 volume  0.39700E+00 ppm1      7.134 ppm2      1.109
 ASSI (
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )(
   (( segid "    " and resid 124  and name HG12))
 )
      5.000     5.000     0.000 peak  9213 weight  0.10000E+01 volume  0.67800E+00 ppm1      7.133 ppm2      0.829
 ASSI (
   (( segid "    " and resid 97   and name HA  ))
 )(
   (( segid "    " and resid 97   and name HB1 ))
 )
      3.300     3.300     0.000 peak  7446 weight  0.10000E+01 volume  0.21570E+01 ppm1      4.840 ppm2      2.914
 ASSI (
   (( segid "    " and resid 97   and name HA  ))
 )(
   (( segid "    " and resid 97   and name HB2 ))
 )
      3.300     3.300     0.000 peak  7447 weight  0.10000E+01 volume  0.17840E+01 ppm1      4.841 ppm2      2.856
 ASSI (
   (( segid "    " and resid 97   and name HA  ))
 )(
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9217 weight  0.10000E+01 volume  0.10000E-01 ppm1      4.842 ppm2      7.021
 ASSI (
   (( segid "    " and resid 97   and name HA  ))
 )(
   (( segid "    " and resid 97   and name HN  ))
 )
      3.300     3.300     0.000 peak  7060 weight  0.10000E+01 volume  0.16740E+01 ppm1      4.846 ppm2      9.717
 ASSI (
   (( segid "    " and resid 97   and name HA  ))
 )(
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )
      6.000     6.000     0.000 peak  9221 weight  0.10000E+01 volume  0.95000E-01 ppm1      4.840 ppm2      0.408
 ASSI (
   (( segid "    " and resid 97   and name HA  ))
 )(
   (( segid "    " and resid 98   and name HN  ))
 )
      2.700     2.700     0.000 peak  7088 weight  0.10000E+01 volume  0.31960E+01 ppm1      4.842 ppm2      8.007
 ASSI (
   (( segid "    " and resid 97   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HN  ))
 )
      6.000     6.000     0.000 peak  9216 weight  0.10000E+01 volume  0.20200E+00 ppm1      4.847 ppm2      9.105
 ASSI (
   (( segid "    " and resid 97   and name HB1 ))
 )(
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )
      3.300     3.300     0.000 peak  7450 weight  0.10000E+01 volume  0.16410E+01 ppm1      2.910 ppm2      7.019
 ASSI (
   (( segid "    " and resid 97   and name HB1 ))
 )(
   (( segid "    " and resid 97   and name HN  ))
 )
      5.000     5.000     0.000 peak  7054 weight  0.10000E+01 volume  0.77300E+00 ppm1      2.910 ppm2      9.715
 ASSI (
   (( segid "    " and resid 97   and name HB1 ))
 )(
   (( segid "    " and resid 98   and name HN  ))
 )
      5.000     5.000     0.000 peak  7082 weight  0.10000E+01 volume  0.13330E+01 ppm1      2.910 ppm2      8.008
 ASSI (
   (( segid "    " and resid 97   and name HB1 ))
 )(
   (( segid "    " and resid 125  and name HD23))
  OR 
   (( segid "    " and resid 125  and name HD22))
  OR 
   (( segid "    " and resid 125  and name HD21))
 )
      3.300     3.300     0.000 peak  5444 weight  0.10000E+01 volume  0.17730E+01 ppm1      2.909 ppm2      0.666
 ASSI (
   (( segid "    " and resid 97   and name HB2 ))
 )(
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )
      3.300     3.300     0.000 peak  7451 weight  0.10000E+01 volume  0.15650E+01 ppm1      2.857 ppm2      7.020
 ASSI (
   (( segid "    " and resid 97   and name HB2 ))
 )(
   (( segid "    " and resid 97   and name HN  ))
 )
      5.000     5.000     0.000 peak  7055 weight  0.10000E+01 volume  0.77200E+00 ppm1      2.855 ppm2      9.717
 ASSI (
   (( segid "    " and resid 97   and name HB2 ))
 )(
   (( segid "    " and resid 98   and name HN  ))
 )
      5.000     5.000     0.000 peak  7083 weight  0.10000E+01 volume  0.98100E+00 ppm1      2.856 ppm2      8.007
 ASSI (
   (( segid "    " and resid 97   and name HB2 ))
 )(
   (( segid "    " and resid 125  and name HD23))
  OR 
   (( segid "    " and resid 125  and name HD22))
  OR 
   (( segid "    " and resid 125  and name HD21))
 )
      3.300     3.300     0.000 peak  5447 weight  0.10000E+01 volume  0.17560E+01 ppm1      2.855 ppm2      0.666
 ASSI (
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )(
   (( segid "    " and resid 96   and name HA  ))
 )
      6.000     6.000     0.000 peak  6964 weight  0.10000E+01 volume  0.14600E+00 ppm1      7.002 ppm2      5.083
 ASSI (
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )(
   (( segid "    " and resid 97   and name HE2 ))
  OR 
   (( segid "    " and resid 97   and name HE1 ))
 )
      3.300     3.300     0.000 peak  7455 weight  0.10000E+01 volume  0.23420E+01 ppm1      7.002 ppm2      7.166
 ASSI (
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )(
   (( segid "    " and resid 97   and name HN  ))
 )
      5.000     5.000     0.000 peak  7590 weight  0.10000E+01 volume  0.31100E+00 ppm1      7.002 ppm2      9.719
 ASSI (
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )(
   (( segid "    " and resid 98   and name HN  ))
 )
      6.000     6.000     0.000 peak  7090 weight  0.10000E+01 volume  0.11200E+00 ppm1      7.001 ppm2      8.009
 ASSI (
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )(
   (( segid "    " and resid 125  and name HA  ))
 )
      5.000     5.000     0.000 peak  9227 weight  0.10000E+01 volume  0.57700E+00 ppm1      7.001 ppm2      4.194
 ASSI (
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )(
   (( segid "    " and resid 125  and name HB2 ))
  OR 
   (( segid "    " and resid 125  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9229 weight  0.10000E+01 volume  0.50000E+00 ppm1      7.002 ppm2      1.297
 ASSI (
   (( segid "    " and resid 98   and name HA  ))
 )(
   (( segid "    " and resid 98   and name HG  ))
 )
      6.000     6.000     0.000 peak  7086 weight  0.10000E+01 volume  0.28300E+00 ppm1      4.548 ppm2      1.108
 ASSI (
   (( segid "    " and resid 98   and name HB1 ))
 )(
   (( segid "    " and resid 97   and name HA  ))
 )
      5.000     5.000     0.000 peak  7389 weight  0.10000E+01 volume  0.43100E+00 ppm1      1.507 ppm2      4.858
 ASSI (
   (( segid "    " and resid 98   and name HB1 ))
 )(
   (( segid "    " and resid 98   and name HA  ))
 )
      5.000     5.000     0.000 peak  5449 weight  0.10000E+01 volume  0.63700E+00 ppm1      1.508 ppm2      4.562
 ASSI (
   (( segid "    " and resid 98   and name HB1 ))
 )(
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )
      3.300     3.300     0.000 peak  9231 weight  0.10000E+01 volume  0.19340E+01 ppm1      1.503 ppm2      0.644
 ASSI (
   (( segid "    " and resid 98   and name HB1 ))
 )(
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )
      3.300     3.300     0.000 peak  9233 weight  0.10000E+01 volume  0.15780E+01 ppm1      1.504 ppm2      0.404
 ASSI (
   (( segid "    " and resid 98   and name HB1 ))
 )(
   (( segid "    " and resid 98   and name HG  ))
 )
      5.000     5.000     0.000 peak  5452 weight  0.10000E+01 volume  0.87000E+00 ppm1      1.504 ppm2      1.103
 ASSI (
   (( segid "    " and resid 98   and name HB1 ))
 )(
   (( segid "    " and resid 98   and name HN  ))
 )
      3.300     3.300     0.000 peak  7079 weight  0.10000E+01 volume  0.15530E+01 ppm1      1.504 ppm2      8.004
 ASSI (
   (( segid "    " and resid 98   and name HB2 ))
 )(
   (( segid "    " and resid 98   and name HA  ))
 )
      5.000     5.000     0.000 peak  5450 weight  0.10000E+01 volume  0.67200E+00 ppm1      1.389 ppm2      4.563
 ASSI (
   (( segid "    " and resid 98   and name HB2 ))
 )(
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )
      3.300     3.300     0.000 peak  9232 weight  0.10000E+01 volume  0.15530E+01 ppm1      1.391 ppm2      0.644
 ASSI (
   (( segid "    " and resid 98   and name HB2 ))
 )(
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )
      5.000     5.000     0.000 peak  9234 weight  0.10000E+01 volume  0.10620E+01 ppm1      1.391 ppm2      0.405
 ASSI (
   (( segid "    " and resid 98   and name HB2 ))
 )(
   (( segid "    " and resid 98   and name HG  ))
 )
      5.000     5.000     0.000 peak  5451 weight  0.10000E+01 volume  0.67000E+00 ppm1      1.390 ppm2      1.103
 ASSI (
   (( segid "    " and resid 98   and name HB2 ))
 )(
   (( segid "    " and resid 98   and name HN  ))
 )
      3.300     3.300     0.000 peak  7077 weight  0.10000E+01 volume  0.15110E+01 ppm1      1.392 ppm2      8.005
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 90   and name HB1 ))
 )
      3.300     3.300     0.000 peak  5434 weight  0.10000E+01 volume  0.17830E+01 ppm1      0.642 ppm2      2.780
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 90   and name HB2 ))
 )
      3.300     3.300     0.000 peak  5436 weight  0.10000E+01 volume  0.16450E+01 ppm1      0.644 ppm2      2.538
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 90   and name HN  ))
 )
      5.000     5.000     0.000 peak  6938 weight  0.10000E+01 volume  0.41900E+00 ppm1      0.638 ppm2      8.376
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 91   and name HB2 ))
  OR 
   (( segid "    " and resid 91   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5721 weight  0.10000E+01 volume  0.53000E+00 ppm1      0.637 ppm2      3.782
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 91   and name HN  ))
 )
      5.000     5.000     0.000 peak  9237 weight  0.10000E+01 volume  0.12560E+01 ppm1      0.638 ppm2      8.243
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 92   and name HB1 ))
 )
      6.000     6.000     0.000 peak  9244 weight  0.10000E+01 volume  0.29500E+00 ppm1      0.637 ppm2      2.938
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 92   and name HN  ))
 )
      5.000     5.000     0.000 peak  6968 weight  0.10000E+01 volume  0.66800E+00 ppm1      0.640 ppm2      8.715
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 97   and name HA  ))
 )
      6.000     6.000     0.000 peak  9243 weight  0.10000E+01 volume  0.25100E+00 ppm1      0.637 ppm2      4.834
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 98   and name HA  ))
 )
      3.300     3.300     0.000 peak  5723 weight  0.10000E+01 volume  0.17940E+01 ppm1      0.636 ppm2      4.540
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 98   and name HN  ))
 )
      5.000     5.000     0.000 peak  7073 weight  0.10000E+01 volume  0.69300E+00 ppm1      0.637 ppm2      8.004
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 99   and name HN  ))
 )
      5.000     5.000     0.000 peak  7096 weight  0.10000E+01 volume  0.35600E+00 ppm1      0.639 ppm2      9.124
 ASSI (
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )(
   (( segid "    " and resid 102  and name HA  ))
 )
      3.300     3.300     0.000 peak  5722 weight  0.10000E+01 volume  0.23670E+01 ppm1      0.637 ppm2      4.301
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9248 weight  0.10000E+01 volume  0.35300E+00 ppm1      0.400 ppm2      7.022
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 98   and name HA  ))
 )
      5.000     5.000     0.000 peak  5729 weight  0.10000E+01 volume  0.11630E+01 ppm1      0.399 ppm2      4.546
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 98   and name HN  ))
 )
      5.000     5.000     0.000 peak  7071 weight  0.10000E+01 volume  0.71400E+00 ppm1      0.402 ppm2      7.995
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 99   and name HN  ))
 )
      5.000     5.000     0.000 peak  7094 weight  0.10000E+01 volume  0.58500E+00 ppm1      0.400 ppm2      9.123
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 100  and name HN  ))
 )
      5.000     5.000     0.000 peak  7116 weight  0.10000E+01 volume  0.57800E+00 ppm1      0.400 ppm2      8.431
 ASSI (
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )(
   (( segid "    " and resid 102  and name HN  ))
 )
      5.000     5.000     0.000 peak  7129 weight  0.10000E+01 volume  0.35600E+00 ppm1      0.400 ppm2      8.205
 ASSI (
   (( segid "    " and resid 98   and name HG  ))
 )(
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )
      5.000     5.000     0.000 peak  9238 weight  0.10000E+01 volume  0.14530E+01 ppm1      1.089 ppm2      0.413
 ASSI (
   (( segid "    " and resid 98   and name HG  ))
 )(
   (( segid "    " and resid 98   and name HN  ))
 )
      5.000     5.000     0.000 peak  7075 weight  0.10000E+01 volume  0.43300E+00 ppm1      1.089 ppm2      7.992
 ASSI (
   (( segid "    " and resid 98   and name HG  ))
 )(
   (( segid "    " and resid 99   and name HN  ))
 )
      5.000     5.000     0.000 peak  9235 weight  0.10000E+01 volume  0.81200E+00 ppm1      1.088 ppm2      9.132
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )
      5.000     5.000     0.000 peak  5088 weight  0.10000E+01 volume  0.59000E+00 ppm1      4.214 ppm2      0.405
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HB  ))
 )
      5.000     5.000     0.000 peak  9254 weight  0.10000E+01 volume  0.60300E+00 ppm1      4.214 ppm2      1.722
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )
      5.000     5.000     0.000 peak  9258 weight  0.10000E+01 volume  0.10950E+01 ppm1      4.214 ppm2      0.696
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HG12))
 )
      3.300     3.300     0.000 peak  9256 weight  0.10000E+01 volume  0.22910E+01 ppm1      4.215 ppm2      1.065
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )
      3.300     3.300     0.000 peak  9257 weight  0.10000E+01 volume  0.20470E+01 ppm1      4.214 ppm2      0.826
 ASSI (
   (( segid "    " and resid 99   and name HA  ))
 )(
   (( segid "    " and resid 99   and name HN  ))
 )
      5.000     5.000     0.000 peak  7106 weight  0.10000E+01 volume  0.44700E+00 ppm1      4.218 ppm2      9.130
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 97   and name HA  ))
 )
      6.000     6.000     0.000 peak  9280 weight  0.10000E+01 volume  0.13300E+00 ppm1      0.701 ppm2      4.858
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 97   and name HB2 ))
  OR 
   (( segid "    " and resid 97   and name HB1 ))
 )
      6.000     6.000     0.000 peak  9284 weight  0.10000E+01 volume  0.14900E+00 ppm1      0.702 ppm2      2.887
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9278 weight  0.10000E+01 volume  0.55800E+00 ppm1      0.702 ppm2      7.023
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 97   and name HE2 ))
  OR 
   (( segid "    " and resid 97   and name HE1 ))
 )
      3.300     3.300     0.000 peak  9277 weight  0.10000E+01 volume  0.15130E+01 ppm1      0.702 ppm2      7.186
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 99   and name HN  ))
 )
      5.000     5.000     0.000 peak  9275 weight  0.10000E+01 volume  0.57600E+00 ppm1      0.702 ppm2      9.127
 ASSI (
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )(
   (( segid "    " and resid 123  and name HG2 ))
 )
      5.000     5.000     0.000 peak  5730 weight  0.10000E+01 volume  0.10010E+01 ppm1      0.703 ppm2      2.195
 ASSI (
   (( segid "    " and resid 99   and name HG11))
 )(
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9264 weight  0.10000E+01 volume  0.67100E+00 ppm1      1.322 ppm2      7.023
 ASSI (
   (( segid "    " and resid 99   and name HG11))
 )(
   (( segid "    " and resid 97   and name HE2 ))
  OR 
   (( segid "    " and resid 97   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9262 weight  0.10000E+01 volume  0.64400E+00 ppm1      1.322 ppm2      7.188
 ASSI (
   (( segid "    " and resid 99   and name HG11))
 )(
   (( segid "    " and resid 99   and name HA  ))
 )
      3.300     3.300     0.000 peak  9266 weight  0.10000E+01 volume  0.18250E+01 ppm1      1.323 ppm2      4.229
 ASSI (
   (( segid "    " and resid 99   and name HG11))
 )(
   (( segid "    " and resid 99   and name HN  ))
 )
      5.000     5.000     0.000 peak  6263 weight  0.10000E+01 volume  0.65400E+00 ppm1      1.322 ppm2      9.122
 ASSI (
   (( segid "    " and resid 99   and name HG11))
 )(
   (( segid "    " and resid 100  and name HN  ))
 )
      5.000     5.000     0.000 peak  9260 weight  0.10000E+01 volume  0.51600E+00 ppm1      1.322 ppm2      8.430
 ASSI (
   (( segid "    " and resid 99   and name HG12))
 )(
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9265 weight  0.10000E+01 volume  0.38100E+00 ppm1      1.054 ppm2      7.023
 ASSI (
   (( segid "    " and resid 99   and name HG12))
 )(
   (( segid "    " and resid 97   and name HE2 ))
  OR 
   (( segid "    " and resid 97   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9263 weight  0.10000E+01 volume  0.68100E+00 ppm1      1.056 ppm2      7.188
 ASSI (
   (( segid "    " and resid 99   and name HG12))
 )(
   (( segid "    " and resid 99   and name HN  ))
 )
      5.000     5.000     0.000 peak  9259 weight  0.10000E+01 volume  0.44800E+00 ppm1      1.055 ppm2      9.124
 ASSI (
   (( segid "    " and resid 99   and name HG12))
 )(
   (( segid "    " and resid 100  and name HN  ))
 )
      5.000     5.000     0.000 peak  9261 weight  0.10000E+01 volume  0.46900E+00 ppm1      1.057 ppm2      8.430
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 97   and name HD2 ))
  OR 
   (( segid "    " and resid 97   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9272 weight  0.10000E+01 volume  0.15500E+00 ppm1      0.805 ppm2      7.021
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 97   and name HE2 ))
  OR 
   (( segid "    " and resid 97   and name HE1 ))
 )
      6.000     6.000     0.000 peak  9271 weight  0.10000E+01 volume  0.23800E+00 ppm1      0.804 ppm2      7.186
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 99   and name HN  ))
 )
      5.000     5.000     0.000 peak  7098 weight  0.10000E+01 volume  0.49800E+00 ppm1      0.805 ppm2      9.126
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 100  and name HA2 ))
 )
      5.000     5.000     0.000 peak  5734 weight  0.10000E+01 volume  0.46200E+00 ppm1      0.804 ppm2      3.608
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 100  and name HN  ))
 )
      5.000     5.000     0.000 peak  7117 weight  0.10000E+01 volume  0.13750E+01 ppm1      0.804 ppm2      8.437
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 101  and name HN  ))
 )
      6.000     6.000     0.000 peak  9268 weight  0.10000E+01 volume  0.17700E+00 ppm1      0.804 ppm2      8.148
 ASSI (
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )(
   (( segid "    " and resid 121  and name HN  ))
 )
      5.000     5.000     0.000 peak  9269 weight  0.10000E+01 volume  0.39700E+00 ppm1      0.805 ppm2      7.963
 ASSI (
   (( segid "    " and resid 100  and name HA1 ))
 )(
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )
      6.000     6.000     0.000 peak  9290 weight  0.10000E+01 volume  0.39000E-01 ppm1      4.462 ppm2      0.825
 ASSI (
   (( segid "    " and resid 100  and name HA1 ))
 )(
   (( segid "    " and resid 100  and name HN  ))
 )
      5.000     5.000     0.000 peak  9286 weight  0.10000E+01 volume  0.35000E+00 ppm1      4.456 ppm2      8.431
 ASSI (
   (( segid "    " and resid 100  and name HA1 ))
 )(
   (( segid "    " and resid 101  and name HN  ))
 )
      5.000     5.000     0.000 peak  6456 weight  0.10000E+01 volume  0.69900E+00 ppm1      4.459 ppm2      8.143
 ASSI (
   (( segid "    " and resid 100  and name HA2 ))
 )(
   (( segid "    " and resid 100  and name HA1 ))
 )
      2.700     2.700     0.000 peak  9287 weight  0.10000E+01 volume  0.32030E+01 ppm1      3.590 ppm2      4.464
 ASSI (
   (( segid "    " and resid 101  and name HA  ))
 )(
   (( segid "    " and resid 101  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9291 weight  0.10000E+01 volume  0.69000E+00 ppm1      4.448 ppm2      3.783
 ASSI (
   (( segid "    " and resid 101  and name HA  ))
 )(
   (( segid "    " and resid 102  and name HG23))
  OR 
   (( segid "    " and resid 102  and name HG22))
  OR 
   (( segid "    " and resid 102  and name HG21))
 )
      6.000     6.000     0.000 peak  5091 weight  0.10000E+01 volume  0.15200E+00 ppm1      4.450 ppm2      1.336
 ASSI (
   (( segid "    " and resid 101  and name HB1 ))
 )(
   (( segid "    " and resid 101  and name HB2 ))
 )
      2.700     2.700     0.000 peak  9296 weight  0.10000E+01 volume  0.54960E+01 ppm1      3.778 ppm2      3.412
 ASSI (
   (( segid "    " and resid 101  and name HB1 ))
 )(
   (( segid "    " and resid 101  and name HN  ))
 )
      3.300     3.300     0.000 peak  7137 weight  0.10000E+01 volume  0.22080E+01 ppm1      3.778 ppm2      8.148
 ASSI (
   (( segid "    " and resid 101  and name HB1 ))
 )(
   (( segid "    " and resid 103  and name HN  ))
 )
      5.000     5.000     0.000 peak  7152 weight  0.10000E+01 volume  0.58700E+00 ppm1      3.780 ppm2      7.558
 ASSI (
   (( segid "    " and resid 101  and name HB2 ))
 )(
   (( segid "    " and resid 101  and name HN  ))
 )
      5.000     5.000     0.000 peak  6418 weight  0.10000E+01 volume  0.13210E+01 ppm1      3.409 ppm2      8.145
 ASSI (
   (( segid "    " and resid 101  and name HB2 ))
 )(
   (( segid "    " and resid 102  and name HN  ))
 )
      5.000     5.000     0.000 peak  7135 weight  0.10000E+01 volume  0.47300E+00 ppm1      3.409 ppm2      8.209
 ASSI (
   (( segid "    " and resid 101  and name HB2 ))
 )(
   (( segid "    " and resid 103  and name HN  ))
 )
      5.000     5.000     0.000 peak  7150 weight  0.10000E+01 volume  0.35300E+00 ppm1      3.408 ppm2      7.557
 ASSI (
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 90   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5093 weight  0.10000E+01 volume  0.39300E+00 ppm1      4.284 ppm2      2.781
 ASSI (
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 90   and name HN  ))
 )
      5.000     5.000     0.000 peak  9297 weight  0.10000E+01 volume  0.43400E+00 ppm1      4.276 ppm2      8.383
 ASSI (
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )
      5.000     5.000     0.000 peak  5096 weight  0.10000E+01 volume  0.14100E+01 ppm1      4.278 ppm2      0.635
 ASSI (
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
 )
      3.300     3.300     0.000 peak  5098 weight  0.10000E+01 volume  0.16630E+01 ppm1      4.279 ppm2      0.424
 ASSI (
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 102  and name HB  ))
 )
      3.300     3.300     0.000 peak  9301 weight  0.10000E+01 volume  0.21670E+01 ppm1      4.280 ppm2      4.536
 ASSI (
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 102  and name HG23))
  OR 
   (( segid "    " and resid 102  and name HG22))
  OR 
   (( segid "    " and resid 102  and name HG21))
 )
      2.700     2.700     0.000 peak  9300 weight  0.10000E+01 volume  0.32020E+01 ppm1      4.279 ppm2      1.342
 ASSI (
   (( segid "    " and resid 102  and name HA  ))
 )(
   (( segid "    " and resid 103  and name HN  ))
 )
      5.000     5.000     0.000 peak  7156 weight  0.10000E+01 volume  0.41700E+00 ppm1      4.277 ppm2      7.558
 ASSI (
   (( segid "    " and resid 102  and name HG23))
  OR 
   (( segid "    " and resid 102  and name HG22))
  OR 
   (( segid "    " and resid 102  and name HG21))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9305 weight  0.10000E+01 volume  0.15200E+00 ppm1      1.322 ppm2      7.022
 ASSI (
   (( segid "    " and resid 102  and name HG23))
  OR 
   (( segid "    " and resid 102  and name HG22))
  OR 
   (( segid "    " and resid 102  and name HG21))
 )(
   (( segid "    " and resid 102  and name HB  ))
 )
      3.300     3.300     0.000 peak  5738 weight  0.10000E+01 volume  0.27990E+01 ppm1      1.323 ppm2      4.549
 ASSI (
   (( segid "    " and resid 103  and name HA  ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9309 weight  0.10000E+01 volume  0.20300E+00 ppm1      5.056 ppm2      7.025
 ASSI (
   (( segid "    " and resid 103  and name HA  ))
 )(
   (( segid "    " and resid 90   and name HN  ))
 )
      5.000     5.000     0.000 peak  9307 weight  0.10000E+01 volume  0.67600E+00 ppm1      5.055 ppm2      8.381
 ASSI (
   (( segid "    " and resid 103  and name HA  ))
 )(
   (( segid "    " and resid 103  and name HB  ))
 )
      3.300     3.300     0.000 peak  9310 weight  0.10000E+01 volume  0.15610E+01 ppm1      5.057 ppm2      3.995
 ASSI (
   (( segid "    " and resid 103  and name HA  ))
 )(
   (( segid "    " and resid 103  and name HG1 ))
 )
      5.000     5.000     0.000 peak  5099 weight  0.10000E+01 volume  0.12250E+01 ppm1      5.056 ppm2      4.806
 ASSI (
   (( segid "    " and resid 103  and name HA  ))
 )(
   (( segid "    " and resid 103  and name HG23))
  OR 
   (( segid "    " and resid 103  and name HG22))
  OR 
   (( segid "    " and resid 103  and name HG21))
 )
      3.300     3.300     0.000 peak  5103 weight  0.10000E+01 volume  0.15440E+01 ppm1      5.056 ppm2      1.087
 ASSI (
   (( segid "    " and resid 103  and name HA  ))
 )(
   (( segid "    " and resid 103  and name HN  ))
 )
      5.000     5.000     0.000 peak  7160 weight  0.10000E+01 volume  0.38000E+00 ppm1      5.053 ppm2      7.563
 ASSI (
   (( segid "    " and resid 103  and name HA  ))
 )(
   (( segid "    " and resid 104  and name HN  ))
 )
      3.300     3.300     0.000 peak  7181 weight  0.10000E+01 volume  0.19940E+01 ppm1      5.056 ppm2      8.048
 ASSI (
   (( segid "    " and resid 103  and name HB  ))
 )(
   (( segid "    " and resid 103  and name HG23))
  OR 
   (( segid "    " and resid 103  and name HG22))
  OR 
   (( segid "    " and resid 103  and name HG21))
 )
      2.700     2.700     0.000 peak  9317 weight  0.10000E+01 volume  0.31720E+01 ppm1      3.982 ppm2      1.084
 ASSI (
   (( segid "    " and resid 103  and name HB  ))
 )(
   (( segid "    " and resid 103  and name HN  ))
 )
      5.000     5.000     0.000 peak  7154 weight  0.10000E+01 volume  0.31000E+00 ppm1      3.983 ppm2      7.558
 ASSI (
   (( segid "    " and resid 103  and name HG23))
  OR 
   (( segid "    " and resid 103  and name HG22))
  OR 
   (( segid "    " and resid 103  and name HG21))
 )(
   (( segid "    " and resid 87   and name HE22))
 )
      5.000     5.000     0.000 peak  9321 weight  0.10000E+01 volume  0.62900E+00 ppm1      1.073 ppm2      6.810
 ASSI (
   (( segid "    " and resid 103  and name HG23))
  OR 
   (( segid "    " and resid 103  and name HG22))
  OR 
   (( segid "    " and resid 103  and name HG21))
 )(
   (( segid "    " and resid 88   and name HN  ))
 )
      5.000     5.000     0.000 peak  9318 weight  0.10000E+01 volume  0.56600E+00 ppm1      1.072 ppm2      8.804
 ASSI (
   (( segid "    " and resid 103  and name HG23))
  OR 
   (( segid "    " and resid 103  and name HG22))
  OR 
   (( segid "    " and resid 103  and name HG21))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9320 weight  0.10000E+01 volume  0.14320E+01 ppm1      1.072 ppm2      7.024
 ASSI (
   (( segid "    " and resid 103  and name HG23))
  OR 
   (( segid "    " and resid 103  and name HG22))
  OR 
   (( segid "    " and resid 103  and name HG21))
 )(
   (( segid "    " and resid 103  and name HN  ))
 )
      5.000     5.000     0.000 peak  7147 weight  0.10000E+01 volume  0.10840E+01 ppm1      1.073 ppm2      7.556
 ASSI (
   (( segid "    " and resid 103  and name HG23))
  OR 
   (( segid "    " and resid 103  and name HG22))
  OR 
   (( segid "    " and resid 103  and name HG21))
 )(
   (( segid "    " and resid 104  and name HN  ))
 )
      5.000     5.000     0.000 peak  9319 weight  0.10000E+01 volume  0.98000E+00 ppm1      1.072 ppm2      8.054
 ASSI (
   (( segid "    " and resid 104  and name HB1 ))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      5.000     5.000     0.000 peak  5315 weight  0.10000E+01 volume  0.39200E+00 ppm1      3.870 ppm2     -0.608
 ASSI (
   (( segid "    " and resid 105  and name HA  ))
 )(
   (( segid "    " and resid 105  and name HG1 ))
 )
      5.000     5.000     0.000 peak  9331 weight  0.10000E+01 volume  0.57800E+00 ppm1      5.612 ppm2      1.400
 ASSI (
   (( segid "    " and resid 105  and name HA  ))
 )(
   (( segid "    " and resid 115  and name HZ3 ))
 )
      5.000     5.000     0.000 peak  9326 weight  0.10000E+01 volume  0.43900E+00 ppm1      5.612 ppm2      6.847
 ASSI (
   (( segid "    " and resid 105  and name HB1 ))
 )(
   (( segid "    " and resid 105  and name HA  ))
 )
      3.300     3.300     0.000 peak  9329 weight  0.10000E+01 volume  0.16000E+01 ppm1      1.696 ppm2      5.612
 ASSI (
   (( segid "    " and resid 105  and name HB1 ))
 )(
   (( segid "    " and resid 105  and name HD2 ))
  OR 
   (( segid "    " and resid 105  and name HD1 ))
 )
      3.300     3.300     0.000 peak  9342 weight  0.10000E+01 volume  0.19950E+01 ppm1      1.695 ppm2      3.093
 ASSI (
   (( segid "    " and resid 105  and name HB1 ))
 )(
   (( segid "    " and resid 105  and name HG1 ))
 )
      3.300     3.300     0.000 peak  5459 weight  0.10000E+01 volume  0.24750E+01 ppm1      1.694 ppm2      1.397
 ASSI (
   (( segid "    " and resid 105  and name HB1 ))
 )(
   (( segid "    " and resid 105  and name HN  ))
 )
      5.000     5.000     0.000 peak  7188 weight  0.10000E+01 volume  0.10680E+01 ppm1      1.694 ppm2      9.016
 ASSI (
   (( segid "    " and resid 105  and name HB1 ))
 )(
   (( segid "    " and resid 106  and name HA  ))
 )
      5.000     5.000     0.000 peak  9340 weight  0.10000E+01 volume  0.46600E+00 ppm1      1.693 ppm2      3.879
 ASSI (
   (( segid "    " and resid 105  and name HB1 ))
 )(
   (( segid "    " and resid 106  and name HN  ))
 )
      5.000     5.000     0.000 peak  9332 weight  0.10000E+01 volume  0.12900E+01 ppm1      1.694 ppm2      8.381
 ASSI (
   (( segid "    " and resid 105  and name HB2 ))
 )(
   (( segid "    " and resid 105  and name HA  ))
 )
      3.300     3.300     0.000 peak  9337 weight  0.10000E+01 volume  0.15710E+01 ppm1      1.643 ppm2      5.613
 ASSI (
   (( segid "    " and resid 105  and name HB2 ))
 )(
   (( segid "    " and resid 105  and name HD2 ))
  OR 
   (( segid "    " and resid 105  and name HD1 ))
 )
      3.300     3.300     0.000 peak  9343 weight  0.10000E+01 volume  0.19690E+01 ppm1      1.643 ppm2      3.093
 ASSI (
   (( segid "    " and resid 105  and name HB2 ))
 )(
   (( segid "    " and resid 105  and name HG1 ))
 )
      3.300     3.300     0.000 peak  9344 weight  0.10000E+01 volume  0.25040E+01 ppm1      1.644 ppm2      1.400
 ASSI (
   (( segid "    " and resid 105  and name HB2 ))
 )(
   (( segid "    " and resid 105  and name HN  ))
 )
      5.000     5.000     0.000 peak  7187 weight  0.10000E+01 volume  0.10390E+01 ppm1      1.644 ppm2      9.016
 ASSI (
   (( segid "    " and resid 105  and name HB2 ))
 )(
   (( segid "    " and resid 106  and name HA  ))
 )
      5.000     5.000     0.000 peak  9341 weight  0.10000E+01 volume  0.44600E+00 ppm1      1.643 ppm2      3.879
 ASSI (
   (( segid "    " and resid 105  and name HB2 ))
 )(
   (( segid "    " and resid 106  and name HN  ))
 )
      5.000     5.000     0.000 peak  9334 weight  0.10000E+01 volume  0.11100E+01 ppm1      1.641 ppm2      8.379
 ASSI (
   (( segid "    " and resid 105  and name HG1 ))
 )(
   (( segid "    " and resid 104  and name HA  ))
 )
      5.000     5.000     0.000 peak  2244 weight  0.10000E+01 volume  0.38400E+00 ppm1      1.401 ppm2      4.559
 ASSI (
   (( segid "    " and resid 105  and name HG1 ))
 )(
   (( segid "    " and resid 105  and name HD2 ))
  OR 
   (( segid "    " and resid 105  and name HD1 ))
 )
      2.700     2.700     0.000 peak  9347 weight  0.10000E+01 volume  0.42970E+01 ppm1      1.399 ppm2      3.093
 ASSI (
   (( segid "    " and resid 105  and name HG1 ))
 )(
   (( segid "    " and resid 106  and name HN  ))
 )
      5.000     5.000     0.000 peak  9345 weight  0.10000E+01 volume  0.83000E+00 ppm1      1.398 ppm2      8.380
 ASSI (
   (( segid "    " and resid 105  and name HG2 ))
 )(
   (( segid "    " and resid 104  and name HA  ))
 )
      5.000     5.000     0.000 peak  5742 weight  0.10000E+01 volume  0.37400E+00 ppm1      1.329 ppm2      4.560
 ASSI (
   (( segid "    " and resid 105  and name HG2 ))
 )(
   (( segid "    " and resid 105  and name HA  ))
 )
      5.000     5.000     0.000 peak  5740 weight  0.10000E+01 volume  0.88100E+00 ppm1      1.334 ppm2      5.609
 ASSI (
   (( segid "    " and resid 105  and name HG2 ))
 )(
   (( segid "    " and resid 105  and name HD2 ))
  OR 
   (( segid "    " and resid 105  and name HD1 ))
 )
      2.700     2.700     0.000 peak  9348 weight  0.10000E+01 volume  0.35590E+01 ppm1      1.333 ppm2      3.094
 ASSI (
   (( segid "    " and resid 106  and name HA  ))
 )(
   (( segid "    " and resid 106  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9354 weight  0.10000E+01 volume  0.41700E+00 ppm1      3.894 ppm2      2.636
 ASSI (
   (( segid "    " and resid 106  and name HA  ))
 )(
   (( segid "    " and resid 106  and name HN  ))
 )
      5.000     5.000     0.000 peak  9352 weight  0.10000E+01 volume  0.57300E+00 ppm1      3.893 ppm2      8.369
 ASSI (
   (( segid "    " and resid 106  and name HA  ))
 )(
   (( segid "    " and resid 107  and name HG2 ))
  OR 
   (( segid "    " and resid 107  and name HG1 ))
 )
      6.000     6.000     0.000 peak  5104 weight  0.10000E+01 volume  0.22200E+00 ppm1      3.898 ppm2      2.285
 ASSI (
   (( segid "    " and resid 106  and name HA  ))
 )(
   (( segid "    " and resid 107  and name HN  ))
 )
      3.300     3.300     0.000 peak  7211 weight  0.10000E+01 volume  0.22610E+01 ppm1      3.892 ppm2      9.099
 ASSI (
   (( segid "    " and resid 106  and name HA  ))
 )(
   (( segid "    " and resid 115  and name HA  ))
 )
      5.000     5.000     0.000 peak  5125 weight  0.10000E+01 volume  0.99600E+00 ppm1      3.893 ppm2      4.864
 ASSI (
   (( segid "    " and resid 106  and name HA  ))
 )(
   (( segid "    " and resid 115  and name HE3 ))
 )
      5.000     5.000     0.000 peak  9353 weight  0.10000E+01 volume  0.32600E+00 ppm1      3.894 ppm2      7.339
 ASSI (
   (( segid "    " and resid 106  and name HA  ))
 )(
   (( segid "    " and resid 116  and name HN  ))
 )
      6.000     6.000     0.000 peak  9350 weight  0.10000E+01 volume  0.21200E+00 ppm1      3.893 ppm2      9.736
 ASSI (
   (( segid "    " and resid 106  and name HB1 ))
 )(
   (( segid "    " and resid 85   and name HN  ))
 )
      5.000     5.000     0.000 peak  6901 weight  0.10000E+01 volume  0.43900E+00 ppm1      2.614 ppm2      8.555
 ASSI (
   (( segid "    " and resid 106  and name HB1 ))
 )(
   (( segid "    " and resid 106  and name HB2 ))
 )
      3.300     3.300     0.000 peak  9361 weight  0.10000E+01 volume  0.18060E+01 ppm1      2.617 ppm2      1.626
 ASSI (
   (( segid "    " and resid 106  and name HB1 ))
 )(
   (( segid "    " and resid 106  and name HN  ))
 )
      5.000     5.000     0.000 peak  9356 weight  0.10000E+01 volume  0.12930E+01 ppm1      2.616 ppm2      8.372
 ASSI (
   (( segid "    " and resid 106  and name HB2 ))
 )(
   (( segid "    " and resid 84   and name HA  ))
 )
      5.000     5.000     0.000 peak  5060 weight  0.10000E+01 volume  0.98100E+00 ppm1      1.614 ppm2      3.615
 ASSI (
   (( segid "    " and resid 106  and name HB2 ))
 )(
   (( segid "    " and resid 85   and name HN  ))
 )
      5.000     5.000     0.000 peak  9355 weight  0.10000E+01 volume  0.30900E+00 ppm1      1.617 ppm2      8.556
 ASSI (
   (( segid "    " and resid 106  and name HB2 ))
 )(
   (( segid "    " and resid 106  and name HA  ))
 )
      5.000     5.000     0.000 peak  9359 weight  0.10000E+01 volume  0.55700E+00 ppm1      1.617 ppm2      3.912
 ASSI (
   (( segid "    " and resid 106  and name HB2 ))
 )(
   (( segid "    " and resid 106  and name HN  ))
 )
      5.000     5.000     0.000 peak  9357 weight  0.10000E+01 volume  0.79300E+00 ppm1      1.617 ppm2      8.371
 ASSI (
   (( segid "    " and resid 107  and name HA  ))
 )(
   (( segid "    " and resid 107  and name HG2 ))
  OR 
   (( segid "    " and resid 107  and name HG1 ))
 )
      5.000     5.000     0.000 peak  9362 weight  0.10000E+01 volume  0.34000E+00 ppm1      4.926 ppm2      2.278
 ASSI (
   (( segid "    " and resid 107  and name HA  ))
 )(
   (( segid "    " and resid 107  and name HN  ))
 )
      5.000     5.000     0.000 peak  7213 weight  0.10000E+01 volume  0.44100E+00 ppm1      4.928 ppm2      9.101
 ASSI (
   (( segid "    " and resid 107  and name HA  ))
 )(
   (( segid "    " and resid 108  and name HN  ))
 )
      5.000     5.000     0.000 peak  7232 weight  0.10000E+01 volume  0.14840E+01 ppm1      4.927 ppm2      8.358
 ASSI (
   (( segid "    " and resid 107  and name HB1 ))
 )(
   (( segid "    " and resid 107  and name HA  ))
 )
      5.000     5.000     0.000 peak  5363 weight  0.10000E+01 volume  0.54900E+00 ppm1      2.043 ppm2      4.949
 ASSI (
   (( segid "    " and resid 107  and name HB2 ))
 )(
   (( segid "    " and resid 106  and name HN  ))
 )
      5.000     5.000     0.000 peak  9364 weight  0.10000E+01 volume  0.10750E+01 ppm1      1.943 ppm2      8.363
 ASSI (
   (( segid "    " and resid 107  and name HB2 ))
 )(
   (( segid "    " and resid 107  and name HA  ))
 )
      5.000     5.000     0.000 peak  5460 weight  0.10000E+01 volume  0.88600E+00 ppm1      1.943 ppm2      4.938
 ASSI (
   (( segid "    " and resid 107  and name HG2 ))
  OR 
   (( segid "    " and resid 107  and name HG1 ))
 )(
   (( segid "    " and resid 107  and name HN  ))
 )
      5.000     5.000     0.000 peak  7208 weight  0.10000E+01 volume  0.44900E+00 ppm1      2.265 ppm2      9.100
 ASSI (
   (( segid "    " and resid 107  and name HG2 ))
  OR 
   (( segid "    " and resid 107  and name HG1 ))
 )(
   (( segid "    " and resid 108  and name HN  ))
 )
      5.000     5.000     0.000 peak  7228 weight  0.10000E+01 volume  0.39600E+00 ppm1      2.260 ppm2      8.355
 ASSI (
   (( segid "    " and resid 107  and name HG2 ))
  OR 
   (( segid "    " and resid 107  and name HG1 ))
 )(
   (( segid "    " and resid 116  and name HA  ))
 )
      6.000     6.000     0.000 peak  5105 weight  0.10000E+01 volume  0.20400E+00 ppm1      2.264 ppm2      3.953
 ASSI (
   (( segid "    " and resid 108  and name HA  ))
 )(
   (( segid "    " and resid 108  and name HN  ))
 )
      5.000     5.000     0.000 peak  9368 weight  0.10000E+01 volume  0.11460E+01 ppm1      3.874 ppm2      8.361
 ASSI (
   (( segid "    " and resid 108  and name HA  ))
 )(
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )
      5.000     5.000     0.000 peak  5107 weight  0.10000E+01 volume  0.39300E+00 ppm1      3.872 ppm2      2.156
 ASSI (
   (( segid "    " and resid 108  and name HA  ))
 )(
   (( segid "    " and resid 109  and name HN  ))
 )
      2.700     2.700     0.000 peak  6451 weight  0.10000E+01 volume  0.33570E+01 ppm1      3.875 ppm2      8.055
 ASSI (
   (( segid "    " and resid 108  and name HA  ))
 )(
   (( segid "    " and resid 113  and name HB  ))
 )
      5.000     5.000     0.000 peak  9370 weight  0.10000E+01 volume  0.10730E+01 ppm1      3.874 ppm2      1.879
 ASSI (
   (( segid "    " and resid 108  and name HA  ))
 )(
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )
      3.300     3.300     0.000 peak  5757 weight  0.10000E+01 volume  0.21420E+01 ppm1      3.872 ppm2      0.501
 ASSI (
   (( segid "    " and resid 108  and name HA  ))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      5.000     5.000     0.000 peak  9367 weight  0.10000E+01 volume  0.42300E+00 ppm1      3.874 ppm2      8.871
 ASSI (
   (( segid "    " and resid 108  and name HB  ))
 )(
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9374 weight  0.10000E+01 volume  0.31900E+00 ppm1      1.855 ppm2      7.350
 ASSI (
   (( segid "    " and resid 108  and name HB  ))
 )(
   (( segid "    " and resid 107  and name HA  ))
 )
      6.000     6.000     0.000 peak  9375 weight  0.10000E+01 volume  0.23800E+00 ppm1      1.853 ppm2      4.947
 ASSI (
   (( segid "    " and resid 108  and name HB  ))
 )(
   (( segid "    " and resid 108  and name HA  ))
 )
      5.000     5.000     0.000 peak  9376 weight  0.10000E+01 volume  0.63200E+00 ppm1      1.853 ppm2      3.892
 ASSI (
   (( segid "    " and resid 108  and name HB  ))
 )(
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )
      2.700     2.700     0.000 peak  9378 weight  0.10000E+01 volume  0.31260E+01 ppm1      1.856 ppm2      0.697
 ASSI (
   (( segid "    " and resid 108  and name HB  ))
 )(
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )
      2.700     2.700     0.000 peak  9377 weight  0.10000E+01 volume  0.38990E+01 ppm1      1.857 ppm2      0.805
 ASSI (
   (( segid "    " and resid 108  and name HB  ))
 )(
   (( segid "    " and resid 109  and name HN  ))
 )
      6.000     6.000     0.000 peak  9373 weight  0.10000E+01 volume  0.29200E+00 ppm1      1.855 ppm2      8.059
 ASSI (
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )(
   (( segid "    " and resid 107  and name HA  ))
 )
      5.000     5.000     0.000 peak  4870 weight  0.10000E+01 volume  0.57600E+00 ppm1      0.696 ppm2      4.937
 ASSI (
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )(
   (( segid "    " and resid 108  and name HA  ))
 )
      3.300     3.300     0.000 peak  9385 weight  0.10000E+01 volume  0.24960E+01 ppm1      0.696 ppm2      3.880
 ASSI (
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )(
   (( segid "    " and resid 108  and name HN  ))
 )
      3.300     3.300     0.000 peak  9381 weight  0.10000E+01 volume  0.24200E+01 ppm1      0.694 ppm2      8.360
 ASSI (
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )(
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )
      5.000     5.000     0.000 peak  5748 weight  0.10000E+01 volume  0.34700E+00 ppm1      0.696 ppm2      2.118
 ASSI (
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )(
   (( segid "    " and resid 109  and name HN  ))
 )
      5.000     5.000     0.000 peak  9382 weight  0.10000E+01 volume  0.90600E+00 ppm1      0.694 ppm2      8.057
 ASSI (
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )(
   (( segid "    " and resid 113  and name HA  ))
 )
      5.000     5.000     0.000 peak  5750 weight  0.10000E+01 volume  0.40500E+00 ppm1      0.695 ppm2      5.161
 ASSI (
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )(
   (( segid "    " and resid 108  and name HA  ))
 )
      3.300     3.300     0.000 peak  9398 weight  0.10000E+01 volume  0.23860E+01 ppm1      0.790 ppm2      3.877
 ASSI (
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )(
   (( segid "    " and resid 108  and name HN  ))
 )
      5.000     5.000     0.000 peak  9391 weight  0.10000E+01 volume  0.88800E+00 ppm1      0.788 ppm2      8.360
 ASSI (
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )(
   (( segid "    " and resid 110  and name HA  ))
 )
      5.000     5.000     0.000 peak  9397 weight  0.10000E+01 volume  0.30900E+00 ppm1      0.789 ppm2      4.096
 ASSI (
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )(
   (( segid "    " and resid 112  and name HN  ))
 )
      5.000     5.000     0.000 peak  7283 weight  0.10000E+01 volume  0.61300E+00 ppm1      0.788 ppm2      7.741
 ASSI (
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )(
   (( segid "    " and resid 113  and name HA  ))
 )
      5.000     5.000     0.000 peak  5745 weight  0.10000E+01 volume  0.43100E+00 ppm1      0.791 ppm2      5.154
 ASSI (
   (( segid "    " and resid 109  and name HA  ))
 )(
   (( segid "    " and resid 109  and name HB1 ))
 )
      3.300     3.300     0.000 peak  9403 weight  0.10000E+01 volume  0.21860E+01 ppm1      4.414 ppm2      1.831
 ASSI (
   (( segid "    " and resid 109  and name HA  ))
 )(
   (( segid "    " and resid 109  and name HB2 ))
 )
      5.000     5.000     0.000 peak  9404 weight  0.10000E+01 volume  0.14680E+01 ppm1      4.411 ppm2      1.566
 ASSI (
   (( segid "    " and resid 109  and name HA  ))
 )(
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )
      3.300     3.300     0.000 peak  9402 weight  0.10000E+01 volume  0.29720E+01 ppm1      4.412 ppm2      2.152
 ASSI (
   (( segid "    " and resid 109  and name HA  ))
 )(
   (( segid "    " and resid 110  and name HN  ))
 )
      2.700     2.700     0.000 peak  9401 weight  0.10000E+01 volume  0.55400E+01 ppm1      4.413 ppm2      8.785
 ASSI (
   (( segid "    " and resid 109  and name HB1 ))
 )(
   (( segid "    " and resid 108  and name HA  ))
 )
      5.000     5.000     0.000 peak  9409 weight  0.10000E+01 volume  0.60400E+00 ppm1      1.832 ppm2      3.876
 ASSI (
   (( segid "    " and resid 109  and name HB1 ))
 )(
   (( segid "    " and resid 109  and name HB2 ))
 )
      2.700     2.700     0.000 peak  9413 weight  0.10000E+01 volume  0.66300E+01 ppm1      1.832 ppm2      1.564
 ASSI (
   (( segid "    " and resid 109  and name HB1 ))
 )(
   (( segid "    " and resid 109  and name HN  ))
 )
      5.000     5.000     0.000 peak  9405 weight  0.10000E+01 volume  0.72700E+00 ppm1      1.831 ppm2      8.069
 ASSI (
   (( segid "    " and resid 109  and name HB1 ))
 )(
   (( segid "    " and resid 110  and name HN  ))
 )
      5.000     5.000     0.000 peak  7258 weight  0.10000E+01 volume  0.79600E+00 ppm1      1.831 ppm2      8.781
 ASSI (
   (( segid "    " and resid 109  and name HB2 ))
 )(
   (( segid "    " and resid 108  and name HA  ))
 )
      6.000     6.000     0.000 peak  9410 weight  0.10000E+01 volume  0.26600E+00 ppm1      1.550 ppm2      3.878
 ASSI (
   (( segid "    " and resid 109  and name HB2 ))
 )(
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )
      3.300     3.300     0.000 peak  9411 weight  0.10000E+01 volume  0.15890E+01 ppm1      1.555 ppm2      2.144
 ASSI (
   (( segid "    " and resid 109  and name HB2 ))
 )(
   (( segid "    " and resid 109  and name HN  ))
 )
      5.000     5.000     0.000 peak  9406 weight  0.10000E+01 volume  0.77900E+00 ppm1      1.551 ppm2      8.070
 ASSI (
   (( segid "    " and resid 109  and name HB2 ))
 )(
   (( segid "    " and resid 110  and name HN  ))
 )
      5.000     5.000     0.000 peak  7256 weight  0.10000E+01 volume  0.48600E+00 ppm1      1.551 ppm2      8.779
 ASSI (
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )(
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )
      6.000     6.000     0.000 peak  9421 weight  0.10000E+01 volume  0.27800E+00 ppm1      2.141 ppm2      0.796
 ASSI (
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )(
   (( segid "    " and resid 109  and name HE21))
 )
      3.300     3.300     0.000 peak  9417 weight  0.10000E+01 volume  0.20190E+01 ppm1      2.143 ppm2      7.678
 ASSI (
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )(
   (( segid "    " and resid 109  and name HE22))
 )
      5.000     5.000     0.000 peak  5753 weight  0.10000E+01 volume  0.10960E+01 ppm1      2.144 ppm2      6.136
 ASSI (
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )(
   (( segid "    " and resid 109  and name HN  ))
 )
      5.000     5.000     0.000 peak  9416 weight  0.10000E+01 volume  0.92500E+00 ppm1      2.143 ppm2      8.054
 ASSI (
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )(
   (( segid "    " and resid 110  and name HN  ))
 )
      5.000     5.000     0.000 peak  9415 weight  0.10000E+01 volume  0.63600E+00 ppm1      2.141 ppm2      8.766
 ASSI (
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )(
   (( segid "    " and resid 113  and name HA  ))
 )
      5.000     5.000     0.000 peak  5752 weight  0.10000E+01 volume  0.30200E+00 ppm1      2.144 ppm2      5.162
 ASSI (
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      5.000     5.000     0.000 peak  9414 weight  0.10000E+01 volume  0.86200E+00 ppm1      2.142 ppm2      8.852
 ASSI (
   (( segid "    " and resid 110  and name HA  ))
 )(
   (( segid "    " and resid 110  and name HB1 ))
 )
      3.300     3.300     0.000 peak  9424 weight  0.10000E+01 volume  0.15700E+01 ppm1      4.105 ppm2      2.788
 ASSI (
   (( segid "    " and resid 110  and name HA  ))
 )(
   (( segid "    " and resid 110  and name HB2 ))
 )
      3.300     3.300     0.000 peak  9426 weight  0.10000E+01 volume  0.19140E+01 ppm1      4.105 ppm2      2.629
 ASSI (
   (( segid "    " and resid 110  and name HA  ))
 )(
   (( segid "    " and resid 111  and name HN  ))
 )
      3.300     3.300     0.000 peak  9423 weight  0.10000E+01 volume  0.21310E+01 ppm1      4.102 ppm2      8.105
 ASSI (
   (( segid "    " and resid 110  and name HB1 ))
 )(
   (( segid "    " and resid 110  and name HN  ))
 )
      3.300     3.300     0.000 peak  7263 weight  0.10000E+01 volume  0.16080E+01 ppm1      2.774 ppm2      8.779
 ASSI (
   (( segid "    " and resid 110  and name HB1 ))
 )(
   (( segid "    " and resid 111  and name HN  ))
 )
      3.300     3.300     0.000 peak  7320 weight  0.10000E+01 volume  0.24020E+01 ppm1      2.778 ppm2      8.102
 ASSI (
   (( segid "    " and resid 110  and name HB1 ))
 )(
   (( segid "    " and resid 112  and name HN  ))
 )
      6.000     6.000     0.000 peak  9427 weight  0.10000E+01 volume  0.27000E+00 ppm1      2.777 ppm2      7.727
 ASSI (
   (( segid "    " and resid 110  and name HB2 ))
 )(
   (( segid "    " and resid 110  and name HN  ))
 )
      5.000     5.000     0.000 peak  7261 weight  0.10000E+01 volume  0.10180E+01 ppm1      2.609 ppm2      8.780
 ASSI (
   (( segid "    " and resid 110  and name HB2 ))
 )(
   (( segid "    " and resid 111  and name HN  ))
 )
      3.300     3.300     0.000 peak  6751 weight  0.10000E+01 volume  0.15310E+01 ppm1      2.609 ppm2      8.102
 ASSI (
   (( segid "    " and resid 110  and name HB2 ))
 )(
   (( segid "    " and resid 112  and name HN  ))
 )
      6.000     6.000     0.000 peak  7289 weight  0.10000E+01 volume  0.11300E+00 ppm1      2.612 ppm2      7.732
 ASSI (
   (( segid "    " and resid 111  and name HA  ))
 )(
   (( segid "    " and resid 110  and name HB1 ))
 )
      5.000     5.000     0.000 peak  5113 weight  0.10000E+01 volume  0.45500E+00 ppm1      4.305 ppm2      2.781
 ASSI (
   (( segid "    " and resid 111  and name HA  ))
 )(
   (( segid "    " and resid 111  and name HB1 ))
 )
      3.300     3.300     0.000 peak  9432 weight  0.10000E+01 volume  0.23930E+01 ppm1      4.306 ppm2      1.977
 ASSI (
   (( segid "    " and resid 111  and name HA  ))
 )(
   (( segid "    " and resid 111  and name HB2 ))
 )
      2.700     2.700     0.000 peak  9433 weight  0.10000E+01 volume  0.38650E+01 ppm1      4.305 ppm2      1.691
 ASSI (
   (( segid "    " and resid 111  and name HA  ))
 )(
   (( segid "    " and resid 111  and name HD2 ))
  OR 
   (( segid "    " and resid 111  and name HD1 ))
 )
      5.000     5.000     0.000 peak  9431 weight  0.10000E+01 volume  0.57700E+00 ppm1      4.305 ppm2      3.127
 ASSI (
   (( segid "    " and resid 111  and name HA  ))
 )(
   (( segid "    " and resid 111  and name HG2 ))
  OR 
   (( segid "    " and resid 111  and name HG1 ))
 )
      3.300     3.300     0.000 peak  9434 weight  0.10000E+01 volume  0.26560E+01 ppm1      4.307 ppm2      1.552
 ASSI (
   (( segid "    " and resid 111  and name HA  ))
 )(
   (( segid "    " and resid 111  and name HN  ))
 )
      2.700     2.700     0.000 peak  9430 weight  0.10000E+01 volume  0.50510E+01 ppm1      4.305 ppm2      8.102
 ASSI (
   (( segid "    " and resid 111  and name HA  ))
 )(
   (( segid "    " and resid 112  and name HN  ))
 )
      5.000     5.000     0.000 peak  7293 weight  0.10000E+01 volume  0.87200E+00 ppm1      4.300 ppm2      7.731
 ASSI (
   (( segid "    " and resid 111  and name HB1 ))
 )(
   (( segid "    " and resid 111  and name HD2 ))
  OR 
   (( segid "    " and resid 111  and name HD1 ))
 )
      6.000     6.000     0.000 peak  9439 weight  0.10000E+01 volume  0.16100E+00 ppm1      1.967 ppm2      3.124
 ASSI (
   (( segid "    " and resid 111  and name HB1 ))
 )(
   (( segid "    " and resid 111  and name HN  ))
 )
      5.000     5.000     0.000 peak  9435 weight  0.10000E+01 volume  0.67800E+00 ppm1      1.967 ppm2      8.102
 ASSI (
   (( segid "    " and resid 111  and name HB2 ))
 )(
   (( segid "    " and resid 111  and name HD2 ))
  OR 
   (( segid "    " and resid 111  and name HD1 ))
 )
      6.000     6.000     0.000 peak  9440 weight  0.10000E+01 volume  0.17200E+00 ppm1      1.677 ppm2      3.124
 ASSI (
   (( segid "    " and resid 111  and name HB2 ))
 )(
   (( segid "    " and resid 111  and name HN  ))
 )
      3.300     3.300     0.000 peak  9436 weight  0.10000E+01 volume  0.22320E+01 ppm1      1.677 ppm2      8.102
 ASSI (
   (( segid "    " and resid 111  and name HG2 ))
  OR 
   (( segid "    " and resid 111  and name HG1 ))
 )(
   (( segid "    " and resid 111  and name HB1 ))
 )
      2.700     2.700     0.000 peak  9443 weight  0.10000E+01 volume  0.34460E+01 ppm1      1.533 ppm2      1.980
 ASSI (
   (( segid "    " and resid 111  and name HG2 ))
  OR 
   (( segid "    " and resid 111  and name HG1 ))
 )(
   (( segid "    " and resid 111  and name HN  ))
 )
      3.300     3.300     0.000 peak  9441 weight  0.10000E+01 volume  0.21060E+01 ppm1      1.533 ppm2      8.103
 ASSI (
   (( segid "    " and resid 112  and name HA1 ))
 )(
   (( segid "    " and resid 113  and name HN  ))
 )
      3.300     3.300     0.000 peak  5115 weight  0.10000E+01 volume  0.27370E+01 ppm1      4.015 ppm2      8.148
 ASSI (
   (( segid "    " and resid 112  and name HA2 ))
 )(
   (( segid "    " and resid 113  and name HN  ))
 )
      3.300     3.300     0.000 peak  5935 weight  0.10000E+01 volume  0.28350E+01 ppm1      3.936 ppm2      8.147
 ASSI (
   (( segid "    " and resid 113  and name HA  ))
 )(
   (( segid "    " and resid 108  and name HA  ))
 )
      3.300     3.300     0.000 peak  9449 weight  0.10000E+01 volume  0.17920E+01 ppm1      5.148 ppm2      3.879
 ASSI (
   (( segid "    " and resid 113  and name HA  ))
 )(
   (( segid "    " and resid 113  and name HB  ))
 )
      5.000     5.000     0.000 peak  9450 weight  0.10000E+01 volume  0.10970E+01 ppm1      5.148 ppm2      1.890
 ASSI (
   (( segid "    " and resid 113  and name HA  ))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      3.300     3.300     0.000 peak  7300 weight  0.10000E+01 volume  0.18280E+01 ppm1      5.147 ppm2      8.869
 ASSI (
   (( segid "    " and resid 113  and name HB  ))
 )(
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )
      2.700     2.700     0.000 peak  9455 weight  0.10000E+01 volume  0.44010E+01 ppm1      1.883 ppm2      0.499
 ASSI (
   (( segid "    " and resid 113  and name HB  ))
 )(
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )
      3.300     3.300     0.000 peak  9457 weight  0.10000E+01 volume  0.21670E+01 ppm1      1.884 ppm2      0.419
 ASSI (
   (( segid "    " and resid 113  and name HB  ))
 )(
   (( segid "    " and resid 113  and name HN  ))
 )
      6.000     6.000     0.000 peak  9453 weight  0.10000E+01 volume  0.23000E+00 ppm1      1.883 ppm2      8.143
 ASSI (
   (( segid "    " and resid 113  and name HB  ))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      5.000     5.000     0.000 peak  9452 weight  0.10000E+01 volume  0.11560E+01 ppm1      1.883 ppm2      8.875
 ASSI (
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )(
   (( segid "    " and resid 63   and name HA  ))
 )
      5.000     5.000     0.000 peak  9463 weight  0.10000E+01 volume  0.36400E+00 ppm1      0.498 ppm2      4.158
 ASSI (
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )(
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9461 weight  0.10000E+01 volume  0.71500E+00 ppm1      0.497 ppm2      6.721
 ASSI (
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )(
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )
      6.000     6.000     0.000 peak  9460 weight  0.10000E+01 volume  0.27600E+00 ppm1      0.497 ppm2      7.352
 ASSI (
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )(
   (( segid "    " and resid 84   and name HN  ))
 )
      5.000     5.000     0.000 peak  6885 weight  0.10000E+01 volume  0.54500E+00 ppm1      0.500 ppm2      8.155
 ASSI (
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )(
   (( segid "    " and resid 108  and name HN  ))
 )
      5.000     5.000     0.000 peak  9459 weight  0.10000E+01 volume  0.30300E+00 ppm1      0.497 ppm2      8.343
 ASSI (
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )(
   (( segid "    " and resid 109  and name HN  ))
 )
      5.000     5.000     0.000 peak  7238 weight  0.10000E+01 volume  0.38400E+00 ppm1      0.499 ppm2      8.046
 ASSI (
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )(
   (( segid "    " and resid 112  and name HN  ))
 )
      6.000     6.000     0.000 peak  6633 weight  0.10000E+01 volume  0.18900E+00 ppm1      0.497 ppm2      7.733
 ASSI (
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )(
   (( segid "    " and resid 113  and name HA  ))
 )
      3.300     3.300     0.000 peak  9462 weight  0.10000E+01 volume  0.16620E+01 ppm1      0.498 ppm2      5.165
 ASSI (
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )(
   (( segid "    " and resid 114  and name HA2 ))
 )
      5.000     5.000     0.000 peak  9466 weight  0.10000E+01 volume  0.37700E+00 ppm1      0.499 ppm2      3.706
 ASSI (
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      5.000     5.000     0.000 peak  9458 weight  0.10000E+01 volume  0.72200E+00 ppm1      0.499 ppm2      8.876
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 63   and name HD1 ))
 )
      3.300     3.300     0.000 peak  5759 weight  0.10000E+01 volume  0.18760E+01 ppm1      0.419 ppm2      1.457
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 63   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9478 weight  0.10000E+01 volume  0.39800E+00 ppm1      0.419 ppm2      2.706
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 65   and name HN  ))
 )
      6.000     6.000     0.000 peak  6637 weight  0.10000E+01 volume  0.28600E+00 ppm1      0.420 ppm2      8.545
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 66   and name HN  ))
 )
      5.000     5.000     0.000 peak  6645 weight  0.10000E+01 volume  0.50700E+00 ppm1      0.419 ppm2      8.357
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 108  and name HA  ))
 )
      5.000     5.000     0.000 peak  9476 weight  0.10000E+01 volume  0.71000E+00 ppm1      0.418 ppm2      3.878
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 112  and name HN  ))
 )
      5.000     5.000     0.000 peak  6631 weight  0.10000E+01 volume  0.46700E+00 ppm1      0.418 ppm2      7.729
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 113  and name HA  ))
 )
      5.000     5.000     0.000 peak  9473 weight  0.10000E+01 volume  0.43800E+00 ppm1      0.418 ppm2      5.171
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 113  and name HN  ))
 )
      3.300     3.300     0.000 peak  9469 weight  0.10000E+01 volume  0.19530E+01 ppm1      0.419 ppm2      8.148
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 114  and name HA2 ))
 )
      6.000     6.000     0.000 peak  9477 weight  0.10000E+01 volume  0.27100E+00 ppm1      0.418 ppm2      3.716
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      5.000     5.000     0.000 peak  9468 weight  0.10000E+01 volume  0.50400E+00 ppm1      0.419 ppm2      8.879
 ASSI (
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )(
   (( segid "    " and resid 115  and name HN  ))
 )
      6.000     6.000     0.000 peak  9470 weight  0.10000E+01 volume  0.25200E+00 ppm1      0.418 ppm2      8.010
 ASSI (
   (( segid "    " and resid 114  and name HA1 ))
 )(
   (( segid "    " and resid 114  and name HA2 ))
 )
      2.700     2.700     0.000 peak  9484 weight  0.10000E+01 volume  0.54160E+01 ppm1      3.853 ppm2      3.709
 ASSI (
   (( segid "    " and resid 114  and name HA1 ))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      5.000     5.000     0.000 peak  9482 weight  0.10000E+01 volume  0.66700E+00 ppm1      3.850 ppm2      8.873
 ASSI (
   (( segid "    " and resid 114  and name HA1 ))
 )(
   (( segid "    " and resid 115  and name HN  ))
 )
      3.300     3.300     0.000 peak  6933 weight  0.10000E+01 volume  0.19290E+01 ppm1      3.851 ppm2      8.009
 ASSI (
   (( segid "    " and resid 114  and name HA2 ))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      5.000     5.000     0.000 peak  9483 weight  0.10000E+01 volume  0.53000E+00 ppm1      3.702 ppm2      8.874
 ASSI (
   (( segid "    " and resid 115  and name HA  ))
 )(
   (( segid "    " and resid 115  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9487 weight  0.10000E+01 volume  0.95400E+00 ppm1      4.850 ppm2      3.521
 ASSI (
   (( segid "    " and resid 115  and name HA  ))
 )(
   (( segid "    " and resid 115  and name HB2 ))
 )
      3.300     3.300     0.000 peak  9488 weight  0.10000E+01 volume  0.16750E+01 ppm1      4.847 ppm2      2.797
 ASSI (
   (( segid "    " and resid 115  and name HA  ))
 )(
   (( segid "    " and resid 115  and name HE3 ))
 )
      5.000     5.000     0.000 peak  7459 weight  0.10000E+01 volume  0.58600E+00 ppm1      4.850 ppm2      7.327
 ASSI (
   (( segid "    " and resid 115  and name HA  ))
 )(
   (( segid "    " and resid 115  and name HN  ))
 )
      2.700     2.700     0.000 peak  9486 weight  0.10000E+01 volume  0.33070E+01 ppm1      4.850 ppm2      8.007
 ASSI (
   (( segid "    " and resid 115  and name HB1 ))
 )(
   (( segid "    " and resid 115  and name HB2 ))
 )
      3.300     3.300     0.000 peak  7462 weight  0.10000E+01 volume  0.21390E+01 ppm1      3.513 ppm2      2.796
 ASSI (
   (( segid "    " and resid 115  and name HB1 ))
 )(
   (( segid "    " and resid 115  and name HE3 ))
 )
      5.000     5.000     0.000 peak  6663 weight  0.10000E+01 volume  0.51600E+00 ppm1      3.511 ppm2      7.313
 ASSI (
   (( segid "    " and resid 115  and name HB1 ))
 )(
   (( segid "    " and resid 115  and name HN  ))
 )
      5.000     5.000     0.000 peak  7456 weight  0.10000E+01 volume  0.74600E+00 ppm1      3.513 ppm2      8.011
 ASSI (
   (( segid "    " and resid 115  and name HB1 ))
 )(
   (( segid "    " and resid 116  and name HN  ))
 )
      6.000     6.000     0.000 peak  9489 weight  0.10000E+01 volume  0.22100E+00 ppm1      3.513 ppm2      9.726
 ASSI (
   (( segid "    " and resid 115  and name HB2 ))
 )(
   (( segid "    " and resid 115  and name HE3 ))
 )
      5.000     5.000     0.000 peak  6447 weight  0.10000E+01 volume  0.85900E+00 ppm1      2.782 ppm2      7.303
 ASSI (
   (( segid "    " and resid 115  and name HB2 ))
 )(
   (( segid "    " and resid 116  and name HN  ))
 )
      6.000     6.000     0.000 peak  9490 weight  0.10000E+01 volume  0.17700E+00 ppm1      2.782 ppm2      9.729
 ASSI (
   (( segid "    " and resid 115  and name HD1 ))
 )(
   (( segid "    " and resid 115  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9498 weight  0.10000E+01 volume  0.79000E+00 ppm1      7.270 ppm2      3.504
 ASSI (
   (( segid "    " and resid 115  and name HD1 ))
 )(
   (( segid "    " and resid 115  and name HB2 ))
 )
      5.000     5.000     0.000 peak  9497 weight  0.10000E+01 volume  0.68800E+00 ppm1      7.270 ppm2      2.799
 ASSI (
   (( segid "    " and resid 115  and name HD1 ))
 )(
   (( segid "    " and resid 115  and name HN  ))
 )
      5.000     5.000     0.000 peak  6669 weight  0.10000E+01 volume  0.33100E+00 ppm1      7.271 ppm2      8.017
 ASSI (
   (( segid "    " and resid 115  and name HE3 ))
 )(
   (( segid "    " and resid 115  and name HZ3 ))
 )
      5.000     5.000     0.000 peak  6728 weight  0.10000E+01 volume  0.55400E+00 ppm1      7.325 ppm2      6.845
 ASSI (
   (( segid "    " and resid 115  and name HH2 ))
 )(
   (( segid "    " and resid 115  and name HZ2 ))
 )
      5.000     5.000     0.000 peak  6724 weight  0.10000E+01 volume  0.30600E+00 ppm1      6.766 ppm2      7.166
 ASSI (
   (( segid "    " and resid 115  and name HZ2 ))
 )(
   (( segid "    " and resid 68   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7591 weight  0.10000E+01 volume  0.33700E+00 ppm1      7.160 ppm2      3.220
 ASSI (
   (( segid "    " and resid 115  and name HZ2 ))
 )(
   (( segid "    " and resid 68   and name HD2 ))
 )
      5.000     5.000     0.000 peak  9502 weight  0.10000E+01 volume  0.30800E+00 ppm1      7.162 ppm2      2.460
 ASSI (
   (( segid "    " and resid 115  and name HZ2 ))
 )(
   (( segid "    " and resid 68   and name HG2 ))
 )
      5.000     5.000     0.000 peak  9503 weight  0.10000E+01 volume  0.32600E+00 ppm1      7.161 ppm2      1.010
 ASSI (
   (( segid "    " and resid 115  and name HZ2 ))
 )(
   (( segid "    " and resid 115  and name HE3 ))
 )
      6.000     6.000     0.000 peak  7465 weight  0.10000E+01 volume  0.28700E+00 ppm1      7.158 ppm2      7.326
 ASSI (
   (( segid "    " and resid 115  and name HZ3 ))
 )(
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
 )
      6.000     6.000     0.000 peak  9505 weight  0.10000E+01 volume  0.22000E+00 ppm1      6.846 ppm2      0.480
 ASSI (
   (( segid "    " and resid 116  and name HA  ))
 )(
   (( segid "    " and resid 107  and name HB1 ))
 )
      6.000     6.000     0.000 peak  9515 weight  0.10000E+01 volume  0.21300E+00 ppm1      3.965 ppm2      2.029
 ASSI (
   (( segid "    " and resid 116  and name HA  ))
 )(
   (( segid "    " and resid 109  and name HE21))
 )
      5.000     5.000     0.000 peak  9509 weight  0.10000E+01 volume  0.42400E+00 ppm1      3.964 ppm2      7.679
 ASSI (
   (( segid "    " and resid 116  and name HA  ))
 )(
   (( segid "    " and resid 116  and name HG  ))
 )
      5.000     5.000     0.000 peak  9513 weight  0.10000E+01 volume  0.41900E+00 ppm1      3.965 ppm2      4.628
 ASSI (
   (( segid "    " and resid 116  and name HA  ))
 )(
   (( segid "    " and resid 116  and name HN  ))
 )
      5.000     5.000     0.000 peak  9507 weight  0.10000E+01 volume  0.53200E+00 ppm1      3.966 ppm2      9.723
 ASSI (
   (( segid "    " and resid 116  and name HA  ))
 )(
   (( segid "    " and resid 117  and name HN  ))
 )
      6.000     6.000     0.000 peak  9508 weight  0.10000E+01 volume  0.22200E+00 ppm1      3.963 ppm2      7.987
 ASSI (
   (( segid "    " and resid 116  and name HB1 ))
 )(
   (( segid "    " and resid 116  and name HG  ))
 )
      5.000     5.000     0.000 peak  9518 weight  0.10000E+01 volume  0.92600E+00 ppm1      3.857 ppm2      4.626
 ASSI (
   (( segid "    " and resid 116  and name HB1 ))
 )(
   (( segid "    " and resid 116  and name HN  ))
 )
      6.000     6.000     0.000 peak  9516 weight  0.10000E+01 volume  0.21100E+00 ppm1      3.856 ppm2      9.744
 ASSI (
   (( segid "    " and resid 116  and name HB2 ))
 )(
   (( segid "    " and resid 116  and name HA  ))
 )
      2.700     2.700     0.000 peak  9520 weight  0.10000E+01 volume  0.30120E+01 ppm1      3.686 ppm2      3.974
 ASSI (
   (( segid "    " and resid 116  and name HB2 ))
 )(
   (( segid "    " and resid 116  and name HB1 ))
 )
      2.700     2.700     0.000 peak  9521 weight  0.10000E+01 volume  0.30520E+01 ppm1      3.685 ppm2      3.861
 ASSI (
   (( segid "    " and resid 116  and name HB2 ))
 )(
   (( segid "    " and resid 116  and name HG  ))
 )
      5.000     5.000     0.000 peak  9519 weight  0.10000E+01 volume  0.59600E+00 ppm1      3.686 ppm2      4.627
 ASSI (
   (( segid "    " and resid 116  and name HB2 ))
 )(
   (( segid "    " and resid 116  and name HN  ))
 )
      6.000     6.000     0.000 peak  9517 weight  0.10000E+01 volume  0.23600E+00 ppm1      3.687 ppm2      9.743
 ASSI (
   (( segid "    " and resid 117  and name HA  ))
 )(
   (( segid "    " and resid 117  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9524 weight  0.10000E+01 volume  0.70400E+00 ppm1      5.337 ppm2      3.373
 ASSI (
   (( segid "    " and resid 117  and name HA  ))
 )(
   (( segid "    " and resid 117  and name HB2 ))
 )
      5.000     5.000     0.000 peak  9525 weight  0.10000E+01 volume  0.49400E+00 ppm1      5.336 ppm2      3.150
 ASSI (
   (( segid "    " and resid 117  and name HA  ))
 )(
   (( segid "    " and resid 118  and name HD1 ))
 )
      3.300     3.300     0.000 peak  9523 weight  0.10000E+01 volume  0.22540E+01 ppm1      5.336 ppm2      3.876
 ASSI (
   (( segid "    " and resid 117  and name HA  ))
 )(
   (( segid "    " and resid 118  and name HD2 ))
 )
      3.300     3.300     0.000 peak  5126 weight  0.10000E+01 volume  0.23980E+01 ppm1      5.335 ppm2      3.785
 ASSI (
   (( segid "    " and resid 117  and name HA  ))
 )(
   (( segid "    " and resid 118  and name HG1 ))
 )
      5.000     5.000     0.000 peak  5129 weight  0.10000E+01 volume  0.39700E+00 ppm1      5.338 ppm2      2.036
 ASSI (
   (( segid "    " and resid 117  and name HB1 ))
 )(
   (( segid "    " and resid 117  and name HB2 ))
 )
      2.700     2.700     0.000 peak  9535 weight  0.10000E+01 volume  0.31720E+01 ppm1      3.351 ppm2      3.129
 ASSI (
   (( segid "    " and resid 117  and name HB1 ))
 )(
   (( segid "    " and resid 118  and name HA  ))
 )
      6.000     6.000     0.000 peak  5470 weight  0.10000E+01 volume  0.28800E+00 ppm1      3.355 ppm2      4.598
 ASSI (
   (( segid "    " and resid 117  and name HB1 ))
 )(
   (( segid "    " and resid 118  and name HD1 ))
 )
      5.000     5.000     0.000 peak  9532 weight  0.10000E+01 volume  0.40100E+00 ppm1      3.353 ppm2      3.881
 ASSI (
   (( segid "    " and resid 117  and name HB1 ))
 )(
   (( segid "    " and resid 118  and name HD2 ))
 )
      5.000     5.000     0.000 peak  5474 weight  0.10000E+01 volume  0.61700E+00 ppm1      3.351 ppm2      3.783
 ASSI (
   (( segid "    " and resid 117  and name HB2 ))
 )(
   (( segid "    " and resid 117  and name HN  ))
 )
      5.000     5.000     0.000 peak  9527 weight  0.10000E+01 volume  0.40500E+00 ppm1      3.130 ppm2      7.963
 ASSI (
   (( segid "    " and resid 117  and name HB2 ))
 )(
   (( segid "    " and resid 118  and name HA  ))
 )
      5.000     5.000     0.000 peak  5472 weight  0.10000E+01 volume  0.38900E+00 ppm1      3.123 ppm2      4.597
 ASSI (
   (( segid "    " and resid 117  and name HB2 ))
 )(
   (( segid "    " and resid 118  and name HD1 ))
 )
      5.000     5.000     0.000 peak  9533 weight  0.10000E+01 volume  0.68400E+00 ppm1      3.129 ppm2      3.880
 ASSI (
   (( segid "    " and resid 118  and name HB1 ))
 )(
   (( segid "    " and resid 118  and name HA  ))
 )
      3.300     3.300     0.000 peak  5516 weight  0.10000E+01 volume  0.15720E+01 ppm1      2.240 ppm2      4.580
 ASSI (
   (( segid "    " and resid 118  and name HB1 ))
 )(
   (( segid "    " and resid 119  and name HN  ))
 )
      5.000     5.000     0.000 peak  7331 weight  0.10000E+01 volume  0.63600E+00 ppm1      2.241 ppm2      7.863
 ASSI (
   (( segid "    " and resid 118  and name HB2 ))
 )(
   (( segid "    " and resid 118  and name HA  ))
 )
      3.300     3.300     0.000 peak  6712 weight  0.10000E+01 volume  0.25820E+01 ppm1      2.010 ppm2      4.580
 ASSI (
   (( segid "    " and resid 118  and name HB2 ))
 )(
   (( segid "    " and resid 119  and name HN  ))
 )
      3.300     3.300     0.000 peak  9537 weight  0.10000E+01 volume  0.19800E+01 ppm1      2.010 ppm2      7.865
 ASSI (
   (( segid "    " and resid 118  and name HD1 ))
 )(
   (( segid "    " and resid 118  and name HG1 ))
 )
      3.300     3.300     0.000 peak  9545 weight  0.10000E+01 volume  0.17980E+01 ppm1      3.861 ppm2      2.040
 ASSI (
   (( segid "    " and resid 118  and name HD1 ))
 )(
   (( segid "    " and resid 118  and name HG2 ))
 )
      5.000     5.000     0.000 peak  9546 weight  0.10000E+01 volume  0.14410E+01 ppm1      3.860 ppm2      1.826
 ASSI (
   (( segid "    " and resid 118  and name HD2 ))
 )(
   (( segid "    " and resid 117  and name HB2 ))
 )
      6.000     6.000     0.000 peak  9543 weight  0.10000E+01 volume  0.28700E+00 ppm1      3.766 ppm2      3.130
 ASSI (
   (( segid "    " and resid 118  and name HD2 ))
 )(
   (( segid "    " and resid 118  and name HG1 ))
 )
      3.300     3.300     0.000 peak  9548 weight  0.10000E+01 volume  0.17600E+01 ppm1      3.764 ppm2      2.040
 ASSI (
   (( segid "    " and resid 118  and name HD2 ))
 )(
   (( segid "    " and resid 118  and name HG2 ))
 )
      5.000     5.000     0.000 peak  9547 weight  0.10000E+01 volume  0.14790E+01 ppm1      3.767 ppm2      1.826
 ASSI (
   (( segid "    " and resid 118  and name HG1 ))
 )(
   (( segid "    " and resid 118  and name HA  ))
 )
      5.000     5.000     0.000 peak  7511 weight  0.10000E+01 volume  0.56100E+00 ppm1      2.028 ppm2      4.581
 ASSI (
   (( segid "    " and resid 118  and name HG1 ))
 )(
   (( segid "    " and resid 118  and name HB1 ))
 )
      3.300     3.300     0.000 peak  7510 weight  0.10000E+01 volume  0.18440E+01 ppm1      2.027 ppm2      2.248
 ASSI (
   (( segid "    " and resid 118  and name HG1 ))
 )(
   (( segid "    " and resid 118  and name HG2 ))
 )
      2.700     2.700     0.000 peak  7508 weight  0.10000E+01 volume  0.62930E+01 ppm1      2.024 ppm2      1.811
 ASSI (
   (( segid "    " and resid 118  and name HG1 ))
 )(
   (( segid "    " and resid 119  and name HN  ))
 )
      6.000     6.000     0.000 peak  7513 weight  0.10000E+01 volume  0.23100E+00 ppm1      2.029 ppm2      7.867
 ASSI (
   (( segid "    " and resid 118  and name HG2 ))
 )(
   (( segid "    " and resid 117  and name HA  ))
 )
      5.000     5.000     0.000 peak  5132 weight  0.10000E+01 volume  0.30500E+00 ppm1      1.811 ppm2      5.345
 ASSI (
   (( segid "    " and resid 118  and name HG2 ))
 )(
   (( segid "    " and resid 118  and name HA  ))
 )
      5.000     5.000     0.000 peak  7512 weight  0.10000E+01 volume  0.88100E+00 ppm1      1.811 ppm2      4.581
 ASSI (
   (( segid "    " and resid 118  and name HG2 ))
 )(
   (( segid "    " and resid 118  and name HB1 ))
 )
      5.000     5.000     0.000 peak  7509 weight  0.10000E+01 volume  0.12840E+01 ppm1      1.811 ppm2      2.253
 ASSI (
   (( segid "    " and resid 119  and name HA  ))
 )(
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )
      5.000     5.000     0.000 peak  8696 weight  0.10000E+01 volume  0.58100E+00 ppm1      3.350 ppm2      0.589
 ASSI (
   (( segid "    " and resid 119  and name HA  ))
 )(
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )
      5.000     5.000     0.000 peak  8713 weight  0.10000E+01 volume  0.10540E+01 ppm1      3.349 ppm2      0.478
 ASSI (
   (( segid "    " and resid 119  and name HA  ))
 )(
   (( segid "    " and resid 71   and name HG  ))
 )
      5.000     5.000     0.000 peak  5140 weight  0.10000E+01 volume  0.31300E+00 ppm1      3.349 ppm2      0.997
 ASSI (
   (( segid "    " and resid 119  and name HA  ))
 )(
   (( segid "    " and resid 118  and name HA  ))
 )
      6.000     6.000     0.000 peak  9550 weight  0.10000E+01 volume  0.64000E-01 ppm1      3.352 ppm2      4.583
 ASSI (
   (( segid "    " and resid 119  and name HA  ))
 )(
   (( segid "    " and resid 119  and name HB2 ))
 )
      5.000     5.000     0.000 peak  9553 weight  0.10000E+01 volume  0.79200E+00 ppm1      3.350 ppm2      1.224
 ASSI (
   (( segid "    " and resid 119  and name HA  ))
 )(
   (( segid "    " and resid 119  and name HN  ))
 )
      5.000     5.000     0.000 peak  7333 weight  0.10000E+01 volume  0.47400E+00 ppm1      3.351 ppm2      7.864
 ASSI (
   (( segid "    " and resid 119  and name HA  ))
 )(
   (( segid "    " and resid 120  and name HD1 ))
 )
      5.000     5.000     0.000 peak  5133 weight  0.10000E+01 volume  0.14910E+01 ppm1      3.351 ppm2      2.192
 ASSI (
   (( segid "    " and resid 119  and name HA  ))
 )(
   (( segid "    " and resid 120  and name HD2 ))
 )
      3.300     3.300     0.000 peak  5138 weight  0.10000E+01 volume  0.17720E+01 ppm1      3.351 ppm2      2.046
 ASSI (
   (( segid "    " and resid 119  and name HB1 ))
 )(
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
 )
      3.300     3.300     0.000 peak  9564 weight  0.10000E+01 volume  0.15330E+01 ppm1      1.325 ppm2      0.460
 ASSI (
   (( segid "    " and resid 119  and name HB1 ))
 )(
   (( segid "    " and resid 119  and name HN  ))
 )
      3.300     3.300     0.000 peak  6804 weight  0.10000E+01 volume  0.18210E+01 ppm1      1.324 ppm2      7.863
 ASSI (
   (( segid "    " and resid 119  and name HB2 ))
 )(
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )
      5.000     5.000     0.000 peak  9566 weight  0.10000E+01 volume  0.13890E+01 ppm1      1.210 ppm2      0.552
 ASSI (
   (( segid "    " and resid 119  and name HB2 ))
 )(
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
 )
      3.300     3.300     0.000 peak  9565 weight  0.10000E+01 volume  0.16810E+01 ppm1      1.211 ppm2      0.461
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 71   and name HN  ))
 )
      5.000     5.000     0.000 peak  9582 weight  0.10000E+01 volume  0.38900E+00 ppm1      0.554 ppm2      8.289
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 118  and name HG2 ))
 )
      5.000     5.000     0.000 peak  9593 weight  0.10000E+01 volume  0.35700E+00 ppm1      0.556 ppm2      1.822
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 119  and name HA  ))
 )
      5.000     5.000     0.000 peak  5765 weight  0.10000E+01 volume  0.98500E+00 ppm1      0.555 ppm2      3.362
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 119  and name HB1 ))
 )
      2.700     2.700     0.000 peak  9594 weight  0.10000E+01 volume  0.31430E+01 ppm1      0.556 ppm2      1.343
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 119  and name HN  ))
 )
      5.000     5.000     0.000 peak  9585 weight  0.10000E+01 volume  0.50800E+00 ppm1      0.555 ppm2      7.869
 ASSI (
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )(
   (( segid "    " and resid 120  and name HD1 ))
 )
      5.000     5.000     0.000 peak  9590 weight  0.10000E+01 volume  0.62400E+00 ppm1      0.556 ppm2      2.204
 ASSI (
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
 )(
   (( segid "    " and resid 69   and name HN  ))
 )
      6.000     6.000     0.000 peak  9595 weight  0.10000E+01 volume  0.76000E-01 ppm1      0.460 ppm2      9.617
 ASSI (
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
 )(
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9598 weight  0.10000E+01 volume  0.82700E+00 ppm1      0.460 ppm2      6.696
 ASSI (
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
 )(
   (( segid "    " and resid 119  and name HA  ))
 )
      5.000     5.000     0.000 peak  5769 weight  0.10000E+01 volume  0.77800E+00 ppm1      0.460 ppm2      3.362
 ASSI (
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
 )(
   (( segid "    " and resid 119  and name HN  ))
 )
      6.000     6.000     0.000 peak  9596 weight  0.10000E+01 volume  0.24100E+00 ppm1      0.460 ppm2      7.867
 ASSI (
   (( segid "    " and resid 119  and name HG  ))
 )(
   (( segid "    " and resid 119  and name HA  ))
 )
      5.000     5.000     0.000 peak  9573 weight  0.10000E+01 volume  0.84100E+00 ppm1      1.403 ppm2      3.361
 ASSI (
   (( segid "    " and resid 119  and name HG  ))
 )(
   (( segid "    " and resid 119  and name HN  ))
 )
      3.300     3.300     0.000 peak  9568 weight  0.10000E+01 volume  0.16350E+01 ppm1      1.403 ppm2      7.865
 ASSI (
   (( segid "    " and resid 120  and name HD1 ))
 )(
   (( segid "    " and resid 120  and name HD2 ))
 )
      3.300     3.300     0.000 peak  9607 weight  0.10000E+01 volume  0.20410E+01 ppm1      2.187 ppm2      2.047
 ASSI (
   (( segid "    " and resid 121  and name HA  ))
 )(
   (( segid "    " and resid 121  and name HB1 ))
 )
      3.300     3.300     0.000 peak  9615 weight  0.10000E+01 volume  0.20550E+01 ppm1      4.372 ppm2      1.933
 ASSI (
   (( segid "    " and resid 121  and name HA  ))
 )(
   (( segid "    " and resid 121  and name HB2 ))
 )
      3.300     3.300     0.000 peak  9616 weight  0.10000E+01 volume  0.18680E+01 ppm1      4.372 ppm2      1.787
 ASSI (
   (( segid "    " and resid 121  and name HA  ))
 )(
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG1 ))
 )
      2.700     2.700     0.000 peak  9614 weight  0.10000E+01 volume  0.31330E+01 ppm1      4.372 ppm2      2.187
 ASSI (
   (( segid "    " and resid 121  and name HA  ))
 )(
   (( segid "    " and resid 122  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9613 weight  0.10000E+01 volume  0.35600E+00 ppm1      4.374 ppm2      2.754
 ASSI (
   (( segid "    " and resid 121  and name HA  ))
 )(
   (( segid "    " and resid 122  and name HN  ))
 )
      2.700     2.700     0.000 peak  9611 weight  0.10000E+01 volume  0.54530E+01 ppm1      4.375 ppm2      8.778
 ASSI (
   (( segid "    " and resid 121  and name HB1 ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )
      3.300     3.300     0.000 peak  9626 weight  0.10000E+01 volume  0.16280E+01 ppm1      1.917 ppm2      0.687
 ASSI (
   (( segid "    " and resid 121  and name HB1 ))
 )(
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )
      5.000     5.000     0.000 peak  5477 weight  0.10000E+01 volume  0.14470E+01 ppm1      1.918 ppm2      0.829
 ASSI (
   (( segid "    " and resid 121  and name HB1 ))
 )(
   (( segid "    " and resid 99   and name HN  ))
 )
      5.000     5.000     0.000 peak  9618 weight  0.10000E+01 volume  0.41300E+00 ppm1      1.917 ppm2      9.129
 ASSI (
   (( segid "    " and resid 121  and name HB1 ))
 )(
   (( segid "    " and resid 121  and name HN  ))
 )
      3.300     3.300     0.000 peak  6268 weight  0.10000E+01 volume  0.16500E+01 ppm1      1.921 ppm2      7.958
 ASSI (
   (( segid "    " and resid 121  and name HB1 ))
 )(
   (( segid "    " and resid 122  and name HN  ))
 )
      5.000     5.000     0.000 peak  9619 weight  0.10000E+01 volume  0.12650E+01 ppm1      1.918 ppm2      8.784
 ASSI (
   (( segid "    " and resid 121  and name HB2 ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )
      5.000     5.000     0.000 peak  9627 weight  0.10000E+01 volume  0.98600E+00 ppm1      1.780 ppm2      0.687
 ASSI (
   (( segid "    " and resid 121  and name HB2 ))
 )(
   (( segid "    " and resid 99   and name HG23))
  OR 
   (( segid "    " and resid 99   and name HG22))
  OR 
   (( segid "    " and resid 99   and name HG21))
 )
      5.000     5.000     0.000 peak  9625 weight  0.10000E+01 volume  0.53600E+00 ppm1      1.780 ppm2      0.825
 ASSI (
   (( segid "    " and resid 121  and name HB2 ))
 )(
   (( segid "    " and resid 99   and name HN  ))
 )
      5.000     5.000     0.000 peak  9617 weight  0.10000E+01 volume  0.35000E+00 ppm1      1.779 ppm2      9.130
 ASSI (
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG1 ))
 )(
   (( segid "    " and resid 121  and name HN  ))
 )
      5.000     5.000     0.000 peak  9631 weight  0.10000E+01 volume  0.33500E+00 ppm1      2.171 ppm2      7.960
 ASSI (
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG1 ))
 )(
   (( segid "    " and resid 122  and name HN  ))
 )
      6.000     6.000     0.000 peak  9630 weight  0.10000E+01 volume  0.18900E+00 ppm1      2.171 ppm2      8.773
 ASSI (
   (( segid "    " and resid 122  and name HA  ))
 )(
   (( segid "    " and resid 122  and name HB1 ))
 )
      5.000     5.000     0.000 peak  7064 weight  0.10000E+01 volume  0.36300E+00 ppm1      5.263 ppm2      2.775
 ASSI (
   (( segid "    " and resid 122  and name HA  ))
 )(
   (( segid "    " and resid 123  and name HB1 ))
 )
      6.000     6.000     0.000 peak  5145 weight  0.10000E+01 volume  0.14400E+00 ppm1      5.263 ppm2      1.660
 ASSI (
   (( segid "    " and resid 122  and name HA  ))
 )(
   (( segid "    " and resid 123  and name HB2 ))
 )
      6.000     6.000     0.000 peak  5142 weight  0.10000E+01 volume  0.28800E+00 ppm1      5.263 ppm2      1.484
 ASSI (
   (( segid "    " and resid 122  and name HA  ))
 )(
   (( segid "    " and resid 123  and name HN  ))
 )
      2.700     2.700     0.000 peak  7110 weight  0.10000E+01 volume  0.30460E+01 ppm1      5.262 ppm2      9.097
 ASSI (
   (( segid "    " and resid 122  and name HB1 ))
 )(
   (( segid "    " and resid 122  and name HB2 ))
 )
      3.300     3.300     0.000 peak  9643 weight  0.10000E+01 volume  0.18850E+01 ppm1      2.754 ppm2      2.416
 ASSI (
   (( segid "    " and resid 122  and name HB2 ))
 )(
   (( segid "    " and resid 73   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5480 weight  0.10000E+01 volume  0.43500E+00 ppm1      2.412 ppm2      2.139
 ASSI (
   (( segid "    " and resid 122  and name HB2 ))
 )(
   (( segid "    " and resid 73   and name HB2 ))
 )
      6.000     6.000     0.000 peak  9644 weight  0.10000E+01 volume  0.22000E+00 ppm1      2.416 ppm2      0.972
 ASSI (
   (( segid "    " and resid 122  and name HB2 ))
 )(
   (( segid "    " and resid 122  and name HA  ))
 )
      5.000     5.000     0.000 peak  9641 weight  0.10000E+01 volume  0.39500E+00 ppm1      2.414 ppm2      5.279
 ASSI (
   (( segid "    " and resid 122  and name HB2 ))
 )(
   (( segid "    " and resid 122  and name HN  ))
 )
      5.000     5.000     0.000 peak  9637 weight  0.10000E+01 volume  0.31900E+00 ppm1      2.415 ppm2      8.783
 ASSI (
   (( segid "    " and resid 123  and name HA  ))
 )(
   (( segid "    " and resid 123  and name HB1 ))
 )
      5.000     5.000     0.000 peak  9646 weight  0.10000E+01 volume  0.13960E+01 ppm1      4.797 ppm2      1.673
 ASSI (
   (( segid "    " and resid 123  and name HA  ))
 )(
   (( segid "    " and resid 123  and name HB2 ))
 )
      5.000     5.000     0.000 peak  9648 weight  0.10000E+01 volume  0.77600E+00 ppm1      4.797 ppm2      1.477
 ASSI (
   (( segid "    " and resid 123  and name HA  ))
 )(
   (( segid "    " and resid 123  and name HN  ))
 )
      6.000     6.000     0.000 peak  7215 weight  0.10000E+01 volume  0.25200E+00 ppm1      4.801 ppm2      9.092
 ASSI (
   (( segid "    " and resid 123  and name HA  ))
 )(
   (( segid "    " and resid 124  and name HA  ))
 )
      6.000     6.000     0.000 peak  5148 weight  0.10000E+01 volume  0.18100E+00 ppm1      4.797 ppm2      3.599
 ASSI (
   (( segid "    " and resid 123  and name HA  ))
 )(
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )
      5.000     5.000     0.000 peak  9647 weight  0.10000E+01 volume  0.50900E+00 ppm1      4.797 ppm2      0.663
 ASSI (
   (( segid "    " and resid 123  and name HA  ))
 )(
   (( segid "    " and resid 124  and name HN  ))
 )
      3.300     3.300     0.000 peak  9645 weight  0.10000E+01 volume  0.26920E+01 ppm1      4.799 ppm2      8.663
 ASSI (
   (( segid "    " and resid 123  and name HB1 ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )
      5.000     5.000     0.000 peak  5481 weight  0.10000E+01 volume  0.93700E+00 ppm1      1.658 ppm2      0.704
 ASSI (
   (( segid "    " and resid 123  and name HB1 ))
 )(
   (( segid "    " and resid 123  and name HG1 ))
 )
      3.300     3.300     0.000 peak  9657 weight  0.10000E+01 volume  0.15740E+01 ppm1      1.658 ppm2      2.282
 ASSI (
   (( segid "    " and resid 123  and name HB1 ))
 )(
   (( segid "    " and resid 123  and name HG2 ))
 )
      3.300     3.300     0.000 peak  9661 weight  0.10000E+01 volume  0.25840E+01 ppm1      1.658 ppm2      2.187
 ASSI (
   (( segid "    " and resid 123  and name HB1 ))
 )(
   (( segid "    " and resid 123  and name HN  ))
 )
      5.000     5.000     0.000 peak  9649 weight  0.10000E+01 volume  0.91500E+00 ppm1      1.659 ppm2      9.089
 ASSI (
   (( segid "    " and resid 123  and name HB1 ))
 )(
   (( segid "    " and resid 124  and name HN  ))
 )
      5.000     5.000     0.000 peak  9651 weight  0.10000E+01 volume  0.61000E+00 ppm1      1.660 ppm2      8.661
 ASSI (
   (( segid "    " and resid 123  and name HB2 ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )
      5.000     5.000     0.000 peak  5482 weight  0.10000E+01 volume  0.11960E+01 ppm1      1.465 ppm2      0.709
 ASSI (
   (( segid "    " and resid 123  and name HB2 ))
 )(
   (( segid "    " and resid 123  and name HG2 ))
 )
      3.300     3.300     0.000 peak  9660 weight  0.10000E+01 volume  0.16280E+01 ppm1      1.466 ppm2      2.189
 ASSI (
   (( segid "    " and resid 123  and name HB2 ))
 )(
   (( segid "    " and resid 123  and name HN  ))
 )
      5.000     5.000     0.000 peak  9650 weight  0.10000E+01 volume  0.10040E+01 ppm1      1.465 ppm2      9.089
 ASSI (
   (( segid "    " and resid 123  and name HB2 ))
 )(
   (( segid "    " and resid 124  and name HN  ))
 )
      5.000     5.000     0.000 peak  9652 weight  0.10000E+01 volume  0.43400E+00 ppm1      1.464 ppm2      8.660
 ASSI (
   (( segid "    " and resid 123  and name HG1 ))
 )(
   (( segid "    " and resid 99   and name HD13))
  OR 
   (( segid "    " and resid 99   and name HD12))
  OR 
   (( segid "    " and resid 99   and name HD11))
 )
      5.000     5.000     0.000 peak  5732 weight  0.10000E+01 volume  0.11800E+01 ppm1      2.281 ppm2      0.707
 ASSI (
   (( segid "    " and resid 123  and name HG1 ))
 )(
   (( segid "    " and resid 123  and name HA  ))
 )
      5.000     5.000     0.000 peak  9056 weight  0.10000E+01 volume  0.80400E+00 ppm1      2.285 ppm2      4.814
 ASSI (
   (( segid "    " and resid 123  and name HG1 ))
 )(
   (( segid "    " and resid 123  and name HB2 ))
 )
      3.300     3.300     0.000 peak  9669 weight  0.10000E+01 volume  0.26020E+01 ppm1      2.282 ppm2      1.484
 ASSI (
   (( segid "    " and resid 123  and name HG1 ))
 )(
   (( segid "    " and resid 123  and name HN  ))
 )
      5.000     5.000     0.000 peak  9662 weight  0.10000E+01 volume  0.41400E+00 ppm1      2.282 ppm2      9.093
 ASSI (
   (( segid "    " and resid 123  and name HG1 ))
 )(
   (( segid "    " and resid 124  and name HN  ))
 )
      5.000     5.000     0.000 peak  9665 weight  0.10000E+01 volume  0.67100E+00 ppm1      2.282 ppm2      8.663
 ASSI (
   (( segid "    " and resid 123  and name HG2 ))
 )(
   (( segid "    " and resid 123  and name HA  ))
 )
      5.000     5.000     0.000 peak  9668 weight  0.10000E+01 volume  0.87600E+00 ppm1      2.195 ppm2      4.813
 ASSI (
   (( segid "    " and resid 123  and name HG2 ))
 )(
   (( segid "    " and resid 123  and name HN  ))
 )
      5.000     5.000     0.000 peak  9663 weight  0.10000E+01 volume  0.42300E+00 ppm1      2.196 ppm2      9.091
 ASSI (
   (( segid "    " and resid 123  and name HG2 ))
 )(
   (( segid "    " and resid 124  and name HN  ))
 )
      5.000     5.000     0.000 peak  9664 weight  0.10000E+01 volume  0.74600E+00 ppm1      2.196 ppm2      8.664
 ASSI (
   (( segid "    " and resid 124  and name HA  ))
 )(
   (( segid "    " and resid 97   and name HN  ))
 )
      6.000     6.000     0.000 peak  9671 weight  0.10000E+01 volume  0.24800E+00 ppm1      3.591 ppm2      9.712
 ASSI (
   (( segid "    " and resid 124  and name HA  ))
 )(
   (( segid "    " and resid 124  and name HG11))
 )
      5.000     5.000     0.000 peak  9676 weight  0.10000E+01 volume  0.62300E+00 ppm1      3.591 ppm2      1.110
 ASSI (
   (( segid "    " and resid 124  and name HA  ))
 )(
   (( segid "    " and resid 124  and name HG12))
 )
      5.000     5.000     0.000 peak  9677 weight  0.10000E+01 volume  0.62800E+00 ppm1      3.591 ppm2      0.830
 ASSI (
   (( segid "    " and resid 124  and name HA  ))
 )(
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )
      3.300     3.300     0.000 peak  9678 weight  0.10000E+01 volume  0.19100E+01 ppm1      3.590 ppm2      0.662
 ASSI (
   (( segid "    " and resid 124  and name HA  ))
 )(
   (( segid "    " and resid 124  and name HN  ))
 )
      5.000     5.000     0.000 peak  9672 weight  0.10000E+01 volume  0.60100E+00 ppm1      3.591 ppm2      8.667
 ASSI (
   (( segid "    " and resid 124  and name HA  ))
 )(
   (( segid "    " and resid 125  and name HB2 ))
  OR 
   (( segid "    " and resid 125  and name HB1 ))
 )
      5.000     5.000     0.000 peak  5152 weight  0.10000E+01 volume  0.39500E+00 ppm1      3.589 ppm2      1.292
 ASSI (
   (( segid "    " and resid 124  and name HA  ))
 )(
   (( segid "    " and resid 125  and name HN  ))
 )
      3.300     3.300     0.000 peak  9673 weight  0.10000E+01 volume  0.25200E+01 ppm1      3.590 ppm2      7.814
 ASSI (
   (( segid "    " and resid 124  and name HB  ))
 )(
   (( segid "    " and resid 96   and name HA  ))
 )
      6.000     6.000     0.000 peak  9682 weight  0.10000E+01 volume  0.13000E+00 ppm1      1.522 ppm2      5.096
 ASSI (
   (( segid "    " and resid 124  and name HB  ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9681 weight  0.10000E+01 volume  0.29000E+00 ppm1      1.520 ppm2      6.715
 ASSI (
   (( segid "    " and resid 124  and name HB  ))
 )(
   (( segid "    " and resid 123  and name HA  ))
 )
      5.000     5.000     0.000 peak  5483 weight  0.10000E+01 volume  0.56100E+00 ppm1      1.517 ppm2      4.812
 ASSI (
   (( segid "    " and resid 124  and name HB  ))
 )(
   (( segid "    " and resid 124  and name HA  ))
 )
      3.300     3.300     0.000 peak  9683 weight  0.10000E+01 volume  0.15030E+01 ppm1      1.519 ppm2      3.596
 ASSI (
   (( segid "    " and resid 124  and name HB  ))
 )(
   (( segid "    " and resid 124  and name HD13))
  OR 
   (( segid "    " and resid 124  and name HD12))
  OR 
   (( segid "    " and resid 124  and name HD11))
 )
      5.000     5.000     0.000 peak  9687 weight  0.10000E+01 volume  0.11860E+01 ppm1      1.518 ppm2      0.583
 ASSI (
   (( segid "    " and resid 124  and name HB  ))
 )(
   (( segid "    " and resid 124  and name HG11))
 )
      5.000     5.000     0.000 peak  9684 weight  0.10000E+01 volume  0.10890E+01 ppm1      1.519 ppm2      1.108
 ASSI (
   (( segid "    " and resid 124  and name HB  ))
 )(
   (( segid "    " and resid 124  and name HG12))
 )
      5.000     5.000     0.000 peak  9685 weight  0.10000E+01 volume  0.63700E+00 ppm1      1.522 ppm2      0.827
 ASSI (
   (( segid "    " and resid 124  and name HB  ))
 )(
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )
      3.300     3.300     0.000 peak  9686 weight  0.10000E+01 volume  0.23750E+01 ppm1      1.519 ppm2      0.669
 ASSI (
   (( segid "    " and resid 124  and name HB  ))
 )(
   (( segid "    " and resid 124  and name HN  ))
 )
      3.300     3.300     0.000 peak  9679 weight  0.10000E+01 volume  0.23930E+01 ppm1      1.519 ppm2      8.665
 ASSI (
   (( segid "    " and resid 124  and name HB  ))
 )(
   (( segid "    " and resid 125  and name HN  ))
 )
      5.000     5.000     0.000 peak  9680 weight  0.10000E+01 volume  0.36500E+00 ppm1      1.519 ppm2      7.818
 ASSI (
   (( segid "    " and resid 124  and name HD13))
  OR 
   (( segid "    " and resid 124  and name HD12))
  OR 
   (( segid "    " and resid 124  and name HD11))
 )(
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9713 weight  0.10000E+01 volume  0.10560E+01 ppm1      0.570 ppm2      7.129
 ASSI (
   (( segid "    " and resid 124  and name HD13))
  OR 
   (( segid "    " and resid 124  and name HD12))
  OR 
   (( segid "    " and resid 124  and name HD11))
 )(
   (( segid "    " and resid 96   and name HN  ))
 )
      6.000     6.000     0.000 peak  9711 weight  0.10000E+01 volume  0.13200E+00 ppm1      0.570 ppm2      8.158
 ASSI (
   (( segid "    " and resid 124  and name HD13))
  OR 
   (( segid "    " and resid 124  and name HD12))
  OR 
   (( segid "    " and resid 124  and name HD11))
 )(
   (( segid "    " and resid 124  and name HA  ))
 )
      5.000     5.000     0.000 peak  9716 weight  0.10000E+01 volume  0.50700E+00 ppm1      0.572 ppm2      3.600
 ASSI (
   (( segid "    " and resid 124  and name HD13))
  OR 
   (( segid "    " and resid 124  and name HD12))
  OR 
   (( segid "    " and resid 124  and name HD11))
 )(
   (( segid "    " and resid 124  and name HG11))
 )
      2.700     2.700     0.000 peak  9718 weight  0.10000E+01 volume  0.37770E+01 ppm1      0.572 ppm2      1.109
 ASSI (
   (( segid "    " and resid 124  and name HD13))
  OR 
   (( segid "    " and resid 124  and name HD12))
  OR 
   (( segid "    " and resid 124  and name HD11))
 )(
   (( segid "    " and resid 124  and name HG12))
 )
      2.700     2.700     0.000 peak  9719 weight  0.10000E+01 volume  0.70840E+01 ppm1      0.572 ppm2      0.828
 ASSI (
   (( segid "    " and resid 124  and name HD13))
  OR 
   (( segid "    " and resid 124  and name HD12))
  OR 
   (( segid "    " and resid 124  and name HD11))
 )(
   (( segid "    " and resid 124  and name HN  ))
 )
      5.000     5.000     0.000 peak  6295 weight  0.10000E+01 volume  0.36700E+00 ppm1      0.570 ppm2      8.664
 ASSI (
   (( segid "    " and resid 124  and name HD13))
  OR 
   (( segid "    " and resid 124  and name HD12))
  OR 
   (( segid "    " and resid 124  and name HD11))
 )(
   (( segid "    " and resid 125  and name HN  ))
 )
      5.000     5.000     0.000 peak  9712 weight  0.10000E+01 volume  0.47100E+00 ppm1      0.571 ppm2      7.819
 ASSI (
   (( segid "    " and resid 124  and name HG11))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      6.000     6.000     0.000 peak  9695 weight  0.10000E+01 volume  0.22500E+00 ppm1      1.099 ppm2      6.722
 ASSI (
   (( segid "    " and resid 124  and name HG11))
 )(
   (( segid "    " and resid 124  and name HG12))
 )
      2.700     2.700     0.000 peak  9700 weight  0.10000E+01 volume  0.47220E+01 ppm1      1.103 ppm2      0.822
 ASSI (
   (( segid "    " and resid 124  and name HG11))
 )(
   (( segid "    " and resid 124  and name HN  ))
 )
      5.000     5.000     0.000 peak  9688 weight  0.10000E+01 volume  0.52300E+00 ppm1      1.101 ppm2      8.666
 ASSI (
   (( segid "    " and resid 124  and name HG11))
 )(
   (( segid "    " and resid 125  and name HN  ))
 )
      5.000     5.000     0.000 peak  9692 weight  0.10000E+01 volume  0.44200E+00 ppm1      1.100 ppm2      7.822
 ASSI (
   (( segid "    " and resid 124  and name HG12))
 )(
   (( segid "    " and resid 124  and name HN  ))
 )
      5.000     5.000     0.000 peak  9689 weight  0.10000E+01 volume  0.38100E+00 ppm1      0.822 ppm2      8.666
 ASSI (
   (( segid "    " and resid 124  and name HG12))
 )(
   (( segid "    " and resid 125  and name HN  ))
 )
      5.000     5.000     0.000 peak  9693 weight  0.10000E+01 volume  0.39600E+00 ppm1      0.820 ppm2      7.820
 ASSI (
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9706 weight  0.10000E+01 volume  0.42000E+00 ppm1      0.656 ppm2      6.721
 ASSI (
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )(
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )
      5.000     5.000     0.000 peak  9704 weight  0.10000E+01 volume  0.63300E+00 ppm1      0.655 ppm2      7.138
 ASSI (
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )(
   (( segid "    " and resid 125  and name HA  ))
 )
      5.000     5.000     0.000 peak  9707 weight  0.10000E+01 volume  0.61500E+00 ppm1      0.655 ppm2      4.205
 ASSI (
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )(
   (( segid "    " and resid 125  and name HN  ))
 )
      5.000     5.000     0.000 peak  9703 weight  0.10000E+01 volume  0.12850E+01 ppm1      0.656 ppm2      7.824
 ASSI (
   (( segid "    " and resid 125  and name HG  ))
 )(
   (( segid "    " and resid 96   and name HN  ))
 )
      5.000     5.000     0.000 peak  7032 weight  0.10000E+01 volume  0.64000E+00 ppm1      1.278 ppm2      8.172
 ASSI (
   (( segid "    " and resid 52   and name HN  ))
 )(
   (( segid "    " and resid 50   and name HN  ))
 )
      5.000     5.000     0.000 peak  6551 weight  0.10000E+01 volume  0.36100E+00 ppm1      7.917 ppm2      8.149
 ASSI (
   (( segid "    " and resid 112  and name HN  ))
 )(
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )
      6.000     6.000     0.000 peak  7287 weight  0.10000E+01 volume  0.18900E+00 ppm1      7.733 ppm2      2.144
 ASSI (
   (( segid "    " and resid 3    and name HN  ))
 )(
   (( segid "    " and resid 52   and name HA2 ))
  OR 
   (( segid "    " and resid 6    and name HD1 ))
  OR 
   (( segid "    " and resid 5    and name HD1 ))
  OR 
   (( segid "    " and resid 5    and name HA  ))
 )
      6.000     6.000     0.000 peak  6272 weight  0.10000E+01 volume  0.22700E+00 ppm1      8.527 ppm2      3.437
 ASSI (
   (( segid "    " and resid 49   and name HD22))
  OR 
   (( segid "    " and resid 49   and name HD21))
 )(
   (( segid "    " and resid 51   and name HA  ))
  OR 
   (( segid "    " and resid 49   and name HA  ))
 )
      5.000     5.000     0.000 peak  8323 weight  0.10000E+01 volume  0.36700E+00 ppm1      7.135 ppm2      4.783
 ASSI (
   (( segid "    " and resid 58   and name HN  ))
 )(
   (( segid "    " and resid 57   and name HN  ))
 )
      5.000     5.000     0.000 peak  6617 weight  0.10000E+01 volume  0.44700E+00 ppm1      8.266 ppm2      8.529
 ASSI (
   (( segid "    " and resid 101  and name HN  ))
 )(
   (( segid "    " and resid 100  and name HA2 ))
 )
      3.300     3.300     0.000 peak  6454 weight  0.10000E+01 volume  0.22770E+01 ppm1      8.141 ppm2      3.594
 ASSI (
   (( segid "    " and resid 101  and name HN  ))
 )(
   (( segid "    " and resid 101  and name HA  ))
  OR 
   (( segid "    " and resid 100  and name HA1 ))
 )
      2.700     2.700     0.000 peak  6457 weight  0.10000E+01 volume  0.32240E+01 ppm1      8.139 ppm2      4.459
 ASSI (
   (( segid "    " and resid 37   and name HN  ))
 )(
   (( segid "    " and resid 36   and name HN  ))
 )
      2.700     2.700     0.000 peak  6421 weight  0.10000E+01 volume  0.40980E+01 ppm1      8.128 ppm2      8.283
 ASSI (
   (( segid "    " and resid 37   and name HN  ))
 )(
   (( segid "    " and resid 61   and name HN  ))
  OR 
   (( segid "    " and resid 38   and name HN  ))
 )
      6.000     6.000     0.000 peak  6422 weight  0.10000E+01 volume  0.24200E+00 ppm1      8.129 ppm2      9.230
 ASSI (
   (( segid "    " and resid 61   and name HN  ))
  OR 
   (( segid "    " and resid 38   and name HN  ))
 )(
   (( segid "    " and resid 40   and name HB2 ))
  OR 
   (( segid "    " and resid 37   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6427 weight  0.10000E+01 volume  0.36300E+00 ppm1      9.246 ppm2      3.412
 ASSI (
   (( segid "    " and resid 16   and name HN  ))
 )(
   (( segid "    " and resid 15   and name HA  ))
 )
      3.300     3.300     0.000 peak  7798 weight  0.10000E+01 volume  0.22240E+01 ppm1      7.807 ppm2      4.540
 ASSI (
   (( segid "    " and resid 97   and name HN  ))
 )(
   (( segid "    " and resid 123  and name HA  ))
  OR 
   (( segid "    " and resid 97   and name HA  ))
 )
      3.300     3.300     0.000 peak  7059 weight  0.10000E+01 volume  0.19000E+01 ppm1      9.714 ppm2      4.839
 ASSI (
   (( segid "    " and resid 56   and name HN  ))
 )(
   (( segid "    " and resid 57   and name HN  ))
  OR 
   (( segid "    " and resid 47   and name HN  ))
 )
      5.000     5.000     0.000 peak  6602 weight  0.10000E+01 volume  0.31700E+00 ppm1      7.808 ppm2      8.519
 ASSI (
   (( segid "    " and resid 122  and name HN  ))
 )(
   (( segid "    " and resid 124  and name HB  ))
  OR 
   (( segid "    " and resid 98   and name HB1 ))
  OR 
   (( segid "    " and resid 72   and name HG2 ))
  OR 
   (( segid "    " and resid 72   and name HG1 ))
  OR 
   (( segid "    " and resid 72   and name HB2 ))
  OR 
   (( segid "    " and resid 71   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7352 weight  0.10000E+01 volume  0.62400E+00 ppm1      8.771 ppm2      1.521
 ASSI (
   (( segid "    " and resid 30   and name HN  ))
 )(
   (( segid "    " and resid 17   and name HN  ))
  OR 
   (( segid "    " and resid 14   and name HN  ))
 )
      6.000     6.000     0.000 peak  6381 weight  0.10000E+01 volume  0.24300E+00 ppm1      8.739 ppm2      8.191
 ASSI (
   (( segid "    " and resid 46   and name HN  ))
 )(
   (( segid "    " and resid 29   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6471 weight  0.10000E+01 volume  0.34000E+00 ppm1      8.482 ppm2      1.317
 ASSI (
   (( segid "    " and resid 46   and name HN  ))
 )(
   (( segid "    " and resid 46   and name HG  ))
  OR 
   (( segid "    " and resid 29   and name HG  ))
 )
      5.000     5.000     0.000 peak  6472 weight  0.10000E+01 volume  0.41600E+00 ppm1      8.482 ppm2      1.438
 ASSI (
   (( segid "    " and resid 46   and name HN  ))
 )(
   (( segid "    " and resid 29   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6473 weight  0.10000E+01 volume  0.34400E+00 ppm1      8.482 ppm2      1.613
 ASSI (
   (( segid "    " and resid 46   and name HN  ))
 )(
   (( segid "    " and resid 28   and name HA  ))
 )
      6.000     6.000     0.000 peak  6476 weight  0.10000E+01 volume  0.29900E+00 ppm1      8.484 ppm2      5.420
 ASSI (
   (( segid "    " and resid 106  and name HN  ))
 )(
   (( segid "    " and resid 115  and name HZ3 ))
 )
      5.000     5.000     0.000 peak  9504 weight  0.10000E+01 volume  0.10170E+01 ppm1      8.366 ppm2      6.845
 ASSI (
   (( segid "    " and resid 106  and name HN  ))
  OR 
   (( segid "    " and resid 31   and name HN  ))
 )(
   (( segid "    " and resid 106  and name HB1 ))
  OR 
   (( segid "    " and resid 31   and name HB1 ))
 )
      3.300     3.300     0.000 peak  7388 weight  0.10000E+01 volume  0.19020E+01 ppm1      8.379 ppm2      2.627
 ASSI (
   (( segid "    " and resid 106  and name HN  ))
  OR 
   (( segid "    " and resid 44   and name HN  ))
 )(
   (( segid "    " and resid 85   and name HA2 ))
  OR 
   (( segid "    " and resid 44   and name HA  ))
 )
      5.000     5.000     0.000 peak  5955 weight  0.10000E+01 volume  0.86400E+00 ppm1      8.379 ppm2      3.015
 ASSI (
   (( segid "    " and resid 74   and name HN  ))
 )(
   (( segid "    " and resid 71   and name HB2 ))
 )
      6.000     6.000     0.000 peak  6760 weight  0.10000E+01 volume  0.25400E+00 ppm1      7.631 ppm2      0.734
 ASSI (
   (( segid "    " and resid 78   and name HN  ))
  OR 
   (( segid "    " and resid 48   and name HN  ))
 )(
   (( segid "    " and resid 79   and name HN  ))
  OR 
   (( segid "    " and resid 27   and name HN  ))
 )
      5.000     5.000     0.000 peak  6353 weight  0.10000E+01 volume  0.55400E+00 ppm1      8.511 ppm2      7.866
 ASSI (
   (( segid "    " and resid 54   and name HE1 ))
 )(
   (( segid "    " and resid 48   and name HA  ))
  OR 
   (( segid "    " and resid 4    and name HD1 ))
  OR 
   (( segid "    " and resid 3    and name HA2 ))
 )
      6.000     6.000     0.000 peak  6692 weight  0.10000E+01 volume  0.13600E+00 ppm1      9.999 ppm2      3.958
 ASSI (
   (( segid "    " and resid 1    and name HN  ))
 )(
   (( segid "    " and resid 1    and name HA  ))
 )
      5.000     5.000     0.000 peak  6152 weight  0.10000E+01 volume  0.84800E+00 ppm1      8.259 ppm2      4.886
 ASSI (
   (( segid "    " and resid 1    and name HN  ))
 )(
   (( segid "    " and resid 1    and name HB2 ))
 )
      5.000     5.000     0.000 peak  6149 weight  0.10000E+01 volume  0.98000E+00 ppm1      8.261 ppm2      2.600
 ASSI (
   (( segid "    " and resid 1    and name HD21))
 )(
   (( segid "    " and resid 24   and name HA  ))
 )
      6.000     6.000     0.000 peak  7525 weight  0.10000E+01 volume  0.14900E+00 ppm1      7.258 ppm2      4.395
 ASSI (
   (( segid "    " and resid 1    and name HD21))
 )(
   (( segid "    " and resid 22   and name HA  ))
  OR 
   (( segid "    " and resid 1    and name HA  ))
 )
      6.000     6.000     0.000 peak  7528 weight  0.10000E+01 volume  0.26900E+00 ppm1      7.257 ppm2      4.897
 ASSI (
   (( segid "    " and resid 1    and name HD22))
 )(
   (( segid "    " and resid 24   and name HA  ))
 )
      6.000     6.000     0.000 peak  7526 weight  0.10000E+01 volume  0.20100E+00 ppm1      6.923 ppm2      4.394
 ASSI (
   (( segid "    " and resid 2    and name HN  ))
 )(
   (( segid "    " and resid 24   and name HA  ))
 )
      5.000     5.000     0.000 peak  6159 weight  0.10000E+01 volume  0.39600E+00 ppm1      8.837 ppm2      4.393
 ASSI (
   (( segid "    " and resid 3    and name HN  ))
 )(
   (( segid "    " and resid 54   and name HD1 ))
  OR 
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
  OR 
   (( segid "    " and resid 22   and name HN  ))
  OR 
   (( segid "    " and resid 1    and name HD21))
 )
      6.000     6.000     0.000 peak  6274 weight  0.10000E+01 volume  0.23500E+00 ppm1      8.526 ppm2      7.284
 ASSI (
   (( segid "    " and resid 8    and name HN  ))
 )(
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )
      6.000     6.000     0.000 peak  6278 weight  0.10000E+01 volume  0.13600E+00 ppm1      8.425 ppm2      6.226
 ASSI (
   (( segid "    " and resid 44   and name HN  ))
  OR 
   (( segid "    " and resid 31   and name HN  ))
 )(
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
  OR 
   (( segid "    " and resid 5    and name HG2 ))
 )
      5.000     5.000     0.000 peak  4944 weight  0.10000E+01 volume  0.11110E+01 ppm1      8.382 ppm2      0.918
 ASSI (
   (( segid "    " and resid 44   and name HN  ))
  OR 
   (( segid "    " and resid 31   and name HN  ))
 )(
   (( segid "    " and resid 43   and name HG23))
  OR 
   (( segid "    " and resid 43   and name HG22))
  OR 
   (( segid "    " and resid 43   and name HG21))
  OR 
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB1 ))
  OR 
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )
      5.000     5.000     0.000 peak  4945 weight  0.10000E+01 volume  0.11660E+01 ppm1      8.383 ppm2      1.197
 ASSI (
   (( segid "    " and resid 3    and name HN  ))
 )(
   (( segid "    " and resid 52   and name HA1 ))
  OR 
   (( segid "    " and resid 4    and name HD2 ))
 )
      5.000     5.000     0.000 peak  5781 weight  0.10000E+01 volume  0.40100E+00 ppm1      8.527 ppm2      3.641
 ASSI (
   (( segid "    " and resid 11   and name HN  ))
 )(
   (( segid "    " and resid 34   and name HA  ))
  OR 
   (( segid "    " and resid 8    and name HA  ))
 )
      6.000     6.000     0.000 peak  6294 weight  0.10000E+01 volume  0.19600E+00 ppm1      6.451 ppm2      4.358
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )
      6.000     6.000     0.000 peak  6301 weight  0.10000E+01 volume  0.19100E+00 ppm1      8.627 ppm2      6.235
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 12   and name HA  ))
 )
      5.000     5.000     0.000 peak  6193 weight  0.10000E+01 volume  0.85300E+00 ppm1      8.624 ppm2      4.586
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
  OR 
   (( segid "    " and resid 11   and name HN  ))
 )
      5.000     5.000     0.000 peak  5814 weight  0.10000E+01 volume  0.65600E+00 ppm1      8.626 ppm2      6.499
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 31   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6298 weight  0.10000E+01 volume  0.43800E+00 ppm1      8.626 ppm2      2.605
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 31   and name HB2 ))
  OR 
   (( segid "    " and resid 10   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5817 weight  0.10000E+01 volume  0.45000E+00 ppm1      8.625 ppm2      2.512
 ASSI (
   (( segid "    " and resid 14   and name HN  ))
 )(
   (( segid "    " and resid 30   and name HA  ))
  OR 
   (( segid "    " and resid 15   and name HA  ))
 )
      5.000     5.000     0.000 peak  6306 weight  0.10000E+01 volume  0.45300E+00 ppm1      8.218 ppm2      4.535
 ASSI (
   (( segid "    " and resid 14   and name HN  ))
 )(
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      6.000     6.000     0.000 peak  6307 weight  0.10000E+01 volume  0.20700E+00 ppm1      8.220 ppm2      6.525
 ASSI (
   (( segid "    " and resid 15   and name HN  ))
 )(
   (( segid "    " and resid 13   and name HA  ))
 )
      5.000     5.000     0.000 peak  6209 weight  0.10000E+01 volume  0.43600E+00 ppm1      8.128 ppm2      3.114
 ASSI (
   (( segid "    " and resid 17   and name HN  ))
 )(
   (( segid "    " and resid 17   and name HB  ))
  OR 
   (( segid "    " and resid 16   and name HA  ))
 )
      2.700     2.700     0.000 peak  6214 weight  0.10000E+01 volume  0.36730E+01 ppm1      8.203 ppm2      4.131
 ASSI (
   (( segid "    " and resid 18   and name HN  ))
 )(
   (( segid "    " and resid 18   and name HB2 ))
 )
      2.700     2.700     0.000 peak  6217 weight  0.10000E+01 volume  0.32590E+01 ppm1      8.053 ppm2      1.636
 ASSI (
   (( segid "    " and resid 18   and name HN  ))
 )(
   (( segid "    " and resid 18   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6220 weight  0.10000E+01 volume  0.27930E+01 ppm1      8.052 ppm2      1.692
 ASSI (
   (( segid "    " and resid 19   and name HN  ))
 )(
   (( segid "    " and resid 20   and name HA  ))
  OR 
   (( segid "    " and resid 19   and name HB  ))
  OR 
   (( segid "    " and resid 19   and name HA  ))
 )
      3.300     3.300     0.000 peak  6227 weight  0.10000E+01 volume  0.19990E+01 ppm1      8.086 ppm2      4.274
 ASSI (
   (( segid "    " and resid 21   and name HN  ))
 )(
   (( segid "    " and resid 22   and name HG2 ))
  OR 
   (( segid "    " and resid 22   and name HG1 ))
  OR 
   (( segid "    " and resid 22   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5851 weight  0.10000E+01 volume  0.47900E+00 ppm1      8.148 ppm2      1.521
 ASSI (
   (( segid "    " and resid 21   and name HN  ))
 )(
   (( segid "    " and resid 21   and name HB  ))
  OR 
   (( segid "    " and resid 20   and name HA  ))
 )
      2.700     2.700     0.000 peak  6239 weight  0.10000E+01 volume  0.43950E+01 ppm1      8.145 ppm2      4.256
 ASSI (
   (( segid "    " and resid 23   and name HN  ))
 )(
   (( segid "    " and resid 54   and name HZ2 ))
  OR 
   (( segid "    " and resid 1    and name HD22))
 )
      6.000     6.000     0.000 peak  6252 weight  0.10000E+01 volume  0.27500E+00 ppm1      8.825 ppm2      6.940
 ASSI (
   (( segid "    " and resid 24   and name HN  ))
 )(
   (( segid "    " and resid 23   and name HB2 ))
  OR 
   (( segid "    " and resid 1    and name HB1 ))
 )
      5.000     5.000     0.000 peak  7230 weight  0.10000E+01 volume  0.74100E+00 ppm1      8.544 ppm2      2.708
 ASSI (
   (( segid "    " and resid 24   and name HN  ))
 )(
   (( segid "    " and resid 24   and name HB2 ))
  OR 
   (( segid "    " and resid 24   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6256 weight  0.10000E+01 volume  0.24180E+01 ppm1      8.545 ppm2      1.729
 ASSI (
   (( segid "    " and resid 25   and name HN  ))
 )(
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
  OR 
   (( segid "    " and resid 24   and name HG2 ))
  OR 
   (( segid "    " and resid 24   and name HG1 ))
 )
      5.000     5.000     0.000 peak  5876 weight  0.10000E+01 volume  0.54300E+00 ppm1      8.602 ppm2      1.477
 ASSI (
   (( segid "    " and resid 25   and name HN  ))
 )(
   (( segid "    " and resid 24   and name HA  ))
 )
      2.700     2.700     0.000 peak  5869 weight  0.10000E+01 volume  0.32460E+01 ppm1      8.602 ppm2      4.382
 ASSI (
   (( segid "    " and resid 26   and name HN  ))
 )(
   (( segid "    " and resid 26   and name HA2 ))
  OR 
   (( segid "    " and resid 25   and name HA  ))
 )
      2.700     2.700     0.000 peak  6330 weight  0.10000E+01 volume  0.36680E+01 ppm1      9.168 ppm2      3.504
 ASSI (
   (( segid "    " and resid 27   and name HN  ))
 )(
   (( segid "    " and resid 24   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6342 weight  0.10000E+01 volume  0.50300E+00 ppm1      7.868 ppm2      1.707
 ASSI (
   (( segid "    " and resid 27   and name HN  ))
 )(
   (( segid "    " and resid 48   and name HN  ))
  OR 
   (( segid "    " and resid 24   and name HN  ))
 )
      5.000     5.000     0.000 peak  6352 weight  0.10000E+01 volume  0.63600E+00 ppm1      7.870 ppm2      8.524
 ASSI (
   (( segid "    " and resid 27   and name HN  ))
 )(
   (( segid "    " and resid 47   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HG22))
  OR 
   (( segid "    " and resid 47   and name HG21))
  OR 
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )
      5.000     5.000     0.000 peak  6335 weight  0.10000E+01 volume  0.65400E+00 ppm1      7.870 ppm2      1.019
 ASSI (
   (( segid "    " and resid 27   and name HN  ))
 )(
   (( segid "    " and resid 24   and name HG2 ))
 )
      5.000     5.000     0.000 peak  6339 weight  0.10000E+01 volume  0.12140E+01 ppm1      7.870 ppm2      1.400
 ASSI (
   (( segid "    " and resid 29   and name HN  ))
 )(
   (( segid "    " and resid 46   and name HB1 ))
  OR 
   (( segid "    " and resid 30   and name HB1 ))
 )
      6.000     6.000     0.000 peak  6367 weight  0.10000E+01 volume  0.22900E+00 ppm1      9.266 ppm2      1.845
 ASSI (
   (( segid "    " and resid 29   and name HN  ))
 )(
   (( segid "    " and resid 54   and name HH2 ))
  OR 
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )
      6.000     6.000     0.000 peak  6374 weight  0.10000E+01 volume  0.25500E+00 ppm1      9.268 ppm2      6.223
 ASSI (
   (( segid "    " and resid 29   and name HN  ))
 )(
   (( segid "    " and resid 54   and name HZ3 ))
 )
      6.000     6.000     0.000 peak  6375 weight  0.10000E+01 volume  0.26800E+00 ppm1      9.267 ppm2      6.694
 ASSI (
   (( segid "    " and resid 29   and name HN  ))
 )(
   (( segid "    " and resid 29   and name HG  ))
  OR 
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )
      5.000     5.000     0.000 peak  7946 weight  0.10000E+01 volume  0.10130E+01 ppm1      9.269 ppm2      1.507
 ASSI (
   (( segid "    " and resid 30   and name HN  ))
 )(
   (( segid "    " and resid 30   and name HA  ))
 )
      5.000     5.000     0.000 peak  6379 weight  0.10000E+01 volume  0.78900E+00 ppm1      8.741 ppm2      4.503
 ASSI (
   (( segid "    " and resid 32   and name HN  ))
 )(
   (( segid "    " and resid 45   and name HN  ))
  OR 
   (( segid "    " and resid 31   and name HD2 ))
  OR 
   (( segid "    " and resid 31   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5908 weight  0.10000E+01 volume  0.46400E+00 ppm1      8.929 ppm2      6.513
 ASSI (
   (( segid "    " and resid 34   and name HN  ))
 )(
   (( segid "    " and resid 37   and name HB1 ))
 )
      6.000     6.000     0.000 peak  6403 weight  0.10000E+01 volume  0.28900E+00 ppm1      7.387 ppm2      3.420
 ASSI (
   (( segid "    " and resid 37   and name HN  ))
 )(
   (( segid "    " and resid 36   and name HA2 ))
  OR 
   (( segid "    " and resid 33   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5938 weight  0.10000E+01 volume  0.65000E+00 ppm1      8.125 ppm2      3.230
 ASSI (
   (( segid "    " and resid 37   and name HN  ))
 )(
   (( segid "    " and resid 38   and name HA  ))
  OR 
   (( segid "    " and resid 35   and name HA  ))
 )
      5.000     5.000     0.000 peak  5934 weight  0.10000E+01 volume  0.94200E+00 ppm1      8.128 ppm2      4.345
 ASSI (
   (( segid "    " and resid 40   and name HN  ))
 )(
   (( segid "    " and resid 61   and name HB  ))
  OR 
   (( segid "    " and resid 39   and name HG2 ))
  OR 
   (( segid "    " and resid 39   and name HG1 ))
  OR 
   (( segid "    " and resid 38   and name HB  ))
 )
      5.000     5.000     0.000 peak  5948 weight  0.10000E+01 volume  0.79000E+00 ppm1      8.429 ppm2      1.758
 ASSI (
   (( segid "    " and resid 40   and name HN  ))
 )(
   (( segid "    " and resid 60   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB1 ))
  OR 
   (( segid "    " and resid 59   and name HB2 ))
 )
      6.000     6.000     0.000 peak  6434 weight  0.10000E+01 volume  0.26100E+00 ppm1      8.432 ppm2      2.964
 ASSI (
   (( segid "    " and resid 40   and name HN  ))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      3.300     3.300     0.000 peak  5950 weight  0.10000E+01 volume  0.20150E+01 ppm1      8.433 ppm2      4.635
 ASSI (
   (( segid "    " and resid 43   and name HN  ))
 )(
   (( segid "    " and resid 43   and name HB  ))
 )
      3.300     3.300     0.000 peak  6462 weight  0.10000E+01 volume  0.15310E+01 ppm1      8.262 ppm2      4.118
 ASSI (
   (( segid "    " and resid 43   and name HN  ))
 )(
   (( segid "    " and resid 42   and name HA  ))
 )
      3.300     3.300     0.000 peak  6463 weight  0.10000E+01 volume  0.21550E+01 ppm1      8.262 ppm2      4.348
 ASSI (
   (( segid "    " and resid 43   and name HN  ))
 )(
   (( segid "    " and resid 59   and name HA  ))
  OR 
   (( segid "    " and resid 39   and name HA  ))
 )
      5.000     5.000     0.000 peak  5954 weight  0.10000E+01 volume  0.61500E+00 ppm1      8.261 ppm2      4.646
 ASSI (
   (( segid "    " and resid 46   and name HN  ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )
      6.000     6.000     0.000 peak  6466 weight  0.10000E+01 volume  0.23200E+00 ppm1      8.481 ppm2      0.024
 ASSI (
   (( segid "    " and resid 46   and name HN  ))
 )(
   (( segid "    " and resid 43   and name HG23))
  OR 
   (( segid "    " and resid 43   and name HG21))
  OR 
   (( segid "    " and resid 28   and name HG23))
  OR 
   (( segid "    " and resid 28   and name HG22))
  OR 
   (( segid "    " and resid 28   and name HG21))
  OR 
   (( segid "    " and resid 5    and name HB1 ))
 )
      5.000     5.000     0.000 peak  6469 weight  0.10000E+01 volume  0.67200E+00 ppm1      8.482 ppm2      1.129
 ASSI (
   (( segid "    " and resid 46   and name HN  ))
 )(
   (( segid "    " and resid 30   and name HA  ))
 )
      5.000     5.000     0.000 peak  6474 weight  0.10000E+01 volume  0.34700E+00 ppm1      8.482 ppm2      4.502
 ASSI (
   (( segid "    " and resid 48   and name HN  ))
 )(
   (( segid "    " and resid 26   and name HA2 ))
  OR 
   (( segid "    " and resid 25   and name HA  ))
 )
      6.000     6.000     0.000 peak  6490 weight  0.10000E+01 volume  0.26900E+00 ppm1      8.511 ppm2      3.503
 ASSI (
   (( segid "    " and resid 48   and name HN  ))
 )(
   (( segid "    " and resid 54   and name HE3 ))
 )
      6.000     6.000     0.000 peak  6496 weight  0.10000E+01 volume  0.26000E+00 ppm1      8.513 ppm2      7.054
 ASSI (
   (( segid "    " and resid 49   and name HN  ))
 )(
   (( segid "    " and resid 49   and name HD22))
  OR 
   (( segid "    " and resid 49   and name HD21))
 )
      5.000     5.000     0.000 peak  6509 weight  0.10000E+01 volume  0.30700E+00 ppm1      9.050 ppm2      7.110
 ASSI (
   (( segid "    " and resid 51   and name HN  ))
 )(
   (( segid "    " and resid 55   and name HG23))
  OR 
   (( segid "    " and resid 55   and name HG22))
  OR 
   (( segid "    " and resid 55   and name HG21))
  OR 
   (( segid "    " and resid 47   and name HG23))
  OR 
   (( segid "    " and resid 47   and name HG22))
  OR 
   (( segid "    " and resid 47   and name HG21))
  OR 
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )
      6.000     6.000     0.000 peak  6525 weight  0.10000E+01 volume  0.24100E+00 ppm1      7.638 ppm2      0.995
 ASSI (
   (( segid "    " and resid 53   and name HN  ))
 )(
   (( segid "    " and resid 50   and name HB1 ))
  OR 
   (( segid "    " and resid 48   and name HA  ))
  OR 
   (( segid "    " and resid 3    and name HA2 ))
 )
      6.000     6.000     0.000 peak  6563 weight  0.10000E+01 volume  0.26800E+00 ppm1      7.509 ppm2      3.968
 ASSI (
   (( segid "    " and resid 53   and name HN  ))
 )(
   (( segid "    " and resid 49   and name HD22))
  OR 
   (( segid "    " and resid 49   and name HD21))
 )
      5.000     5.000     0.000 peak  6566 weight  0.10000E+01 volume  0.42900E+00 ppm1      7.509 ppm2      7.141
 ASSI (
   (( segid "    " and resid 54   and name HN  ))
 )(
   (( segid "    " and resid 56   and name HE2 ))
  OR 
   (( segid "    " and resid 56   and name HE1 ))
 )
      5.000     5.000     0.000 peak  6578 weight  0.10000E+01 volume  0.42800E+00 ppm1      8.390 ppm2      6.653
 ASSI (
   (( segid "    " and resid 54   and name HN  ))
 )(
   (( segid "    " and resid 54   and name HE3 ))
 )
      5.000     5.000     0.000 peak  6579 weight  0.10000E+01 volume  0.66100E+00 ppm1      8.388 ppm2      7.051
 ASSI (
   (( segid "    " and resid 54   and name HN  ))
 )(
   (( segid "    " and resid 54   and name HB2 ))
  OR 
   (( segid "    " and resid 49   and name HB2 ))
 )
      3.300     3.300     0.000 peak  6571 weight  0.10000E+01 volume  0.21890E+01 ppm1      8.390 ppm2      2.893
 ASSI (
   (( segid "    " and resid 54   and name HN  ))
 )(
   (( segid "    " and resid 52   and name HA2 ))
  OR 
   (( segid "    " and resid 49   and name HB1 ))
  OR 
   (( segid "    " and resid 6    and name HD1 ))
 )
      5.000     5.000     0.000 peak  6575 weight  0.10000E+01 volume  0.88000E+00 ppm1      8.390 ppm2      3.411
 ASSI (
   (( segid "    " and resid 54   and name HN  ))
 )(
   (( segid "    " and resid 53   and name HA  ))
 )
      2.700     2.700     0.000 peak  6001 weight  0.10000E+01 volume  0.39430E+01 ppm1      8.388 ppm2      4.491
 ASSI (
   (( segid "    " and resid 54   and name HE1 ))
 )(
   (( segid "    " and resid 5    and name HB2 ))
 )
      6.000     6.000     0.000 peak  6699 weight  0.10000E+01 volume  0.15800E+00 ppm1     10.001 ppm2      0.236
 ASSI (
   (( segid "    " and resid 54   and name HE1 ))
 )(
   (( segid "    " and resid 23   and name HB2 ))
  OR 
   (( segid "    " and resid 6    and name HD2 ))
  OR 
   (( segid "    " and resid 1    and name HB1 ))
 )
      5.000     5.000     0.000 peak  6698 weight  0.10000E+01 volume  0.43000E+00 ppm1     10.000 ppm2      2.721
 ASSI (
   (( segid "    " and resid 54   and name HE1 ))
 )(
   (( segid "    " and resid 2    and name HA  ))
 )
      6.000     6.000     0.000 peak  6691 weight  0.10000E+01 volume  0.28800E+00 ppm1     10.001 ppm2      4.543
 ASSI (
   (( segid "    " and resid 55   and name HN  ))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      6.000     6.000     0.000 peak  6595 weight  0.10000E+01 volume  0.23300E+00 ppm1      9.612 ppm2      6.813
 ASSI (
   (( segid "    " and resid 55   and name HN  ))
 )(
   (( segid "    " and resid 54   and name HE3 ))
 )
      5.000     5.000     0.000 peak  6007 weight  0.10000E+01 volume  0.34200E+00 ppm1      9.613 ppm2      7.051
 ASSI (
   (( segid "    " and resid 56   and name HN  ))
 )(
   (( segid "    " and resid 56   and name HA  ))
 )
      5.000     5.000     0.000 peak  6600 weight  0.10000E+01 volume  0.68600E+00 ppm1      7.806 ppm2      4.968
 ASSI (
   (( segid "    " and resid 56   and name HN  ))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6014 weight  0.10000E+01 volume  0.48300E+00 ppm1      7.806 ppm2      6.815
 ASSI (
   (( segid "    " and resid 57   and name HN  ))
 )(
   (( segid "    " and resid 59   and name HB2 ))
  OR 
   (( segid "    " and resid 54   and name HB2 ))
 )
      6.000     6.000     0.000 peak  6607 weight  0.10000E+01 volume  0.27600E+00 ppm1      8.540 ppm2      2.937
 ASSI (
   (( segid "    " and resid 57   and name HN  ))
 )(
   (( segid "    " and resid 56   and name HA  ))
 )
      3.300     3.300     0.000 peak  6609 weight  0.10000E+01 volume  0.28070E+01 ppm1      8.539 ppm2      4.978
 ASSI (
   (( segid "    " and resid 57   and name HN  ))
 )(
   (( segid "    " and resid 59   and name HD2 ))
  OR 
   (( segid "    " and resid 59   and name HD1 ))
  OR 
   (( segid "    " and resid 56   and name HN  ))
 )
      5.000     5.000     0.000 peak  6019 weight  0.10000E+01 volume  0.75400E+00 ppm1      8.539 ppm2      7.760
 ASSI (
   (( segid "    " and resid 58   and name HN  ))
 )(
   (( segid "    " and resid 59   and name HA  ))
 )
      5.000     5.000     0.000 peak  6023 weight  0.10000E+01 volume  0.35600E+00 ppm1      8.267 ppm2      4.631
 ASSI (
   (( segid "    " and resid 63   and name HN  ))
 )(
   (( segid "    " and resid 63   and name HB2 ))
  OR 
   (( segid "    " and resid 61   and name HG11))
 )
      5.000     5.000     0.000 peak  6037 weight  0.10000E+01 volume  0.84700E+00 ppm1      7.813 ppm2      1.233
 ASSI (
   (( segid "    " and resid 63   and name HN  ))
 )(
   (( segid "    " and resid 64   and name HG2 ))
  OR 
   (( segid "    " and resid 64   and name HG1 ))
  OR 
   (( segid "    " and resid 63   and name HD2 ))
  OR 
   (( segid "    " and resid 63   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6624 weight  0.10000E+01 volume  0.75000E+00 ppm1      7.815 ppm2      1.288
 ASSI (
   (( segid "    " and resid 63   and name HN  ))
 )(
   (( segid "    " and resid 37   and name HA  ))
 )
      5.000     5.000     0.000 peak  6028 weight  0.10000E+01 volume  0.72300E+00 ppm1      7.815 ppm2      5.002
 ASSI (
   (( segid "    " and resid 64   and name HN  ))
 )(
   (( segid "    " and resid 85   and name HN  ))
  OR 
   (( segid "    " and resid 65   and name HN  ))
 )
      6.000     6.000     0.000 peak  6635 weight  0.10000E+01 volume  0.20500E+00 ppm1      7.729 ppm2      8.544
 ASSI (
   (( segid "    " and resid 64   and name HE  ))
 )(
   (( segid "    " and resid 64   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8259 weight  0.10000E+01 volume  0.47500E+00 ppm1      7.070 ppm2      1.393
 ASSI (
   (( segid "    " and resid 66   and name HN  ))
 )(
   (( segid "    " and resid 66   and name HB2 ))
 )
      2.700     2.700     0.000 peak  6646 weight  0.10000E+01 volume  0.35000E+01 ppm1      8.348 ppm2      1.766
 ASSI (
   (( segid "    " and resid 67   and name HN  ))
 )(
   (( segid "    " and resid 115  and name HZ2 ))
  OR 
   (( segid "    " and resid 67   and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HE  ))
 )
      6.000     6.000     0.000 peak  6733 weight  0.10000E+01 volume  0.24700E+00 ppm1      8.932 ppm2      7.176
 ASSI (
   (( segid "    " and resid 67   and name HN  ))
 )(
   (( segid "    " and resid 65   and name HN  ))
 )
      6.000     6.000     0.000 peak  6732 weight  0.10000E+01 volume  0.12400E+00 ppm1      8.937 ppm2      8.531
 ASSI (
   (( segid "    " and resid 69   and name HN  ))
 )(
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
  OR 
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      5.000     5.000     0.000 peak  6067 weight  0.10000E+01 volume  0.39700E+00 ppm1      9.613 ppm2      0.509
 ASSI (
   (( segid "    " and resid 69   and name HN  ))
 )(
   (( segid "    " and resid 68   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6734 weight  0.10000E+01 volume  0.32700E+00 ppm1      9.615 ppm2      3.181
 ASSI (
   (( segid "    " and resid 70   and name HN  ))
 )(
   (( segid "    " and resid 69   and name HA1 ))
 )
      2.700     2.700     0.000 peak  6070 weight  0.10000E+01 volume  0.33610E+01 ppm1      7.730 ppm2      4.217
 ASSI (
   (( segid "    " and resid 71   and name HN  ))
 )(
   (( segid "    " and resid 120  and name HD2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 70   and name HG2 ))
 )
      5.000     5.000     0.000 peak  6748 weight  0.10000E+01 volume  0.53300E+00 ppm1      8.286 ppm2      2.026
 ASSI (
   (( segid "    " and resid 71   and name HN  ))
 )(
   (( segid "    " and resid 120  and name HD1 ))
  OR 
   (( segid "    " and resid 75   and name HG2 ))
  OR 
   (( segid "    " and resid 75   and name HG1 ))
  OR 
   (( segid "    " and resid 70   and name HG1 ))
 )
      5.000     5.000     0.000 peak  6747 weight  0.10000E+01 volume  0.64200E+00 ppm1      8.287 ppm2      2.141
 ASSI (
   (( segid "    " and resid 71   and name HN  ))
 )(
   (( segid "    " and resid 91   and name HB2 ))
  OR 
   (( segid "    " and resid 91   and name HB1 ))
  OR 
   (( segid "    " and resid 73   and name HA  ))
  OR 
   (( segid "    " and resid 72   and name HA  ))
 )
      6.000     6.000     0.000 peak  6746 weight  0.10000E+01 volume  0.26000E+00 ppm1      8.287 ppm2      3.784
 ASSI (
   (( segid "    " and resid 72   and name HN  ))
 )(
   (( segid "    " and resid 120  and name HD2 ))
  OR 
   (( segid "    " and resid 118  and name HB2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
  OR 
   (( segid "    " and resid 70   and name HG2 ))
 )
      6.000     6.000     0.000 peak  6754 weight  0.10000E+01 volume  0.21100E+00 ppm1      8.514 ppm2      2.041
 ASSI (
   (( segid "    " and resid 73   and name HN  ))
 )(
   (( segid "    " and resid 72   and name HG1 ))
  OR 
   (( segid "    " and resid 72   and name HB2 ))
  OR 
   (( segid "    " and resid 71   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6099 weight  0.10000E+01 volume  0.13490E+01 ppm1      8.869 ppm2      1.551
 ASSI (
   (( segid "    " and resid 73   and name HN  ))
 )(
   (( segid "    " and resid 73   and name HB1 ))
  OR 
   (( segid "    " and resid 70   and name HG1 ))
 )
      5.000     5.000     0.000 peak  6100 weight  0.10000E+01 volume  0.33500E+00 ppm1      8.869 ppm2      2.118
 ASSI (
   (( segid "    " and resid 73   and name HN  ))
 )(
   (( segid "    " and resid 73   and name HA  ))
  OR 
   (( segid "    " and resid 72   and name HA  ))
 )
      2.700     2.700     0.000 peak  6101 weight  0.10000E+01 volume  0.60990E+01 ppm1      8.869 ppm2      3.804
 ASSI (
   (( segid "    " and resid 73   and name HN  ))
 )(
   (( segid "    " and resid 74   and name HA2 ))
  OR 
   (( segid "    " and resid 70   and name HA  ))
 )
      6.000     6.000     0.000 peak  6756 weight  0.10000E+01 volume  0.24000E+00 ppm1      8.869 ppm2      4.105
 ASSI (
   (( segid "    " and resid 73   and name HN  ))
 )(
   (( segid "    " and resid 93   and name HA  ))
  OR 
   (( segid "    " and resid 74   and name HA1 ))
  OR 
   (( segid "    " and resid 71   and name HA  ))
 )
      5.000     5.000     0.000 peak  6103 weight  0.10000E+01 volume  0.32800E+00 ppm1      8.868 ppm2      4.302
 ASSI (
   (( segid "    " and resid 73   and name HD21))
 )(
   (( segid "    " and resid 122  and name HB1 ))
 )
      6.000     6.000     0.000 peak  8765 weight  0.10000E+01 volume  0.17500E+00 ppm1      7.311 ppm2      2.752
 ASSI (
   (( segid "    " and resid 73   and name HD22))
 )(
   (( segid "    " and resid 72   and name HD2 ))
  OR 
   (( segid "    " and resid 72   and name HD1 ))
 )
      6.000     6.000     0.000 peak  8764 weight  0.10000E+01 volume  0.16200E+00 ppm1      6.752 ppm2      3.108
 ASSI (
   (( segid "    " and resid 74   and name HN  ))
 )(
   (( segid "    " and resid 76   and name HG13))
  OR 
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 76   and name HG11))
  OR 
   (( segid "    " and resid 73   and name HB2 ))
  OR 
   (( segid "    " and resid 71   and name HG  ))
 )
      5.000     5.000     0.000 peak  6106 weight  0.10000E+01 volume  0.89600E+00 ppm1      7.633 ppm2      0.986
 ASSI (
   (( segid "    " and resid 74   and name HN  ))
 )(
   (( segid "    " and resid 72   and name HG1 ))
  OR 
   (( segid "    " and resid 72   and name HB2 ))
  OR 
   (( segid "    " and resid 71   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6107 weight  0.10000E+01 volume  0.50100E+00 ppm1      7.632 ppm2      1.535
 ASSI (
   (( segid "    " and resid 74   and name HN  ))
 )(
   (( segid "    " and resid 75   and name HG2 ))
  OR 
   (( segid "    " and resid 75   and name HG1 ))
  OR 
   (( segid "    " and resid 73   and name HB1 ))
  OR 
   (( segid "    " and resid 70   and name HG1 ))
 )
      6.000     6.000     0.000 peak  6108 weight  0.10000E+01 volume  0.29800E+00 ppm1      7.632 ppm2      2.117
 ASSI (
   (( segid "    " and resid 74   and name HN  ))
 )(
   (( segid "    " and resid 122  and name HA  ))
  OR 
   (( segid "    " and resid 92   and name HA  ))
 )
      6.000     6.000     0.000 peak  6114 weight  0.10000E+01 volume  0.29400E+00 ppm1      7.632 ppm2      5.253
 ASSI (
   (( segid "    " and resid 74   and name HN  ))
 )(
   (( segid "    " and resid 76   and name HN  ))
  OR 
   (( segid "    " and resid 71   and name HN  ))
 )
      5.000     5.000     0.000 peak  6115 weight  0.10000E+01 volume  0.38100E+00 ppm1      7.632 ppm2      8.333
 ASSI (
   (( segid "    " and resid 75   and name HN  ))
 )(
   (( segid "    " and resid 98   and name HB1 ))
  OR 
   (( segid "    " and resid 71   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6766 weight  0.10000E+01 volume  0.49700E+00 ppm1      8.798 ppm2      1.532
 ASSI (
   (( segid "    " and resid 75   and name HN  ))
 )(
   (( segid "    " and resid 75   and name HG2 ))
  OR 
   (( segid "    " and resid 75   and name HG1 ))
  OR 
   (( segid "    " and resid 70   and name HG1 ))
 )
      5.000     5.000     0.000 peak  6767 weight  0.10000E+01 volume  0.97300E+00 ppm1      8.798 ppm2      2.118
 ASSI (
   (( segid "    " and resid 75   and name HN  ))
 )(
   (( segid "    " and resid 75   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6118 weight  0.10000E+01 volume  0.13300E+01 ppm1      8.799 ppm2      1.840
 ASSI (
   (( segid "    " and resid 76   and name HN  ))
 )(
   (( segid "    " and resid 78   and name HB  ))
  OR 
   (( segid "    " and resid 77   and name HB2 ))
  OR 
   (( segid "    " and resid 77   and name HB1 ))
  OR 
   (( segid "    " and resid 75   and name HB2 ))
  OR 
   (( segid "    " and resid 70   and name HB2 ))
  OR 
   (( segid "    " and resid 70   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6130 weight  0.10000E+01 volume  0.12390E+01 ppm1      8.342 ppm2      1.805
 ASSI (
   (( segid "    " and resid 76   and name HN  ))
 )(
   (( segid "    " and resid 75   and name HN  ))
 )
      5.000     5.000     0.000 peak  6774 weight  0.10000E+01 volume  0.57800E+00 ppm1      8.340 ppm2      8.802
 ASSI (
   (( segid "    " and resid 77   and name HN  ))
 )(
   (( segid "    " and resid 88   and name HB  ))
 )
      6.000     6.000     0.000 peak  6777 weight  0.10000E+01 volume  0.27200E+00 ppm1      9.246 ppm2      1.153
 ASSI (
   (( segid "    " and resid 77   and name HN  ))
 )(
   (( segid "    " and resid 77   and name HG2 ))
  OR 
   (( segid "    " and resid 76   and name HB  ))
 )
      5.000     5.000     0.000 peak  6778 weight  0.10000E+01 volume  0.12290E+01 ppm1      9.246 ppm2      2.000
 ASSI (
   (( segid "    " and resid 77   and name HN  ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6787 weight  0.10000E+01 volume  0.36200E+00 ppm1      9.246 ppm2      7.022
 ASSI (
   (( segid "    " and resid 78   and name HN  ))
 )(
   (( segid "    " and resid 77   and name HN  ))
 )
      5.000     5.000     0.000 peak  6791 weight  0.10000E+01 volume  0.49700E+00 ppm1      8.510 ppm2      9.250
 ASSI (
   (( segid "    " and resid 78   and name HN  ))
 )(
   (( segid "    " and resid 78   and name HB  ))
  OR 
   (( segid "    " and resid 77   and name HB2 ))
  OR 
   (( segid "    " and resid 77   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6798 weight  0.10000E+01 volume  0.24970E+01 ppm1      8.510 ppm2      1.800
 ASSI (
   (( segid "    " and resid 79   and name HN  ))
 )(
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      5.000     5.000     0.000 peak  6800 weight  0.10000E+01 volume  0.51300E+00 ppm1      7.862 ppm2      0.480
 ASSI (
   (( segid "    " and resid 79   and name HN  ))
 )(
   (( segid "    " and resid 88   and name HB  ))
  OR 
   (( segid "    " and resid 80   and name HG23))
  OR 
   (( segid "    " and resid 80   and name HG22))
  OR 
   (( segid "    " and resid 80   and name HG21))
 )
      5.000     5.000     0.000 peak  6802 weight  0.10000E+01 volume  0.63400E+00 ppm1      7.860 ppm2      1.127
 ASSI (
   (( segid "    " and resid 79   and name HN  ))
 )(
   (( segid "    " and resid 79   and name HG2 ))
  OR 
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      3.300     3.300     0.000 peak  6803 weight  0.10000E+01 volume  0.17710E+01 ppm1      7.860 ppm2      1.348
 ASSI (
   (( segid "    " and resid 79   and name HN  ))
 )(
   (( segid "    " and resid 81   and name HA  ))
  OR 
   (( segid "    " and resid 80   and name HA  ))
  OR 
   (( segid "    " and resid 77   and name HA  ))
 )
      5.000     5.000     0.000 peak  6812 weight  0.10000E+01 volume  0.41700E+00 ppm1      7.861 ppm2      4.427
 ASSI (
   (( segid "    " and resid 79   and name HN  ))
 )(
   (( segid "    " and resid 88   and name HA  ))
  OR 
   (( segid "    " and resid 82   and name HA  ))
 )
      6.000     6.000     0.000 peak  6813 weight  0.10000E+01 volume  0.29200E+00 ppm1      7.862 ppm2      4.697
 ASSI (
   (( segid "    " and resid 81   and name HN  ))
 )(
   (( segid "    " and resid 79   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6835 weight  0.10000E+01 volume  0.72500E+00 ppm1      8.731 ppm2      1.877
 ASSI (
   (( segid "    " and resid 81   and name HN  ))
 )(
   (( segid "    " and resid 81   and name HB2 ))
  OR 
   (( segid "    " and resid 79   and name HE2 ))
 )
      5.000     5.000     0.000 peak  6836 weight  0.10000E+01 volume  0.94200E+00 ppm1      8.732 ppm2      2.782
 ASSI (
   (( segid "    " and resid 81   and name HN  ))
 )(
   (( segid "    " and resid 83   and name HA  ))
  OR 
   (( segid "    " and resid 80   and name HB  ))
  OR 
   (( segid "    " and resid 79   and name HA  ))
 )
      3.300     3.300     0.000 peak  6840 weight  0.10000E+01 volume  0.25460E+01 ppm1      8.733 ppm2      4.253
 ASSI (
   (( segid "    " and resid 81   and name HN  ))
 )(
   (( segid "    " and resid 81   and name HA  ))
  OR 
   (( segid "    " and resid 80   and name HA  ))
 )
      2.700     2.700     0.000 peak  6842 weight  0.10000E+01 volume  0.31700E+01 ppm1      8.733 ppm2      4.444
 ASSI (
   (( segid "    " and resid 81   and name HN  ))
 )(
   (( segid "    " and resid 83   and name HN  ))
  OR 
   (( segid "    " and resid 82   and name HN  ))
  OR 
   (( segid "    " and resid 79   and name HN  ))
 )
      5.000     5.000     0.000 peak  6355 weight  0.10000E+01 volume  0.67100E+00 ppm1      8.733 ppm2      7.902
 ASSI (
   (( segid "    " and resid 82   and name HN  ))
 )(
   (( segid "    " and resid 83   and name HA  ))
  OR 
   (( segid "    " and resid 80   and name HB  ))
  OR 
   (( segid "    " and resid 79   and name HA  ))
  OR 
   (( segid "    " and resid 67   and name HA  ))
  OR 
   (( segid "    " and resid 66   and name HA  ))
 )
      5.000     5.000     0.000 peak  6860 weight  0.10000E+01 volume  0.38100E+00 ppm1      7.929 ppm2      4.258
 ASSI (
   (( segid "    " and resid 83   and name HN  ))
 )(
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
  OR 
   (( segid "    " and resid 64   and name HB2 ))
  OR 
   (( segid "    " and resid 63   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6868 weight  0.10000E+01 volume  0.39400E+00 ppm1      7.910 ppm2      1.396
 ASSI (
   (( segid "    " and resid 83   and name HN  ))
 )(
   (( segid "    " and resid 82   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6871 weight  0.10000E+01 volume  0.92100E+00 ppm1      7.911 ppm2      1.971
 ASSI (
   (( segid "    " and resid 83   and name HN  ))
 )(
   (( segid "    " and resid 86   and name HB2 ))
  OR 
   (( segid "    " and resid 86   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6878 weight  0.10000E+01 volume  0.83000E+00 ppm1      7.911 ppm2      3.973
 ASSI (
   (( segid "    " and resid 83   and name HN  ))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      5.000     5.000     0.000 peak  6882 weight  0.10000E+01 volume  0.13440E+01 ppm1      7.912 ppm2      4.646
 ASSI (
   (( segid "    " and resid 83   and name HN  ))
 )(
   (( segid "    " and resid 84   and name HN  ))
 )
      5.000     5.000     0.000 peak  6883 weight  0.10000E+01 volume  0.11720E+01 ppm1      7.912 ppm2      8.149
 ASSI (
   (( segid "    " and resid 84   and name HN  ))
 )(
   (( segid "    " and resid 64   and name HB2 ))
  OR 
   (( segid "    " and resid 63   and name HD1 ))
  OR 
   (( segid "    " and resid 63   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6886 weight  0.10000E+01 volume  0.57400E+00 ppm1      8.157 ppm2      1.415
 ASSI (
   (( segid "    " and resid 84   and name HN  ))
 )(
   (( segid "    " and resid 106  and name HB2 ))
  OR 
   (( segid "    " and resid 82   and name HG  ))
  OR 
   (( segid "    " and resid 82   and name HB2 ))
  OR 
   (( segid "    " and resid 64   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6888 weight  0.10000E+01 volume  0.78100E+00 ppm1      8.156 ppm2      1.611
 ASSI (
   (( segid "    " and resid 84   and name HN  ))
 )(
   (( segid "    " and resid 84   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6890 weight  0.10000E+01 volume  0.15770E+01 ppm1      8.155 ppm2      2.752
 ASSI (
   (( segid "    " and resid 84   and name HN  ))
 )(
   (( segid "    " and resid 64   and name HA  ))
 )
      5.000     5.000     0.000 peak  6896 weight  0.10000E+01 volume  0.73200E+00 ppm1      8.156 ppm2      4.517
 ASSI (
   (( segid "    " and resid 84   and name HN  ))
 )(
   (( segid "    " and resid 85   and name HN  ))
  OR 
   (( segid "    " and resid 65   and name HN  ))
 )
      5.000     5.000     0.000 peak  6898 weight  0.10000E+01 volume  0.54500E+00 ppm1      8.158 ppm2      8.543
 ASSI (
   (( segid "    " and resid 87   and name HN  ))
 )(
   (( segid "    " and resid 87   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6912 weight  0.10000E+01 volume  0.13860E+01 ppm1      8.713 ppm2      1.877
 ASSI (
   (( segid "    " and resid 87   and name HN  ))
 )(
   (( segid "    " and resid 86   and name HB2 ))
  OR 
   (( segid "    " and resid 86   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6915 weight  0.10000E+01 volume  0.18820E+01 ppm1      8.712 ppm2      3.974
 ASSI (
   (( segid "    " and resid 87   and name HN  ))
 )(
   (( segid "    " and resid 87   and name HG2 ))
  OR 
   (( segid "    " and resid 87   and name HG1 ))
 )
      5.000     5.000     0.000 peak  6914 weight  0.10000E+01 volume  0.49800E+00 ppm1      8.713 ppm2      2.184
 ASSI (
   (( segid "    " and resid 87   and name HE21))
 )(
   (( segid "    " and resid 103  and name HG23))
  OR 
   (( segid "    " and resid 103  and name HG22))
  OR 
   (( segid "    " and resid 103  and name HG21))
 )
      5.000     5.000     0.000 peak  9038 weight  0.10000E+01 volume  0.59300E+00 ppm1      7.539 ppm2      1.073
 ASSI (
   (( segid "    " and resid 87   and name HE21))
 )(
   (( segid "    " and resid 89   and name HB1 ))
  OR 
   (( segid "    " and resid 87   and name HB1 ))
 )
      5.000     5.000     0.000 peak  9036 weight  0.10000E+01 volume  0.48800E+00 ppm1      7.538 ppm2      1.957
 ASSI (
   (( segid "    " and resid 87   and name HE22))
 )(
   (( segid "    " and resid 89   and name HB1 ))
  OR 
   (( segid "    " and resid 87   and name HB1 ))
  OR 
   (( segid "    " and resid 77   and name HG2 ))
 )
      5.000     5.000     0.000 peak  9037 weight  0.10000E+01 volume  0.31800E+00 ppm1      6.800 ppm2      1.958
 ASSI (
   (( segid "    " and resid 88   and name HN  ))
 )(
   (( segid "    " and resid 87   and name HG2 ))
  OR 
   (( segid "    " and resid 87   and name HG1 ))
 )
      5.000     5.000     0.000 peak  6929 weight  0.10000E+01 volume  0.10050E+01 ppm1      8.806 ppm2      2.191
 ASSI (
   (( segid "    " and resid 88   and name HN  ))
 )(
   (( segid "    " and resid 89   and name HN  ))
  OR 
   (( segid "    " and resid 79   and name HN  ))
 )
      5.000     5.000     0.000 peak  6934 weight  0.10000E+01 volume  0.39000E+00 ppm1      8.810 ppm2      7.819
 ASSI (
   (( segid "    " and resid 90   and name HN  ))
 )(
   (( segid "    " and resid 103  and name HG23))
  OR 
   (( segid "    " and resid 103  and name HG22))
  OR 
   (( segid "    " and resid 103  and name HG21))
  OR 
   (( segid "    " and resid 98   and name HG  ))
 )
      5.000     5.000     0.000 peak  6939 weight  0.10000E+01 volume  0.55600E+00 ppm1      8.379 ppm2      1.068
 ASSI (
   (( segid "    " and resid 90   and name HN  ))
 )(
   (( segid "    " and resid 90   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6940 weight  0.10000E+01 volume  0.86700E+00 ppm1      8.379 ppm2      2.534
 ASSI (
   (( segid "    " and resid 90   and name HN  ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6943 weight  0.10000E+01 volume  0.75100E+00 ppm1      8.379 ppm2      7.019
 ASSI (
   (( segid "    " and resid 91   and name HN  ))
 )(
   (( segid "    " and resid 98   and name HB1 ))
  OR 
   (( segid "    " and resid 72   and name HB2 ))
  OR 
   (( segid "    " and resid 71   and name HB1 ))
 )
      6.000     6.000     0.000 peak  6950 weight  0.10000E+01 volume  0.21300E+00 ppm1      8.245 ppm2      1.508
 ASSI (
   (( segid "    " and resid 91   and name HN  ))
 )(
   (( segid "    " and resid 77   and name HB2 ))
  OR 
   (( segid "    " and resid 77   and name HB1 ))
  OR 
   (( segid "    " and resid 75   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6951 weight  0.10000E+01 volume  0.37000E+00 ppm1      8.245 ppm2      1.795
 ASSI (
   (( segid "    " and resid 91   and name HN  ))
 )(
   (( segid "    " and resid 89   and name HG2 ))
  OR 
   (( segid "    " and resid 89   and name HG1 ))
  OR 
   (( segid "    " and resid 77   and name HG1 ))
  OR 
   (( segid "    " and resid 75   and name HG2 ))
  OR 
   (( segid "    " and resid 75   and name HG1 ))
  OR 
   (( segid "    " and resid 73   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6952 weight  0.10000E+01 volume  0.36600E+00 ppm1      8.244 ppm2      2.095
 ASSI (
   (( segid "    " and resid 91   and name HN  ))
 )(
   (( segid "    " and resid 94   and name HA  ))
  OR 
   (( segid "    " and resid 74   and name HA2 ))
  OR 
   (( segid "    " and resid 70   and name HA  ))
 )
      5.000     5.000     0.000 peak  6958 weight  0.10000E+01 volume  0.50000E+00 ppm1      8.246 ppm2      4.114
 ASSI (
   (( segid "    " and resid 91   and name HN  ))
 )(
   (( segid "    " and resid 102  and name HA  ))
  OR 
   (( segid "    " and resid 93   and name HA  ))
  OR 
   (( segid "    " and resid 76   and name HA  ))
  OR 
   (( segid "    " and resid 74   and name HA1 ))
  OR 
   (( segid "    " and resid 71   and name HA  ))
 )
      5.000     5.000     0.000 peak  6959 weight  0.10000E+01 volume  0.77900E+00 ppm1      8.246 ppm2      4.301
 ASSI (
   (( segid "    " and resid 91   and name HN  ))
 )(
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6963 weight  0.10000E+01 volume  0.68300E+00 ppm1      8.245 ppm2      7.019
 ASSI (
   (( segid "    " and resid 92   and name HN  ))
 )(
   (( segid "    " and resid 96   and name HB1 ))
 )
      6.000     6.000     0.000 peak  6975 weight  0.10000E+01 volume  0.21300E+00 ppm1      8.713 ppm2      3.203
 ASSI (
   (( segid "    " and resid 92   and name HN  ))
 )(
   (( segid "    " and resid 95   and name HA1 ))
  OR 
   (( segid "    " and resid 94   and name HA  ))
  OR 
   (( segid "    " and resid 74   and name HA2 ))
 )
      5.000     5.000     0.000 peak  6978 weight  0.10000E+01 volume  0.32200E+00 ppm1      8.714 ppm2      4.110
 ASSI (
   (( segid "    " and resid 93   and name HN  ))
 )(
   (( segid "    " and resid 76   and name HG12))
  OR 
   (( segid "    " and resid 73   and name HB2 ))
  OR 
   (( segid "    " and resid 71   and name HG  ))
 )
      6.000     6.000     0.000 peak  6987 weight  0.10000E+01 volume  0.21200E+00 ppm1      8.887 ppm2      0.978
 ASSI (
   (( segid "    " and resid 93   and name HN  ))
 )(
   (( segid "    " and resid 75   and name HG2 ))
  OR 
   (( segid "    " and resid 75   and name HG1 ))
  OR 
   (( segid "    " and resid 73   and name HB1 ))
 )
      6.000     6.000     0.000 peak  6988 weight  0.10000E+01 volume  0.16300E+00 ppm1      8.888 ppm2      2.108
 ASSI (
   (( segid "    " and resid 93   and name HN  ))
 )(
   (( segid "    " and resid 96   and name HB1 ))
 )
      6.000     6.000     0.000 peak  6993 weight  0.10000E+01 volume  0.24400E+00 ppm1      8.887 ppm2      3.214
 ASSI (
   (( segid "    " and resid 93   and name HN  ))
 )(
   (( segid "    " and resid 74   and name HA2 ))
 )
      5.000     5.000     0.000 peak  6999 weight  0.10000E+01 volume  0.11690E+01 ppm1      8.886 ppm2      4.111
 ASSI (
   (( segid "    " and resid 93   and name HN  ))
 )(
   (( segid "    " and resid 93   and name HA  ))
  OR 
   (( segid "    " and resid 74   and name HA1 ))
 )
      3.300     3.300     0.000 peak  7000 weight  0.10000E+01 volume  0.17270E+01 ppm1      8.885 ppm2      4.315
 ASSI (
   (( segid "    " and resid 93   and name HN  ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
  OR 
   (( segid "    " and resid 73   and name HD22))
 )
      6.000     6.000     0.000 peak  7004 weight  0.10000E+01 volume  0.27800E+00 ppm1      8.886 ppm2      6.710
 ASSI (
   (( segid "    " and resid 94   and name HN  ))
 )(
   (( segid "    " and resid 95   and name HN  ))
  OR 
   (( segid "    " and resid 93   and name HN  ))
 )
      5.000     5.000     0.000 peak  7008 weight  0.10000E+01 volume  0.92200E+00 ppm1      8.426 ppm2      8.889
 ASSI (
   (( segid "    " and resid 95   and name HN  ))
 )(
   (( segid "    " and resid 125  and name HD23))
  OR 
   (( segid "    " and resid 125  and name HD22))
  OR 
   (( segid "    " and resid 125  and name HD21))
  OR 
   (( segid "    " and resid 125  and name HD13))
  OR 
   (( segid "    " and resid 125  and name HD12))
  OR 
   (( segid "    " and resid 125  and name HD11))
  OR 
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )
      6.000     6.000     0.000 peak  7014 weight  0.10000E+01 volume  0.20900E+00 ppm1      8.876 ppm2      0.627
 ASSI (
   (( segid "    " and resid 95   and name HN  ))
 )(
   (( segid "    " and resid 95   and name HA1 ))
  OR 
   (( segid "    " and resid 94   and name HA  ))
 )
      2.700     2.700     0.000 peak  7024 weight  0.10000E+01 volume  0.51000E+01 ppm1      8.878 ppm2      4.138
 ASSI (
   (( segid "    " and resid 96   and name HN  ))
 )(
   (( segid "    " and resid 125  and name HD23))
  OR 
   (( segid "    " and resid 125  and name HD22))
  OR 
   (( segid "    " and resid 125  and name HD21))
  OR 
   (( segid "    " and resid 125  and name HD13))
  OR 
   (( segid "    " and resid 125  and name HD12))
  OR 
   (( segid "    " and resid 125  and name HD11))
  OR 
   (( segid "    " and resid 124  and name HG23))
  OR 
   (( segid "    " and resid 124  and name HG22))
  OR 
   (( segid "    " and resid 124  and name HG21))
 )
      6.000     6.000     0.000 peak  7030 weight  0.10000E+01 volume  0.28800E+00 ppm1      8.165 ppm2      0.627
 ASSI (
   (( segid "    " and resid 96   and name HN  ))
 )(
   (( segid "    " and resid 96   and name HB2 ))
 )
      5.000     5.000     0.000 peak  7033 weight  0.10000E+01 volume  0.12180E+01 ppm1      8.165 ppm2      2.475
 ASSI (
   (( segid "    " and resid 96   and name HN  ))
 )(
   (( segid "    " and resid 97   and name HB1 ))
  OR 
   (( segid "    " and resid 92   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7034 weight  0.10000E+01 volume  0.56100E+00 ppm1      8.166 ppm2      2.938
 ASSI (
   (( segid "    " and resid 96   and name HN  ))
 )(
   (( segid "    " and resid 122  and name HA  ))
  OR 
   (( segid "    " and resid 92   and name HA  ))
 )
      6.000     6.000     0.000 peak  7041 weight  0.10000E+01 volume  0.20000E+00 ppm1      8.163 ppm2      5.243
 ASSI (
   (( segid "    " and resid 97   and name HN  ))
 )(
   (( segid "    " and resid 121  and name HN  ))
  OR 
   (( segid "    " and resid 98   and name HN  ))
 )
      5.000     5.000     0.000 peak  7324 weight  0.10000E+01 volume  0.12270E+01 ppm1      9.718 ppm2      7.966
 ASSI (
   (( segid "    " and resid 97   and name HN  ))
 )(
   (( segid "    " and resid 125  and name HG  ))
  OR 
   (( segid "    " and resid 125  and name HB2 ))
  OR 
   (( segid "    " and resid 125  and name HB1 ))
 )
      5.000     5.000     0.000 peak  7050 weight  0.10000E+01 volume  0.40400E+00 ppm1      9.710 ppm2      1.271
 ASSI (
   (( segid "    " and resid 97   and name HN  ))
 )(
   (( segid "    " and resid 125  and name HN  ))
 )
      5.000     5.000     0.000 peak  7066 weight  0.10000E+01 volume  0.39800E+00 ppm1      9.711 ppm2      7.801
 ASSI (
   (( segid "    " and resid 97   and name HN  ))
 )(
   (( segid "    " and resid 123  and name HN  ))
 )
      5.000     5.000     0.000 peak  7068 weight  0.10000E+01 volume  0.12730E+01 ppm1      9.713 ppm2      9.073
 ASSI (
   (( segid "    " and resid 97   and name HN  ))
 )(
   (( segid "    " and resid 122  and name HA  ))
  OR 
   (( segid "    " and resid 92   and name HA  ))
 )
      5.000     5.000     0.000 peak  7063 weight  0.10000E+01 volume  0.54600E+00 ppm1      9.710 ppm2      5.266
 ASSI (
   (( segid "    " and resid 98   and name HN  ))
 )(
   (( segid "    " and resid 122  and name HB2 ))
  OR 
   (( segid "    " and resid 92   and name HB2 ))
 )
      6.000     6.000     0.000 peak  7080 weight  0.10000E+01 volume  0.20000E+00 ppm1      8.001 ppm2      2.429
 ASSI (
   (( segid "    " and resid 98   and name HN  ))
 )(
   (( segid "    " and resid 123  and name HN  ))
  OR 
   (( segid "    " and resid 99   and name HN  ))
 )
      6.000     6.000     0.000 peak  7091 weight  0.10000E+01 volume  0.19400E+00 ppm1      8.003 ppm2      9.113
 ASSI (
   (( segid "    " and resid 99   and name HN  ))
 )(
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 98   and name HG  ))
 )
      5.000     5.000     0.000 peak  7099 weight  0.10000E+01 volume  0.12340E+01 ppm1      9.122 ppm2      1.070
 ASSI (
   (( segid "    " and resid 99   and name HN  ))
 )(
   (( segid "    " and resid 123  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG1 ))
  OR 
   (( segid "    " and resid 120  and name HD1 ))
 )
      6.000     6.000     0.000 peak  7104 weight  0.10000E+01 volume  0.24500E+00 ppm1      9.124 ppm2      2.183
 ASSI (
   (( segid "    " and resid 99   and name HN  ))
 )(
   (( segid "    " and resid 122  and name HA  ))
  OR 
   (( segid "    " and resid 92   and name HA  ))
 )
      5.000     5.000     0.000 peak  7109 weight  0.10000E+01 volume  0.37300E+00 ppm1      9.124 ppm2      5.261
 ASSI (
   (( segid "    " and resid 100  and name HN  ))
 )(
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 98   and name HG  ))
 )
      5.000     5.000     0.000 peak  7118 weight  0.10000E+01 volume  0.95900E+00 ppm1      8.437 ppm2      1.061
 ASSI (
   (( segid "    " and resid 100  and name HN  ))
 )(
   (( segid "    " and resid 102  and name HG23))
  OR 
   (( segid "    " and resid 102  and name HG22))
  OR 
   (( segid "    " and resid 102  and name HG21))
  OR 
   (( segid "    " and resid 99   and name HG11))
 )
      5.000     5.000     0.000 peak  7119 weight  0.10000E+01 volume  0.55500E+00 ppm1      8.437 ppm2      1.329
 ASSI (
   (( segid "    " and resid 100  and name HN  ))
 )(
   (( segid "    " and resid 99   and name HB  ))
 )
      5.000     5.000     0.000 peak  7120 weight  0.10000E+01 volume  0.49400E+00 ppm1      8.437 ppm2      1.711
 ASSI (
   (( segid "    " and resid 100  and name HN  ))
 )(
   (( segid "    " and resid 101  and name HA  ))
  OR 
   (( segid "    " and resid 100  and name HA1 ))
 )
      5.000     5.000     0.000 peak  7125 weight  0.10000E+01 volume  0.13610E+01 ppm1      8.437 ppm2      4.467
 ASSI (
   (( segid "    " and resid 102  and name HN  ))
 )(
   (( segid "    " and resid 103  and name HG23))
  OR 
   (( segid "    " and resid 103  and name HG22))
  OR 
   (( segid "    " and resid 103  and name HG21))
  OR 
   (( segid "    " and resid 98   and name HG  ))
 )
      5.000     5.000     0.000 peak  7131 weight  0.10000E+01 volume  0.46500E+00 ppm1      8.208 ppm2      1.085
 ASSI (
   (( segid "    " and resid 102  and name HN  ))
 )(
   (( segid "    " and resid 102  and name HA  ))
 )
      3.300     3.300     0.000 peak  7138 weight  0.10000E+01 volume  0.20410E+01 ppm1      8.208 ppm2      4.286
 ASSI (
   (( segid "    " and resid 102  and name HN  ))
 )(
   (( segid "    " and resid 103  and name HA  ))
 )
      6.000     6.000     0.000 peak  7141 weight  0.10000E+01 volume  0.19800E+00 ppm1      8.206 ppm2      5.052
 ASSI (
   (( segid "    " and resid 103  and name HN  ))
 )(
   (( segid "    " and resid 105  and name HE  ))
  OR 
   (( segid "    " and resid 90   and name HD2 ))
  OR 
   (( segid "    " and resid 90   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7162 weight  0.10000E+01 volume  0.30700E+00 ppm1      7.558 ppm2      7.020
 ASSI (
   (( segid "    " and resid 103  and name HN  ))
 )(
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
  OR 
   (( segid "    " and resid 88   and name HG11))
 )
      6.000     6.000     0.000 peak  7144 weight  0.10000E+01 volume  0.18700E+00 ppm1      7.557 ppm2      0.418
 ASSI (
   (( segid "    " and resid 104  and name HN  ))
 )(
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
  OR 
   (( segid "    " and resid 88   and name HG11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
 )
      5.000     5.000     0.000 peak  7168 weight  0.10000E+01 volume  0.49500E+00 ppm1      8.040 ppm2      0.452
 ASSI (
   (( segid "    " and resid 104  and name HN  ))
 )(
   (( segid "    " and resid 104  and name HA  ))
 )
      5.000     5.000     0.000 peak  7178 weight  0.10000E+01 volume  0.68300E+00 ppm1      8.040 ppm2      4.536
 ASSI (
   (( segid "    " and resid 104  and name HN  ))
 )(
   (( segid "    " and resid 89   and name HA  ))
 )
      5.000     5.000     0.000 peak  7179 weight  0.10000E+01 volume  0.69200E+00 ppm1      8.039 ppm2      4.770
 ASSI (
   (( segid "    " and resid 104  and name HN  ))
 )(
   (( segid "    " and resid 90   and name HZ  ))
  OR 
   (( segid "    " and resid 90   and name HE2 ))
  OR 
   (( segid "    " and resid 90   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7183 weight  0.10000E+01 volume  0.36900E+00 ppm1      8.039 ppm2      6.691
 ASSI (
   (( segid "    " and resid 104  and name HN  ))
 )(
   (( segid "    " and resid 89   and name HB1 ))
  OR 
   (( segid "    " and resid 87   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7170 weight  0.10000E+01 volume  0.32100E+00 ppm1      8.039 ppm2      1.938
 ASSI (
   (( segid "    " and resid 105  and name HN  ))
 )(
   (( segid "    " and resid 105  and name HG2 ))
  OR 
   (( segid "    " and resid 105  and name HG1 ))
 )
      6.000     6.000     0.000 peak  7185 weight  0.10000E+01 volume  0.27600E+00 ppm1      9.006 ppm2      1.374
 ASSI (
   (( segid "    " and resid 105  and name HN  ))
 )(
   (( segid "    " and resid 117  and name HB2 ))
  OR 
   (( segid "    " and resid 105  and name HD2 ))
  OR 
   (( segid "    " and resid 105  and name HD1 ))
 )
      5.000     5.000     0.000 peak  7190 weight  0.10000E+01 volume  0.31800E+00 ppm1      9.007 ppm2      3.106
 ASSI (
   (( segid "    " and resid 105  and name HN  ))
 )(
   (( segid "    " and resid 115  and name HE3 ))
 )
      6.000     6.000     0.000 peak  7198 weight  0.10000E+01 volume  0.26300E+00 ppm1      9.006 ppm2      7.324
 ASSI (
   (( segid "    " and resid 105  and name HN  ))
 )(
   (( segid "    " and resid 103  and name HN  ))
  OR 
   (( segid "    " and resid 87   and name HE21))
 )
      6.000     6.000     0.000 peak  7199 weight  0.10000E+01 volume  0.15900E+00 ppm1      9.006 ppm2      7.533
 ASSI (
   (( segid "    " and resid 107  and name HN  ))
 )(
   (( segid "    " and resid 113  and name HB  ))
  OR 
   (( segid "    " and resid 109  and name HB1 ))
  OR 
   (( segid "    " and resid 108  and name HB  ))
  OR 
   (( segid "    " and resid 87   and name HB2 ))
 )
      5.000     5.000     0.000 peak  7205 weight  0.10000E+01 volume  0.85900E+00 ppm1      9.101 ppm2      1.862
 ASSI (
   (( segid "    " and resid 107  and name HN  ))
 )(
   (( segid "    " and resid 107  and name HB1 ))
 )
      5.000     5.000     0.000 peak  7206 weight  0.10000E+01 volume  0.72600E+00 ppm1      9.101 ppm2      2.020
 ASSI (
   (( segid "    " and resid 107  and name HN  ))
 )(
   (( segid "    " and resid 106  and name HB1 ))
 )
      6.000     6.000     0.000 peak  7209 weight  0.10000E+01 volume  0.24100E+00 ppm1      9.100 ppm2      2.625
 ASSI (
   (( segid "    " and resid 107  and name HN  ))
 )(
   (( segid "    " and resid 115  and name HE3 ))
  OR 
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )
      6.000     6.000     0.000 peak  7217 weight  0.10000E+01 volume  0.26200E+00 ppm1      9.100 ppm2      7.329
 ASSI (
   (( segid "    " and resid 108  and name HN  ))
 )(
   (( segid "    " and resid 108  and name HG13))
  OR 
   (( segid "    " and resid 108  and name HG12))
  OR 
   (( segid "    " and resid 108  and name HG11))
 )
      3.300     3.300     0.000 peak  7225 weight  0.10000E+01 volume  0.19540E+01 ppm1      8.357 ppm2      0.714
 ASSI (
   (( segid "    " and resid 108  and name HN  ))
 )(
   (( segid "    " and resid 108  and name HB  ))
 )
      2.700     2.700     0.000 peak  7226 weight  0.10000E+01 volume  0.40250E+01 ppm1      8.356 ppm2      1.859
 ASSI (
   (( segid "    " and resid 108  and name HN  ))
 )(
   (( segid "    " and resid 108  and name HA  ))
  OR 
   (( segid "    " and resid 106  and name HA  ))
 )
      5.000     5.000     0.000 peak  7229 weight  0.10000E+01 volume  0.77100E+00 ppm1      8.357 ppm2      3.879
 ASSI (
   (( segid "    " and resid 108  and name HN  ))
 )(
   (( segid "    " and resid 115  and name HN  ))
  OR 
   (( segid "    " and resid 111  and name HN  ))
  OR 
   (( segid "    " and resid 109  and name HN  ))
 )
      6.000     6.000     0.000 peak  7236 weight  0.10000E+01 volume  0.28600E+00 ppm1      8.356 ppm2      8.054
 ASSI (
   (( segid "    " and resid 109  and name HN  ))
 )(
   (( segid "    " and resid 111  and name HG2 ))
  OR 
   (( segid "    " and resid 111  and name HG1 ))
  OR 
   (( segid "    " and resid 109  and name HB2 ))
 )
      5.000     5.000     0.000 peak  7241 weight  0.10000E+01 volume  0.10060E+01 ppm1      8.045 ppm2      1.551
 ASSI (
   (( segid "    " and resid 109  and name HN  ))
 )(
   (( segid "    " and resid 113  and name HB  ))
  OR 
   (( segid "    " and resid 109  and name HB1 ))
  OR 
   (( segid "    " and resid 108  and name HB  ))
 )
      5.000     5.000     0.000 peak  7243 weight  0.10000E+01 volume  0.97300E+00 ppm1      8.046 ppm2      1.855
 ASSI (
   (( segid "    " and resid 109  and name HN  ))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      5.000     5.000     0.000 peak  7252 weight  0.10000E+01 volume  0.40700E+00 ppm1      8.046 ppm2      8.845
 ASSI (
   (( segid "    " and resid 110  and name HN  ))
 )(
   (( segid "    " and resid 110  and name HA  ))
 )
      2.700     2.700     0.000 peak  7264 weight  0.10000E+01 volume  0.32710E+01 ppm1      8.780 ppm2      4.111
 ASSI (
   (( segid "    " and resid 111  and name HN  ))
 )(
   (( segid "    " and resid 111  and name HG2 ))
  OR 
   (( segid "    " and resid 111  and name HG1 ))
  OR 
   (( segid "    " and resid 109  and name HB2 ))
 )
      3.300     3.300     0.000 peak  7270 weight  0.10000E+01 volume  0.19960E+01 ppm1      8.102 ppm2      1.534
 ASSI (
   (( segid "    " and resid 112  and name HN  ))
 )(
   (( segid "    " and resid 111  and name HG2 ))
  OR 
   (( segid "    " and resid 111  and name HG1 ))
  OR 
   (( segid "    " and resid 109  and name HB2 ))
 )
      5.000     5.000     0.000 peak  7284 weight  0.10000E+01 volume  0.50900E+00 ppm1      7.734 ppm2      1.532
 ASSI (
   (( segid "    " and resid 112  and name HN  ))
 )(
   (( segid "    " and resid 111  and name HB2 ))
 )
      5.000     5.000     0.000 peak  7285 weight  0.10000E+01 volume  0.44800E+00 ppm1      7.734 ppm2      1.670
 ASSI (
   (( segid "    " and resid 112  and name HN  ))
 )(
   (( segid "    " and resid 111  and name HB1 ))
 )
      5.000     5.000     0.000 peak  7286 weight  0.10000E+01 volume  0.30100E+00 ppm1      7.735 ppm2      1.953
 ASSI (
   (( segid "    " and resid 114  and name HN  ))
 )(
   (( segid "    " and resid 115  and name HN  ))
  OR 
   (( segid "    " and resid 109  and name HN  ))
 )
      5.000     5.000     0.000 peak  7301 weight  0.10000E+01 volume  0.63300E+00 ppm1      8.868 ppm2      8.032
 ASSI (
   (( segid "    " and resid 114  and name HN  ))
 )(
   (( segid "    " and resid 108  and name HN  ))
  OR 
   (( segid "    " and resid 106  and name HN  ))
  OR 
   (( segid "    " and resid 66   and name HN  ))
 )
      6.000     6.000     0.000 peak  7302 weight  0.10000E+01 volume  0.25900E+00 ppm1      8.867 ppm2      8.337
 ASSI (
   (( segid "    " and resid 114  and name HN  ))
 )(
   (( segid "    " and resid 113  and name HB  ))
  OR 
   (( segid "    " and resid 108  and name HB  ))
  OR 
   (( segid "    " and resid 66   and name HB1 ))
 )
      3.300     3.300     0.000 peak  7295 weight  0.10000E+01 volume  0.15690E+01 ppm1      8.869 ppm2      1.885
 ASSI (
   (( segid "    " and resid 114  and name HN  ))
 )(
   (( segid "    " and resid 114  and name HA1 ))
  OR 
   (( segid "    " and resid 108  and name HA  ))
 )
      3.300     3.300     0.000 peak  7298 weight  0.10000E+01 volume  0.15250E+01 ppm1      8.868 ppm2      3.873
 ASSI (
   (( segid "    " and resid 115  and name HE1 ))
 )(
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
  OR 
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
  OR 
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
  OR 
   (( segid "    " and resid 88   and name HG23))
  OR 
   (( segid "    " and resid 88   and name HG22))
  OR 
   (( segid "    " and resid 88   and name HG21))
  OR 
   (( segid "    " and resid 88   and name HG11))
  OR 
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      6.000     6.000     0.000 peak  9499 weight  0.10000E+01 volume  0.17400E+00 ppm1     10.496 ppm2      0.468
 ASSI (
   (( segid "    " and resid 115  and name HE1 ))
 )(
   (( segid "    " and resid 68   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6718 weight  0.10000E+01 volume  0.52600E+00 ppm1     10.497 ppm2      1.711
 ASSI (
   (( segid "    " and resid 115  and name HE1 ))
 )(
   (( segid "    " and resid 68   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6685 weight  0.10000E+01 volume  0.43300E+00 ppm1     10.495 ppm2      3.200
 ASSI (
   (( segid "    " and resid 115  and name HE1 ))
 )(
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
  OR 
   (( segid "    " and resid 68   and name HG2 ))
 )
      6.000     6.000     0.000 peak  6686 weight  0.10000E+01 volume  0.29800E+00 ppm1     10.496 ppm2      1.010
 ASSI (
   (( segid "    " and resid 116  and name HN  ))
 )(
   (( segid "    " and resid 116  and name HB1 ))
  OR 
   (( segid "    " and resid 106  and name HA  ))
  OR 
   (( segid "    " and resid 104  and name HB1 ))
 )
      3.300     3.300     0.000 peak  9351 weight  0.10000E+01 volume  0.16930E+01 ppm1      9.720 ppm2      3.893
 ASSI (
   (( segid "    " and resid 117  and name HN  ))
 )(
   (( segid "    " and resid 115  and name HB2 ))
 )
      5.000     5.000     0.000 peak  7310 weight  0.10000E+01 volume  0.48900E+00 ppm1      7.968 ppm2      2.784
 ASSI (
   (( segid "    " and resid 117  and name HN  ))
 )(
   (( segid "    " and resid 117  and name HB1 ))
 )
      5.000     5.000     0.000 peak  7312 weight  0.10000E+01 volume  0.12110E+01 ppm1      7.968 ppm2      3.363
 ASSI (
   (( segid "    " and resid 117  and name HN  ))
 )(
   (( segid "    " and resid 115  and name HB1 ))
  OR 
   (( segid "    " and resid 104  and name HB2 ))
 )
      5.000     5.000     0.000 peak  7313 weight  0.10000E+01 volume  0.12110E+01 ppm1      7.968 ppm2      3.501
 ASSI (
   (( segid "    " and resid 117  and name HN  ))
 )(
   (( segid "    " and resid 118  and name HD1 ))
  OR 
   (( segid "    " and resid 116  and name HB1 ))
  OR 
   (( segid "    " and resid 106  and name HA  ))
  OR 
   (( segid "    " and resid 104  and name HB1 ))
 )
      5.000     5.000     0.000 peak  7314 weight  0.10000E+01 volume  0.14660E+01 ppm1      7.968 ppm2      3.878
 ASSI (
   (( segid "    " and resid 117  and name HN  ))
 )(
   (( segid "    " and resid 118  and name HA  ))
  OR 
   (( segid "    " and resid 104  and name HA  ))
 )
      5.000     5.000     0.000 peak  7315 weight  0.10000E+01 volume  0.74800E+00 ppm1      7.968 ppm2      4.564
 ASSI (
   (( segid "    " and resid 117  and name HN  ))
 )(
   (( segid "    " and resid 115  and name HA  ))
 )
      5.000     5.000     0.000 peak  7316 weight  0.10000E+01 volume  0.49600E+00 ppm1      7.967 ppm2      4.838
 ASSI (
   (( segid "    " and resid 117  and name HN  ))
 )(
   (( segid "    " and resid 116  and name HN  ))
 )
      5.000     5.000     0.000 peak  7323 weight  0.10000E+01 volume  0.86600E+00 ppm1      7.967 ppm2      9.718
 ASSI (
   (( segid "    " and resid 119  and name HN  ))
 )(
   (( segid "    " and resid 119  and name HB2 ))
 )
      3.300     3.300     0.000 peak  7327 weight  0.10000E+01 volume  0.22940E+01 ppm1      7.863 ppm2      1.199
 ASSI (
   (( segid "    " and resid 119  and name HN  ))
 )(
   (( segid "    " and resid 119  and name HB1 ))
  OR 
   (( segid "    " and resid 68   and name HB2 ))
 )
      2.700     2.700     0.000 peak  7326 weight  0.10000E+01 volume  0.36770E+01 ppm1      7.863 ppm2      1.342
 ASSI (
   (( segid "    " and resid 119  and name HN  ))
 )(
   (( segid "    " and resid 120  and name HD2 ))
  OR 
   (( segid "    " and resid 118  and name HG1 ))
  OR 
   (( segid "    " and resid 118  and name HB2 ))
 )
      3.300     3.300     0.000 peak  7329 weight  0.10000E+01 volume  0.15310E+01 ppm1      7.862 ppm2      2.010
 ASSI (
   (( segid "    " and resid 119  and name HN  ))
 )(
   (( segid "    " and resid 118  and name HD1 ))
  OR 
   (( segid "    " and resid 104  and name HB1 ))
  OR 
   (( segid "    " and resid 72   and name HA  ))
 )
      5.000     5.000     0.000 peak  7334 weight  0.10000E+01 volume  0.34900E+00 ppm1      7.864 ppm2      3.834
 ASSI (
   (( segid "    " and resid 121  and name HN  ))
 )(
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD23))
  OR 
   (( segid "    " and resid 98   and name HD22))
  OR 
   (( segid "    " and resid 98   and name HD21))
  OR 
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )
      5.000     5.000     0.000 peak  7337 weight  0.10000E+01 volume  0.63500E+00 ppm1      7.954 ppm2      0.430
 ASSI (
   (( segid "    " and resid 121  and name HN  ))
 )(
   (( segid "    " and resid 99   and name HG12))
  OR 
   (( segid "    " and resid 98   and name HG  ))
 )
      5.000     5.000     0.000 peak  7339 weight  0.10000E+01 volume  0.81700E+00 ppm1      7.954 ppm2      1.065
 ASSI (
   (( segid "    " and resid 121  and name HN  ))
 )(
   (( segid "    " and resid 121  and name HA  ))
 )
      3.300     3.300     0.000 peak  7344 weight  0.10000E+01 volume  0.17900E+01 ppm1      7.954 ppm2      4.394
 ASSI (
   (( segid "    " and resid 121  and name HN  ))
 )(
   (( segid "    " and resid 100  and name HN  ))
 )
      5.000     5.000     0.000 peak  7346 weight  0.10000E+01 volume  0.31000E+00 ppm1      7.953 ppm2      8.438
 ASSI (
   (( segid "    " and resid 122  and name HN  ))
 )(
   (( segid "    " and resid 73   and name HB2 ))
  OR 
   (( segid "    " and resid 71   and name HG  ))
 )
      5.000     5.000     0.000 peak  7350 weight  0.10000E+01 volume  0.31800E+00 ppm1      8.771 ppm2      0.972
 ASSI (
   (( segid "    " and resid 122  and name HN  ))
 )(
   (( segid "    " and resid 121  and name HB2 ))
 )
      5.000     5.000     0.000 peak  7353 weight  0.10000E+01 volume  0.97700E+00 ppm1      8.770 ppm2      1.768
 ASSI (
   (( segid "    " and resid 122  and name HN  ))
 )(
   (( segid "    " and resid 123  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG1 ))
  OR 
   (( segid "    " and resid 73   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7355 weight  0.10000E+01 volume  0.67200E+00 ppm1      8.770 ppm2      2.167
 ASSI (
   (( segid "    " and resid 1    and name HN  ))
 )(
   (( segid "    " and resid 1    and name HB1 ))
 )
      5.000     5.000     0.000 peak  6150 weight  0.10000E+01 volume  0.69000E+00 ppm1      8.260 ppm2      2.752
 ASSI (
   (( segid "    " and resid 1    and name HN  ))
 )(
   (( segid "    " and resid 1    and name HD21))
 )
      5.000     5.000     0.000 peak  6153 weight  0.10000E+01 volume  0.32900E+00 ppm1      8.259 ppm2      7.255
 ASSI (
   (( segid "    " and resid 1    and name HN  ))
 )(
   (( segid "    " and resid 2    and name HN  ))
 )
      5.000     5.000     0.000 peak  6154 weight  0.10000E+01 volume  0.38300E+00 ppm1      8.259 ppm2      8.831
 ASSI (
   (( segid "    " and resid 1    and name HD22))
 )(
   (( segid "    " and resid 1    and name HA  ))
 )
      6.000     6.000     0.000 peak  7527 weight  0.10000E+01 volume  0.16000E+00 ppm1      6.922 ppm2      4.907
 ASSI (
   (( segid "    " and resid 1    and name HD22))
 )(
   (( segid "    " and resid 1    and name HD21))
 )
      2.700     2.700     0.000 peak  7361 weight  0.10000E+01 volume  0.85070E+01 ppm1      6.924 ppm2      7.258
 ASSI (
   (( segid "    " and resid 1    and name HD21))
 )(
   (( segid "    " and resid 2    and name HN  ))
 )
      6.000     6.000     0.000 peak  7530 weight  0.10000E+01 volume  0.16300E+00 ppm1      7.256 ppm2      8.832
 ASSI (
   (( segid "    " and resid 1    and name HD22))
 )(
   (( segid "    " and resid 2    and name HN  ))
 )
      6.000     6.000     0.000 peak  7531 weight  0.10000E+01 volume  0.82000E-01 ppm1      6.924 ppm2      8.831
 ASSI (
   (( segid "    " and resid 1    and name HD21))
 )(
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )
      5.000     5.000     0.000 peak  7519 weight  0.10000E+01 volume  0.43100E+00 ppm1      7.258 ppm2      1.509
 ASSI (
   (( segid "    " and resid 1    and name HD22))
 )(
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )
      5.000     5.000     0.000 peak  7520 weight  0.10000E+01 volume  0.35900E+00 ppm1      6.926 ppm2      1.507
 ASSI (
   (( segid "    " and resid 2    and name HN  ))
 )(
   (( segid "    " and resid 2    and name HA  ))
 )
      5.000     5.000     0.000 peak  6158 weight  0.10000E+01 volume  0.43300E+00 ppm1      8.836 ppm2      4.545
 ASSI (
   (( segid "    " and resid 2    and name HN  ))
 )(
   (( segid "    " and resid 3    and name HN  ))
 )
      5.000     5.000     0.000 peak  6155 weight  0.10000E+01 volume  0.36400E+00 ppm1      8.837 ppm2      8.549
 ASSI (
   (( segid "    " and resid 2    and name HN  ))
 )(
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )
      5.000     5.000     0.000 peak  6163 weight  0.10000E+01 volume  0.30500E+00 ppm1      8.837 ppm2      1.510
 ASSI (
   (( segid "    " and resid 2    and name HN  ))
 )(
   (( segid "    " and resid 54   and name HE1 ))
 )
      6.000     6.000     0.000 peak  6270 weight  0.10000E+01 volume  0.14900E+00 ppm1      8.838 ppm2     10.002
 ASSI (
   (( segid "    " and resid 3    and name HN  ))
 )(
   (( segid "    " and resid 54   and name HE1 ))
 )
      5.000     5.000     0.000 peak  6167 weight  0.10000E+01 volume  0.38400E+00 ppm1      8.529 ppm2     10.004
 ASSI (
   (( segid "    " and resid 7    and name HN  ))
 )(
   (( segid "    " and resid 6    and name HG1 ))
 )
      5.000     5.000     0.000 peak  6277 weight  0.10000E+01 volume  0.39400E+00 ppm1      8.292 ppm2      1.998
 ASSI (
   (( segid "    " and resid 7    and name HN  ))
 )(
   (( segid "    " and resid 6    and name HG2 ))
 )
      5.000     5.000     0.000 peak  6276 weight  0.10000E+01 volume  0.37500E+00 ppm1      8.291 ppm2      1.489
 ASSI (
   (( segid "    " and resid 7    and name HN  ))
 )(
   (( segid "    " and resid 7    and name HB  ))
 )
      2.700     2.700     0.000 peak  6169 weight  0.10000E+01 volume  0.34180E+01 ppm1      8.290 ppm2      3.857
 ASSI (
   (( segid "    " and resid 7    and name HN  ))
 )(
   (( segid "    " and resid 7    and name HG23))
  OR 
   (( segid "    " and resid 7    and name HG22))
  OR 
   (( segid "    " and resid 7    and name HG21))
 )
      5.000     5.000     0.000 peak  6168 weight  0.10000E+01 volume  0.72700E+00 ppm1      8.291 ppm2      1.052
 ASSI (
   (( segid "    " and resid 8    and name HN  ))
 )(
   (( segid "    " and resid 8    and name HB2 ))
 )
      5.000     5.000     0.000 peak  6170 weight  0.10000E+01 volume  0.57700E+00 ppm1      8.424 ppm2     -0.094
 ASSI (
   (( segid "    " and resid 8    and name HN  ))
 )(
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )
      5.000     5.000     0.000 peak  5798 weight  0.10000E+01 volume  0.40600E+00 ppm1      8.425 ppm2     -0.294
 ASSI (
   (( segid "    " and resid 8    and name HN  ))
 )(
   (( segid "    " and resid 8    and name HG  ))
 )
      3.300     3.300     0.000 peak  6171 weight  0.10000E+01 volume  0.22230E+01 ppm1      8.424 ppm2      1.042
 ASSI (
   (( segid "    " and resid 3    and name HN  ))
 )(
   (( segid "    " and resid 2    and name HA  ))
 )
      3.300     3.300     0.000 peak  5783 weight  0.10000E+01 volume  0.15590E+01 ppm1      8.528 ppm2      4.551
 ASSI (
   (( segid "    " and resid 8    and name HN  ))
 )(
   (( segid "    " and resid 7    and name HA  ))
 )
      2.700     2.700     0.000 peak  5795 weight  0.10000E+01 volume  0.41230E+01 ppm1      8.426 ppm2      3.825
 ASSI (
   (( segid "    " and resid 8    and name HN  ))
 )(
   (( segid "    " and resid 11   and name HN  ))
 )
      6.000     6.000     0.000 peak  6279 weight  0.10000E+01 volume  0.19700E+00 ppm1      8.425 ppm2      6.448
 ASSI (
   (( segid "    " and resid 9    and name HN  ))
 )(
   (( segid "    " and resid 8    and name HB1 ))
 )
      5.000     5.000     0.000 peak  5802 weight  0.10000E+01 volume  0.43900E+00 ppm1      8.569 ppm2      1.233
 ASSI (
   (( segid "    " and resid 9    and name HN  ))
 )(
   (( segid "    " and resid 8    and name HB2 ))
 )
      5.000     5.000     0.000 peak  5805 weight  0.10000E+01 volume  0.67000E+00 ppm1      8.569 ppm2     -0.089
 ASSI (
   (( segid "    " and resid 9    and name HN  ))
 )(
   (( segid "    " and resid 8    and name HG  ))
 )
      6.000     6.000     0.000 peak  6174 weight  0.10000E+01 volume  0.29200E+00 ppm1      8.569 ppm2      1.034
 ASSI (
   (( segid "    " and resid 9    and name HN  ))
 )(
   (( segid "    " and resid 10   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HD1 ))
 )
      6.000     6.000     0.000 peak  6177 weight  0.10000E+01 volume  0.28900E+00 ppm1      8.569 ppm2      6.660
 ASSI (
   (( segid "    " and resid 9    and name HN  ))
 )(
   (( segid "    " and resid 10   and name HN  ))
 )
      5.000     5.000     0.000 peak  5799 weight  0.10000E+01 volume  0.73100E+00 ppm1      8.572 ppm2      5.791
 ASSI (
   (( segid "    " and resid 9    and name HN  ))
 )(
   (( segid "    " and resid 11   and name HN  ))
 )
      6.000     6.000     0.000 peak  6286 weight  0.10000E+01 volume  0.22600E+00 ppm1      8.569 ppm2      6.441
 ASSI (
   (( segid "    " and resid 10   and name HN  ))
 )(
   (( segid "    " and resid 8    and name HB1 ))
 )
      5.000     5.000     0.000 peak  5806 weight  0.10000E+01 volume  0.56100E+00 ppm1      5.801 ppm2      1.232
 ASSI (
   (( segid "    " and resid 10   and name HN  ))
 )(
   (( segid "    " and resid 8    and name HB2 ))
 )
      5.000     5.000     0.000 peak  5807 weight  0.10000E+01 volume  0.51800E+00 ppm1      5.801 ppm2     -0.095
 ASSI (
   (( segid "    " and resid 10   and name HN  ))
 )(
   (( segid "    " and resid 9    and name HA  ))
 )
      5.000     5.000     0.000 peak  6290 weight  0.10000E+01 volume  0.30400E+00 ppm1      5.799 ppm2      4.011
 ASSI (
   (( segid "    " and resid 10   and name HN  ))
 )(
   (( segid "    " and resid 10   and name HA  ))
 )
      5.000     5.000     0.000 peak  6178 weight  0.10000E+01 volume  0.39000E+00 ppm1      5.801 ppm2      3.513
 ASSI (
   (( segid "    " and resid 10   and name HN  ))
 )(
   (( segid "    " and resid 10   and name HB1 ))
 )
      6.000     6.000     0.000 peak  6288 weight  0.10000E+01 volume  0.21500E+00 ppm1      5.803 ppm2      2.499
 ASSI (
   (( segid "    " and resid 10   and name HN  ))
 )(
   (( segid "    " and resid 10   and name HB2 ))
 )
      6.000     6.000     0.000 peak  6287 weight  0.10000E+01 volume  0.26800E+00 ppm1      5.802 ppm2      2.143
 ASSI (
   (( segid "    " and resid 10   and name HN  ))
 )(
   (( segid "    " and resid 10   and name HD2 ))
  OR 
   (( segid "    " and resid 10   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6180 weight  0.10000E+01 volume  0.71500E+00 ppm1      5.799 ppm2      6.651
 ASSI (
   (( segid "    " and resid 10   and name HN  ))
 )(
   (( segid "    " and resid 11   and name HN  ))
 )
      5.000     5.000     0.000 peak  6179 weight  0.10000E+01 volume  0.80800E+00 ppm1      5.802 ppm2      6.444
 ASSI (
   (( segid "    " and resid 11   and name HN  ))
 )(
   (( segid "    " and resid 8    and name HB2 ))
 )
      5.000     5.000     0.000 peak  5812 weight  0.10000E+01 volume  0.56200E+00 ppm1      6.451 ppm2     -0.092
 ASSI (
   (( segid "    " and resid 11   and name HN  ))
 )(
   (( segid "    " and resid 8    and name HD13))
  OR 
   (( segid "    " and resid 8    and name HD12))
  OR 
   (( segid "    " and resid 8    and name HD11))
 )
      5.000     5.000     0.000 peak  6182 weight  0.10000E+01 volume  0.36900E+00 ppm1      6.450 ppm2     -0.296
 ASSI (
   (( segid "    " and resid 11   and name HN  ))
 )(
   (( segid "    " and resid 10   and name HA  ))
 )
      5.000     5.000     0.000 peak  5809 weight  0.10000E+01 volume  0.61200E+00 ppm1      6.451 ppm2      3.521
 ASSI (
   (( segid "    " and resid 11   and name HN  ))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6185 weight  0.10000E+01 volume  0.16280E+01 ppm1      6.450 ppm2      1.224
 ASSI (
   (( segid "    " and resid 11   and name HN  ))
 )(
   (( segid "    " and resid 34   and name HG  ))
 )
      5.000     5.000     0.000 peak  5810 weight  0.10000E+01 volume  0.64000E+00 ppm1      6.451 ppm2      1.018
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 11   and name HA  ))
 )
      3.300     3.300     0.000 peak  5816 weight  0.10000E+01 volume  0.17770E+01 ppm1      8.625 ppm2      4.890
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 11   and name HB3 ))
  OR 
   (( segid "    " and resid 11   and name HB2 ))
  OR 
   (( segid "    " and resid 11   and name HB1 ))
 )
      3.300     3.300     0.000 peak  7757 weight  0.10000E+01 volume  0.23610E+01 ppm1      8.625 ppm2      1.223
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 12   and name HB3 ))
  OR 
   (( segid "    " and resid 12   and name HB2 ))
  OR 
   (( segid "    " and resid 12   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6190 weight  0.10000E+01 volume  0.25960E+01 ppm1      8.627 ppm2      1.185
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 13   and name HD1 ))
 )
      6.000     6.000     0.000 peak  6300 weight  0.10000E+01 volume  0.20100E+00 ppm1      8.628 ppm2      3.411
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 13   and name HD2 ))
 )
      6.000     6.000     0.000 peak  6299 weight  0.10000E+01 volume  0.24000E+00 ppm1      8.627 ppm2      3.246
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )
      3.300     3.300     0.000 peak  8063 weight  0.10000E+01 volume  0.16880E+01 ppm1      8.627 ppm2      1.071
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 32   and name HN  ))
 )
      5.000     5.000     0.000 peak  5813 weight  0.10000E+01 volume  0.90600E+00 ppm1      8.626 ppm2      8.927
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 33   and name HA  ))
 )
      5.000     5.000     0.000 peak  5815 weight  0.10000E+01 volume  0.45600E+00 ppm1      8.625 ppm2      5.082
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 34   and name HG  ))
 )
      5.000     5.000     0.000 peak  6296 weight  0.10000E+01 volume  0.11720E+01 ppm1      8.626 ppm2      1.015
 ASSI (
   (( segid "    " and resid 12   and name HN  ))
 )(
   (( segid "    " and resid 34   and name HN  ))
 )
      5.000     5.000     0.000 peak  6194 weight  0.10000E+01 volume  0.40200E+00 ppm1      8.626 ppm2      7.391
 ASSI (
   (( segid "    " and resid 14   and name HN  ))
 )(
   (( segid "    " and resid 14   and name HA  ))
 )
      5.000     5.000     0.000 peak  6202 weight  0.10000E+01 volume  0.11580E+01 ppm1      8.217 ppm2      4.080
 ASSI (
   (( segid "    " and resid 14   and name HN  ))
 )(
   (( segid "    " and resid 14   and name HB2 ))
 )
      3.300     3.300     0.000 peak  6196 weight  0.10000E+01 volume  0.19980E+01 ppm1      8.217 ppm2      1.569
 ASSI (
   (( segid "    " and resid 14   and name HN  ))
 )(
   (( segid "    " and resid 15   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6305 weight  0.10000E+01 volume  0.76200E+00 ppm1      8.218 ppm2      2.708
 ASSI (
   (( segid "    " and resid 14   and name HN  ))
 )(
   (( segid "    " and resid 15   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6304 weight  0.10000E+01 volume  0.54800E+00 ppm1      8.218 ppm2      2.488
 ASSI (
   (( segid "    " and resid 14   and name HN  ))
 )(
   (( segid "    " and resid 32   and name HG23))
  OR 
   (( segid "    " and resid 32   and name HG22))
  OR 
   (( segid "    " and resid 32   and name HG21))
 )
      5.000     5.000     0.000 peak  6195 weight  0.10000E+01 volume  0.39700E+00 ppm1      8.217 ppm2      1.104
 ASSI (
   (( segid "    " and resid 14   and name HN  ))
 )(
   (( segid "    " and resid 32   and name HN  ))
 )
      5.000     5.000     0.000 peak  6203 weight  0.10000E+01 volume  0.49700E+00 ppm1      8.218 ppm2      8.927
 ASSI (
   (( segid "    " and resid 15   and name HN  ))
 )(
   (( segid "    " and resid 14   and name HA  ))
 )
      3.300     3.300     0.000 peak  5821 weight  0.10000E+01 volume  0.18970E+01 ppm1      8.128 ppm2      4.084
 ASSI (
   (( segid "    " and resid 15   and name HN  ))
 )(
   (( segid "    " and resid 14   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5822 weight  0.10000E+01 volume  0.11130E+01 ppm1      8.128 ppm2      1.854
 ASSI (
   (( segid "    " and resid 15   and name HN  ))
 )(
   (( segid "    " and resid 14   and name HB2 ))
 )
      3.300     3.300     0.000 peak  5823 weight  0.10000E+01 volume  0.18460E+01 ppm1      8.128 ppm2      1.565
 ASSI (
   (( segid "    " and resid 15   and name HN  ))
 )(
   (( segid "    " and resid 14   and name HG2 ))
  OR 
   (( segid "    " and resid 14   and name HG1 ))
 )
      5.000     5.000     0.000 peak  6206 weight  0.10000E+01 volume  0.42700E+00 ppm1      8.128 ppm2      2.240
 ASSI (
   (( segid "    " and resid 15   and name HN  ))
 )(
   (( segid "    " and resid 15   and name HA  ))
 )
      5.000     5.000     0.000 peak  6210 weight  0.10000E+01 volume  0.11970E+01 ppm1      8.128 ppm2      4.550
 ASSI (
   (( segid "    " and resid 15   and name HN  ))
 )(
   (( segid "    " and resid 15   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6208 weight  0.10000E+01 volume  0.21020E+01 ppm1      8.128 ppm2      2.699
 ASSI (
   (( segid "    " and resid 15   and name HN  ))
 )(
   (( segid "    " and resid 15   and name HB2 ))
 )
      3.300     3.300     0.000 peak  6207 weight  0.10000E+01 volume  0.16260E+01 ppm1      8.128 ppm2      2.470
 ASSI (
   (( segid "    " and resid 15   and name HN  ))
 )(
   (( segid "    " and resid 16   and name HG12))
 )
      6.000     6.000     0.000 peak  6205 weight  0.10000E+01 volume  0.24800E+00 ppm1      8.128 ppm2      1.106
 ASSI (
   (( segid "    " and resid 15   and name HN  ))
 )(
   (( segid "    " and resid 16   and name HG23))
  OR 
   (( segid "    " and resid 16   and name HG22))
  OR 
   (( segid "    " and resid 16   and name HG21))
 )
      5.000     5.000     0.000 peak  6204 weight  0.10000E+01 volume  0.39600E+00 ppm1      8.127 ppm2      0.824
 ASSI (
   (( segid "    " and resid 15   and name HN  ))
 )(
   (( segid "    " and resid 16   and name HN  ))
 )
      5.000     5.000     0.000 peak  5820 weight  0.10000E+01 volume  0.13970E+01 ppm1      8.129 ppm2      7.813
 ASSI (
   (( segid "    " and resid 16   and name HN  ))
 )(
   (( segid "    " and resid 16   and name HA  ))
 )
      3.300     3.300     0.000 peak  7810 weight  0.10000E+01 volume  0.25510E+01 ppm1      7.810 ppm2      4.113
 ASSI (
   (( segid "    " and resid 16   and name HN  ))
 )(
   (( segid "    " and resid 16   and name HB  ))
 )
      3.300     3.300     0.000 peak  7817 weight  0.10000E+01 volume  0.20310E+01 ppm1      7.807 ppm2      1.897
 ASSI (
   (( segid "    " and resid 16   and name HN  ))
 )(
   (( segid "    " and resid 17   and name HN  ))
 )
      3.300     3.300     0.000 peak  5824 weight  0.10000E+01 volume  0.26340E+01 ppm1      7.807 ppm2      8.198
 ASSI (
   (( segid "    " and resid 17   and name HN  ))
 )(
   (( segid "    " and resid 17   and name HA  ))
 )
      3.300     3.300     0.000 peak  5830 weight  0.10000E+01 volume  0.15100E+01 ppm1      8.202 ppm2      4.345
 ASSI (
   (( segid "    " and resid 18   and name HN  ))
 )(
   (( segid "    " and resid 18   and name HD23))
  OR 
   (( segid "    " and resid 18   and name HD22))
  OR 
   (( segid "    " and resid 18   and name HD21))
 )
      5.000     5.000     0.000 peak  6216 weight  0.10000E+01 volume  0.70000E+00 ppm1      8.053 ppm2      0.858
 ASSI (
   (( segid "    " and resid 18   and name HN  ))
 )(
   (( segid "    " and resid 20   and name HN  ))
 )
      6.000     6.000     0.000 peak  6312 weight  0.10000E+01 volume  0.13400E+00 ppm1      8.053 ppm2      7.661
 ASSI (
   (( segid "    " and resid 19   and name HN  ))
 )(
   (( segid "    " and resid 18   and name HA  ))
 )
      2.700     2.700     0.000 peak  6225 weight  0.10000E+01 volume  0.32100E+01 ppm1      8.087 ppm2      4.413
 ASSI (
   (( segid "    " and resid 19   and name HN  ))
 )(
   (( segid "    " and resid 18   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5840 weight  0.10000E+01 volume  0.10070E+01 ppm1      8.088 ppm2      1.692
 ASSI (
   (( segid "    " and resid 19   and name HN  ))
 )(
   (( segid "    " and resid 18   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6314 weight  0.10000E+01 volume  0.10560E+01 ppm1      8.088 ppm2      1.634
 ASSI (
   (( segid "    " and resid 19   and name HN  ))
 )(
   (( segid "    " and resid 18   and name HD23))
  OR 
   (( segid "    " and resid 18   and name HD22))
  OR 
   (( segid "    " and resid 18   and name HD21))
 )
      5.000     5.000     0.000 peak  5841 weight  0.10000E+01 volume  0.49200E+00 ppm1      8.088 ppm2      0.858
 ASSI (
   (( segid "    " and resid 19   and name HN  ))
 )(
   (( segid "    " and resid 19   and name HG23))
  OR 
   (( segid "    " and resid 19   and name HG22))
  OR 
   (( segid "    " and resid 19   and name HG21))
 )
      5.000     5.000     0.000 peak  6223 weight  0.10000E+01 volume  0.11700E+01 ppm1      8.087 ppm2      1.111
 ASSI (
   (( segid "    " and resid 19   and name HN  ))
 )(
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HG1 ))
 )
      6.000     6.000     0.000 peak  6224 weight  0.10000E+01 volume  0.24000E+00 ppm1      8.087 ppm2      2.026
 ASSI (
   (( segid "    " and resid 20   and name HN  ))
 )(
   (( segid "    " and resid 18   and name HA  ))
 )
      5.000     5.000     0.000 peak  6236 weight  0.10000E+01 volume  0.94500E+00 ppm1      7.663 ppm2      4.407
 ASSI (
   (( segid "    " and resid 20   and name HN  ))
 )(
   (( segid "    " and resid 19   and name HN  ))
 )
      2.700     2.700     0.000 peak  5843 weight  0.10000E+01 volume  0.32910E+01 ppm1      7.663 ppm2      8.098
 ASSI (
   (( segid "    " and resid 20   and name HN  ))
 )(
   (( segid "    " and resid 20   and name HA  ))
 )
      3.300     3.300     0.000 peak  6234 weight  0.10000E+01 volume  0.28930E+01 ppm1      7.664 ppm2      4.258
 ASSI (
   (( segid "    " and resid 20   and name HN  ))
 )(
   (( segid "    " and resid 20   and name HB2 ))
  OR 
   (( segid "    " and resid 20   and name HB1 ))
 )
      2.700     2.700     0.000 peak  6230 weight  0.10000E+01 volume  0.30310E+01 ppm1      7.662 ppm2      1.705
 ASSI (
   (( segid "    " and resid 21   and name HN  ))
 )(
   (( segid "    " and resid 20   and name HB2 ))
  OR 
   (( segid "    " and resid 20   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5850 weight  0.10000E+01 volume  0.95200E+00 ppm1      8.146 ppm2      1.719
 ASSI (
   (( segid "    " and resid 21   and name HN  ))
 )(
   (( segid "    " and resid 20   and name HG2 ))
  OR 
   (( segid "    " and resid 20   and name HG1 ))
 )
      5.000     5.000     0.000 peak  5848 weight  0.10000E+01 volume  0.46700E+00 ppm1      8.149 ppm2      2.035
 ASSI (
   (( segid "    " and resid 21   and name HN  ))
 )(
   (( segid "    " and resid 20   and name HN  ))
 )
      5.000     5.000     0.000 peak  5847 weight  0.10000E+01 volume  0.49100E+00 ppm1      8.146 ppm2      7.657
 ASSI (
   (( segid "    " and resid 21   and name HN  ))
 )(
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )
      5.000     5.000     0.000 peak  6238 weight  0.10000E+01 volume  0.89400E+00 ppm1      8.145 ppm2      1.059
 ASSI (
   (( segid "    " and resid 21   and name HN  ))
 )(
   (( segid "    " and resid 22   and name HN  ))
 )
      3.300     3.300     0.000 peak  5846 weight  0.10000E+01 volume  0.25980E+01 ppm1      8.146 ppm2      7.295
 ASSI (
   (( segid "    " and resid 22   and name HN  ))
 )(
   (( segid "    " and resid 21   and name HB  ))
 )
      3.300     3.300     0.000 peak  5853 weight  0.10000E+01 volume  0.17210E+01 ppm1      7.316 ppm2      4.280
 ASSI (
   (( segid "    " and resid 22   and name HN  ))
 )(
   (( segid "    " and resid 21   and name HG23))
  OR 
   (( segid "    " and resid 21   and name HG22))
  OR 
   (( segid "    " and resid 21   and name HG21))
 )
      5.000     5.000     0.000 peak  5857 weight  0.10000E+01 volume  0.43200E+00 ppm1      7.315 ppm2      1.059
 ASSI (
   (( segid "    " and resid 22   and name HN  ))
 )(
   (( segid "    " and resid 22   and name HB2 ))
  OR 
   (( segid "    " and resid 22   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6241 weight  0.10000E+01 volume  0.25650E+01 ppm1      7.314 ppm2      1.521
 ASSI (
   (( segid "    " and resid 22   and name HN  ))
 )(
   (( segid "    " and resid 23   and name HN  ))
 )
      6.000     6.000     0.000 peak  6246 weight  0.10000E+01 volume  0.28800E+00 ppm1      7.314 ppm2      8.828
 ASSI (
   (( segid "    " and resid 22   and name HE  ))
 )(
   (( segid "    " and resid 22   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8198 weight  0.10000E+01 volume  0.14560E+01 ppm1      7.191 ppm2      3.105
 ASSI (
   (( segid "    " and resid 22   and name HE  ))
 )(
   (( segid "    " and resid 22   and name HD2 ))
 )
      3.300     3.300     0.000 peak  8197 weight  0.10000E+01 volume  0.15180E+01 ppm1      7.191 ppm2      3.050
 ASSI (
   (( segid "    " and resid 23   and name HN  ))
 )(
   (( segid "    " and resid 1    and name HB1 ))
 )
      5.000     5.000     0.000 peak  6249 weight  0.10000E+01 volume  0.13320E+01 ppm1      8.827 ppm2      2.754
 ASSI (
   (( segid "    " and resid 23   and name HN  ))
 )(
   (( segid "    " and resid 1    and name HB2 ))
 )
      5.000     5.000     0.000 peak  6317 weight  0.10000E+01 volume  0.10310E+01 ppm1      8.827 ppm2      2.609
 ASSI (
   (( segid "    " and resid 23   and name HN  ))
 )(
   (( segid "    " and resid 2    and name HB2 ))
 )
      5.000     5.000     0.000 peak  6247 weight  0.10000E+01 volume  0.35400E+00 ppm1      8.826 ppm2      2.235
 ASSI (
   (( segid "    " and resid 23   and name HN  ))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      5.000     5.000     0.000 peak  6251 weight  0.10000E+01 volume  0.69100E+00 ppm1      8.825 ppm2      4.675
 ASSI (
   (( segid "    " and resid 23   and name HN  ))
 )(
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )
      3.300     3.300     0.000 peak  5859 weight  0.10000E+01 volume  0.17150E+01 ppm1      8.827 ppm2      7.314
 ASSI (
   (( segid "    " and resid 23   and name HN  ))
 )(
   (( segid "    " and resid 24   and name HN  ))
 )
      5.000     5.000     0.000 peak  6254 weight  0.10000E+01 volume  0.42400E+00 ppm1      8.828 ppm2      8.548
 ASSI (
   (( segid "    " and resid 24   and name HN  ))
 )(
   (( segid "    " and resid 23   and name HA  ))
 )
      3.300     3.300     0.000 peak  5862 weight  0.10000E+01 volume  0.28640E+01 ppm1      8.544 ppm2      4.674
 ASSI (
   (( segid "    " and resid 24   and name HN  ))
 )(
   (( segid "    " and resid 23   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5864 weight  0.10000E+01 volume  0.71700E+00 ppm1      8.544 ppm2      2.746
 ASSI (
   (( segid "    " and resid 24   and name HN  ))
 )(
   (( segid "    " and resid 23   and name HD2 ))
  OR 
   (( segid "    " and resid 23   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5863 weight  0.10000E+01 volume  0.62800E+00 ppm1      8.544 ppm2      7.302
 ASSI (
   (( segid "    " and resid 24   and name HN  ))
 )(
   (( segid "    " and resid 24   and name HG1 ))
 )
      3.300     3.300     0.000 peak  6323 weight  0.10000E+01 volume  0.20530E+01 ppm1      8.546 ppm2      1.502
 ASSI (
   (( segid "    " and resid 24   and name HN  ))
 )(
   (( segid "    " and resid 24   and name HG2 ))
 )
      3.300     3.300     0.000 peak  6321 weight  0.10000E+01 volume  0.19950E+01 ppm1      8.547 ppm2      1.428
 ASSI (
   (( segid "    " and resid 25   and name HN  ))
 )(
   (( segid "    " and resid 25   and name HB  ))
 )
      3.300     3.300     0.000 peak  6261 weight  0.10000E+01 volume  0.15380E+01 ppm1      8.601 ppm2      3.786
 ASSI (
   (( segid "    " and resid 25   and name HN  ))
 )(
   (( segid "    " and resid 27   and name HN  ))
 )
      6.000     6.000     0.000 peak  6327 weight  0.10000E+01 volume  0.19500E+00 ppm1      8.603 ppm2      7.866
 ASSI (
   (( segid "    " and resid 26   and name HN  ))
 )(
   (( segid "    " and resid 25   and name HB  ))
 )
      5.000     5.000     0.000 peak  5879 weight  0.10000E+01 volume  0.60000E+00 ppm1      9.168 ppm2      3.784
 ASSI (
   (( segid "    " and resid 26   and name HN  ))
 )(
   (( segid "    " and resid 25   and name HN  ))
 )
      5.000     5.000     0.000 peak  6329 weight  0.10000E+01 volume  0.42200E+00 ppm1      9.167 ppm2      8.557
 ASSI (
   (( segid "    " and resid 26   and name HN  ))
 )(
   (( segid "    " and resid 27   and name HB  ))
 )
      5.000     5.000     0.000 peak  6265 weight  0.10000E+01 volume  0.42600E+00 ppm1      9.166 ppm2      4.020
 ASSI (
   (( segid "    " and resid 26   and name HN  ))
 )(
   (( segid "    " and resid 27   and name HN  ))
 )
      5.000     5.000     0.000 peak  5878 weight  0.10000E+01 volume  0.78400E+00 ppm1      9.167 ppm2      7.868
 ASSI (
   (( segid "    " and resid 26   and name HN  ))
 )(
   (( segid "    " and resid 48   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5881 weight  0.10000E+01 volume  0.48800E+00 ppm1      9.168 ppm2      2.370
 ASSI (
   (( segid "    " and resid 26   and name HN  ))
 )(
   (( segid "    " and resid 48   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5882 weight  0.10000E+01 volume  0.35500E+00 ppm1      9.167 ppm2      1.325
 ASSI (
   (( segid "    " and resid 27   and name HN  ))
 )(
   (( segid "    " and resid 25   and name HA  ))
 )
      5.000     5.000     0.000 peak  6345 weight  0.10000E+01 volume  0.11880E+01 ppm1      7.869 ppm2      3.499
 ASSI (
   (( segid "    " and resid 27   and name HN  ))
 )(
   (( segid "    " and resid 25   and name HB  ))
 )
      5.000     5.000     0.000 peak  6347 weight  0.10000E+01 volume  0.43400E+00 ppm1      7.871 ppm2      3.802
 ASSI (
   (( segid "    " and resid 27   and name HN  ))
 )(
   (( segid "    " and resid 26   and name HA1 ))
 )
      5.000     5.000     0.000 peak  6350 weight  0.10000E+01 volume  0.80000E+00 ppm1      7.869 ppm2      4.372
 ASSI (
   (( segid "    " and resid 27   and name HN  ))
 )(
   (( segid "    " and resid 27   and name HA  ))
 )
      3.300     3.300     0.000 peak  6348 weight  0.10000E+01 volume  0.26150E+01 ppm1      7.869 ppm2      4.047
 ASSI (
   (( segid "    " and resid 27   and name HN  ))
 )(
   (( segid "    " and resid 28   and name HN  ))
 )
      5.000     5.000     0.000 peak  6354 weight  0.10000E+01 volume  0.41600E+00 ppm1      7.868 ppm2      8.728
 ASSI (
   (( segid "    " and resid 27   and name HN  ))
 )(
   (( segid "    " and resid 48   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6343 weight  0.10000E+01 volume  0.86000E+00 ppm1      7.868 ppm2      2.374
 ASSI (
   (( segid "    " and resid 27   and name HN  ))
 )(
   (( segid "    " and resid 48   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6336 weight  0.10000E+01 volume  0.10100E+01 ppm1      7.869 ppm2      1.324
 ASSI (
   (( segid "    " and resid 28   and name HN  ))
 )(
   (( segid "    " and resid 27   and name HA  ))
 )
      2.700     2.700     0.000 peak  6360 weight  0.10000E+01 volume  0.53720E+01 ppm1      8.731 ppm2      4.062
 ASSI (
   (( segid "    " and resid 28   and name HN  ))
 )(
   (( segid "    " and resid 27   and name HG23))
  OR 
   (( segid "    " and resid 27   and name HG22))
  OR 
   (( segid "    " and resid 27   and name HG21))
 )
      3.300     3.300     0.000 peak  5886 weight  0.10000E+01 volume  0.26200E+01 ppm1      8.736 ppm2      1.494
 ASSI (
   (( segid "    " and resid 28   and name HN  ))
 )(
   (( segid "    " and resid 28   and name HB  ))
 )
      3.300     3.300     0.000 peak  7964 weight  0.10000E+01 volume  0.28550E+01 ppm1      8.731 ppm2      3.942
 ASSI (
   (( segid "    " and resid 28   and name HN  ))
 )(
   (( segid "    " and resid 29   and name HN  ))
 )
      5.000     5.000     0.000 peak  6376 weight  0.10000E+01 volume  0.50800E+00 ppm1      8.732 ppm2      9.273
 ASSI (
   (( segid "    " and resid 29   and name HN  ))
 )(
   (( segid "    " and resid 29   and name HA  ))
 )
      5.000     5.000     0.000 peak  6368 weight  0.10000E+01 volume  0.40500E+00 ppm1      9.267 ppm2      4.754
 ASSI (
   (( segid "    " and resid 29   and name HN  ))
 )(
   (( segid "    " and resid 29   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6365 weight  0.10000E+01 volume  0.89800E+00 ppm1      9.269 ppm2      1.622
 ASSI (
   (( segid "    " and resid 29   and name HN  ))
 )(
   (( segid "    " and resid 29   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6363 weight  0.10000E+01 volume  0.76400E+00 ppm1      9.268 ppm2      1.299
 ASSI (
   (( segid "    " and resid 29   and name HN  ))
 )(
   (( segid "    " and resid 29   and name HD13))
  OR 
   (( segid "    " and resid 29   and name HD12))
  OR 
   (( segid "    " and resid 29   and name HD11))
 )
      5.000     5.000     0.000 peak  5898 weight  0.10000E+01 volume  0.33200E+00 ppm1      9.271 ppm2      0.073
 ASSI (
   (( segid "    " and resid 29   and name HN  ))
 )(
   (( segid "    " and resid 29   and name HG  ))
 )
      5.000     5.000     0.000 peak  5894 weight  0.10000E+01 volume  0.94200E+00 ppm1      9.268 ppm2      1.473
 ASSI (
   (( segid "    " and resid 29   and name HN  ))
 )(
   (( segid "    " and resid 45   and name HA  ))
 )
      5.000     5.000     0.000 peak  6370 weight  0.10000E+01 volume  0.37600E+00 ppm1      9.267 ppm2      5.213
 ASSI (
   (( segid "    " and resid 29   and name HN  ))
 )(
   (( segid "    " and resid 46   and name HN  ))
 )
      5.000     5.000     0.000 peak  5889 weight  0.10000E+01 volume  0.79800E+00 ppm1      9.268 ppm2      8.477
 ASSI (
   (( segid "    " and resid 29   and name HN  ))
 )(
   (( segid "    " and resid 47   and name HA  ))
 )
      5.000     5.000     0.000 peak  6372 weight  0.10000E+01 volume  0.12430E+01 ppm1      9.268 ppm2      5.572
 ASSI (
   (( segid "    " and resid 30   and name HN  ))
 )(
   (( segid "    " and resid 29   and name HA  ))
 )
      3.300     3.300     0.000 peak  5899 weight  0.10000E+01 volume  0.24170E+01 ppm1      8.741 ppm2      4.742
 ASSI (
   (( segid "    " and resid 30   and name HN  ))
 )(
   (( segid "    " and resid 29   and name HB1 ))
 )
      3.300     3.300     0.000 peak  7978 weight  0.10000E+01 volume  0.26070E+01 ppm1      8.741 ppm2      1.611
 ASSI (
   (( segid "    " and resid 30   and name HN  ))
 )(
   (( segid "    " and resid 29   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5903 weight  0.10000E+01 volume  0.96800E+00 ppm1      8.742 ppm2      1.306
 ASSI (
   (( segid "    " and resid 30   and name HN  ))
 )(
   (( segid "    " and resid 30   and name HB2 ))
 )
      3.300     3.300     0.000 peak  5902 weight  0.10000E+01 volume  0.22240E+01 ppm1      8.741 ppm2      1.667
 ASSI (
   (( segid "    " and resid 30   and name HN  ))
 )(
   (( segid "    " and resid 31   and name HE2 ))
  OR 
   (( segid "    " and resid 31   and name HE1 ))
 )
      6.000     6.000     0.000 peak  6380 weight  0.10000E+01 volume  0.26400E+00 ppm1      8.739 ppm2      6.220
 ASSI (
   (( segid "    " and resid 30   and name HN  ))
 )(
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )
      5.000     5.000     0.000 peak  6356 weight  0.10000E+01 volume  0.42200E+00 ppm1      8.740 ppm2      0.892
 ASSI (
   (( segid "    " and resid 32   and name HN  ))
 )(
   (( segid "    " and resid 13   and name HA  ))
 )
      5.000     5.000     0.000 peak  5909 weight  0.10000E+01 volume  0.51000E+00 ppm1      8.927 ppm2      3.113
 ASSI (
   (( segid "    " and resid 32   and name HN  ))
 )(
   (( segid "    " and resid 14   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6386 weight  0.10000E+01 volume  0.34300E+00 ppm1      8.931 ppm2      1.580
 ASSI (
   (( segid "    " and resid 32   and name HN  ))
 )(
   (( segid "    " and resid 14   and name HG2 ))
  OR 
   (( segid "    " and resid 14   and name HG1 ))
 )
      5.000     5.000     0.000 peak  6387 weight  0.10000E+01 volume  0.39700E+00 ppm1      8.926 ppm2      2.234
 ASSI (
   (( segid "    " and resid 32   and name HN  ))
 )(
   (( segid "    " and resid 31   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5912 weight  0.10000E+01 volume  0.66100E+00 ppm1      8.926 ppm2      2.639
 ASSI (
   (( segid "    " and resid 32   and name HN  ))
 )(
   (( segid "    " and resid 31   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5913 weight  0.10000E+01 volume  0.71900E+00 ppm1      8.926 ppm2      2.501
 ASSI (
   (( segid "    " and resid 32   and name HN  ))
 )(
   (( segid "    " and resid 31   and name HN  ))
 )
      5.000     5.000     0.000 peak  6394 weight  0.10000E+01 volume  0.41200E+00 ppm1      8.929 ppm2      8.395
 ASSI (
   (( segid "    " and resid 33   and name HN  ))
 )(
   (( segid "    " and resid 32   and name HA  ))
 )
      3.300     3.300     0.000 peak  5915 weight  0.10000E+01 volume  0.25960E+01 ppm1      8.427 ppm2      4.707
 ASSI (
   (( segid "    " and resid 33   and name HN  ))
 )(
   (( segid "    " and resid 33   and name HA  ))
 )
      5.000     5.000     0.000 peak  5914 weight  0.10000E+01 volume  0.83500E+00 ppm1      8.428 ppm2      5.089
 ASSI (
   (( segid "    " and resid 34   and name HN  ))
 )(
   (( segid "    " and resid 33   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5927 weight  0.10000E+01 volume  0.31400E+00 ppm1      7.386 ppm2      3.225
 ASSI (
   (( segid "    " and resid 36   and name HN  ))
 )(
   (( segid "    " and resid 35   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6408 weight  0.10000E+01 volume  0.31900E+00 ppm1      8.269 ppm2      1.778
 ASSI (
   (( segid "    " and resid 36   and name HN  ))
 )(
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6413 weight  0.10000E+01 volume  0.44800E+00 ppm1      8.268 ppm2      6.677
 ASSI (
   (( segid "    " and resid 37   and name HN  ))
 )(
   (( segid "    " and resid 36   and name HA1 ))
 )
      5.000     5.000     0.000 peak  5936 weight  0.10000E+01 volume  0.56400E+00 ppm1      8.127 ppm2      3.696
 ASSI (
   (( segid "    " and resid 37   and name HN  ))
 )(
   (( segid "    " and resid 37   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6415 weight  0.10000E+01 volume  0.66100E+00 ppm1      8.128 ppm2      2.624
 ASSI (
   (( segid "    " and resid 37   and name HN  ))
 )(
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  5939 weight  0.10000E+01 volume  0.39700E+00 ppm1      8.128 ppm2      0.528
 ASSI (
   (( segid "    " and resid 37   and name HN  ))
 )(
   (( segid "    " and resid 60   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6417 weight  0.10000E+01 volume  0.33100E+00 ppm1      8.123 ppm2      2.989
 ASSI (
   (( segid "    " and resid 37   and name HN  ))
 )(
   (( segid "    " and resid 62   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5775 weight  0.10000E+01 volume  0.35400E+00 ppm1      8.124 ppm2      2.776
 ASSI (
   (( segid "    " and resid 38   and name HN  ))
 )(
   (( segid "    " and resid 37   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5941 weight  0.10000E+01 volume  0.36500E+00 ppm1      9.248 ppm2      2.629
 ASSI (
   (( segid "    " and resid 38   and name HN  ))
 )(
   (( segid "    " and resid 37   and name HD2 ))
  OR 
   (( segid "    " and resid 37   and name HD1 ))
 )
      5.000     5.000     0.000 peak  5945 weight  0.10000E+01 volume  0.34700E+00 ppm1      9.246 ppm2      6.684
 ASSI (
   (( segid "    " and resid 38   and name HN  ))
 )(
   (( segid "    " and resid 38   and name HG23))
  OR 
   (( segid "    " and resid 38   and name HG22))
  OR 
   (( segid "    " and resid 38   and name HG21))
  OR 
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  5940 weight  0.10000E+01 volume  0.10320E+01 ppm1      9.243 ppm2      0.541
 ASSI (
   (( segid "    " and resid 38   and name HN  ))
 )(
   (( segid "    " and resid 39   and name HN  ))
 )
      6.000     6.000     0.000 peak  5947 weight  0.10000E+01 volume  0.29600E+00 ppm1      9.252 ppm2      8.366
 ASSI (
   (( segid "    " and resid 38   and name HN  ))
 )(
   (( segid "    " and resid 60   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5942 weight  0.10000E+01 volume  0.44200E+00 ppm1      9.247 ppm2      2.982
 ASSI (
   (( segid "    " and resid 39   and name HE  ))
 )(
   (( segid "    " and resid 39   and name HD2 ))
  OR 
   (( segid "    " and resid 39   and name HD1 ))
 )
      3.300     3.300     0.000 peak  8193 weight  0.10000E+01 volume  0.20100E+01 ppm1      7.060 ppm2      3.175
 ASSI (
   (( segid "    " and resid 40   and name HN  ))
 )(
   (( segid "    " and resid 39   and name HB2 ))
  OR 
   (( segid "    " and resid 39   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5949 weight  0.10000E+01 volume  0.11070E+01 ppm1      8.430 ppm2      1.910
 ASSI (
   (( segid "    " and resid 40   and name HN  ))
 )(
   (( segid "    " and resid 39   and name HD2 ))
  OR 
   (( segid "    " and resid 39   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6435 weight  0.10000E+01 volume  0.34300E+00 ppm1      8.432 ppm2      3.166
 ASSI (
   (( segid "    " and resid 40   and name HN  ))
 )(
   (( segid "    " and resid 40   and name HA  ))
 )
      5.000     5.000     0.000 peak  6439 weight  0.10000E+01 volume  0.11810E+01 ppm1      8.432 ppm2      4.517
 ASSI (
   (( segid "    " and resid 40   and name HN  ))
 )(
   (( segid "    " and resid 41   and name HN  ))
 )
      5.000     5.000     0.000 peak  6440 weight  0.10000E+01 volume  0.42700E+00 ppm1      8.434 ppm2      8.045
 ASSI (
   (( segid "    " and resid 40   and name HN  ))
 )(
   (( segid "    " and resid 60   and name HA  ))
 )
      5.000     5.000     0.000 peak  5217 weight  0.10000E+01 volume  0.68800E+00 ppm1      8.432 ppm2      5.537
 ASSI (
   (( segid "    " and resid 41   and name HN  ))
 )(
   (( segid "    " and resid 39   and name HA  ))
 )
      5.000     5.000     0.000 peak  6453 weight  0.10000E+01 volume  0.95700E+00 ppm1      8.043 ppm2      4.671
 ASSI (
   (( segid "    " and resid 41   and name HN  ))
 )(
   (( segid "    " and resid 39   and name HB2 ))
  OR 
   (( segid "    " and resid 39   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6444 weight  0.10000E+01 volume  0.49900E+00 ppm1      8.044 ppm2      1.917
 ASSI (
   (( segid "    " and resid 41   and name HN  ))
 )(
   (( segid "    " and resid 40   and name HA  ))
 )
      5.000     5.000     0.000 peak  6452 weight  0.10000E+01 volume  0.95600E+00 ppm1      8.043 ppm2      4.533
 ASSI (
   (( segid "    " and resid 41   and name HN  ))
 )(
   (( segid "    " and resid 40   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6450 weight  0.10000E+01 volume  0.59500E+00 ppm1      8.044 ppm2      3.901
 ASSI (
   (( segid "    " and resid 41   and name HN  ))
 )(
   (( segid "    " and resid 41   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6446 weight  0.10000E+01 volume  0.56900E+00 ppm1      8.041 ppm2      3.361
 ASSI (
   (( segid "    " and resid 41   and name HN  ))
 )(
   (( segid "    " and resid 41   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6443 weight  0.10000E+01 volume  0.61600E+00 ppm1      8.042 ppm2      3.122
 ASSI (
   (( segid "    " and resid 43   and name HN  ))
 )(
   (( segid "    " and resid 41   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5951 weight  0.10000E+01 volume  0.53400E+00 ppm1      8.262 ppm2      3.362
 ASSI (
   (( segid "    " and resid 43   and name HN  ))
 )(
   (( segid "    " and resid 41   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6461 weight  0.10000E+01 volume  0.41900E+00 ppm1      8.262 ppm2      3.120
 ASSI (
   (( segid "    " and resid 43   and name HN  ))
 )(
   (( segid "    " and resid 42   and name HB2 ))
 )
      3.300     3.300     0.000 peak  5952 weight  0.10000E+01 volume  0.19320E+01 ppm1      8.262 ppm2      3.831
 ASSI (
   (( segid "    " and resid 46   and name HN  ))
 )(
   (( segid "    " and resid 45   and name HG23))
  OR 
   (( segid "    " and resid 45   and name HG22))
  OR 
   (( segid "    " and resid 45   and name HG21))
 )
      5.000     5.000     0.000 peak  5957 weight  0.10000E+01 volume  0.80900E+00 ppm1      8.481 ppm2      0.899
 ASSI (
   (( segid "    " and resid 46   and name HN  ))
 )(
   (( segid "    " and resid 45   and name HN  ))
 )
      5.000     5.000     0.000 peak  4948 weight  0.10000E+01 volume  0.37200E+00 ppm1      8.482 ppm2      6.513
 ASSI (
   (( segid "    " and resid 46   and name HN  ))
 )(
   (( segid "    " and resid 46   and name HA  ))
 )
      5.000     5.000     0.000 peak  6475 weight  0.10000E+01 volume  0.47700E+00 ppm1      8.482 ppm2      4.864
 ASSI (
   (( segid "    " and resid 47   and name HN  ))
 )(
   (( segid "    " and resid 46   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6480 weight  0.10000E+01 volume  0.38200E+00 ppm1      8.472 ppm2      1.850
 ASSI (
   (( segid "    " and resid 47   and name HN  ))
 )(
   (( segid "    " and resid 46   and name HD13))
  OR 
   (( segid "    " and resid 46   and name HD12))
  OR 
   (( segid "    " and resid 46   and name HD11))
 )
      6.000     6.000     0.000 peak  6478 weight  0.10000E+01 volume  0.18600E+00 ppm1      8.473 ppm2     -0.009
 ASSI (
   (( segid "    " and resid 47   and name HN  ))
 )(
   (( segid "    " and resid 46   and name HD23))
  OR 
   (( segid "    " and resid 46   and name HD22))
  OR 
   (( segid "    " and resid 46   and name HD21))
 )
      5.000     5.000     0.000 peak  6477 weight  0.10000E+01 volume  0.30400E+00 ppm1      8.472 ppm2     -0.143
 ASSI (
   (( segid "    " and resid 47   and name HN  ))
 )(
   (( segid "    " and resid 47   and name HA  ))
 )
      5.000     5.000     0.000 peak  6483 weight  0.10000E+01 volume  0.39800E+00 ppm1      8.471 ppm2      5.575
 ASSI (
   (( segid "    " and resid 47   and name HN  ))
 )(
   (( segid "    " and resid 55   and name HN  ))
 )
      5.000     5.000     0.000 peak  6487 weight  0.10000E+01 volume  0.49900E+00 ppm1      8.470 ppm2      9.608
 ASSI (
   (( segid "    " and resid 48   and name HN  ))
 )(
   (( segid "    " and resid 25   and name HB  ))
 )
      5.000     5.000     0.000 peak  6491 weight  0.10000E+01 volume  0.41700E+00 ppm1      8.512 ppm2      3.798
 ASSI (
   (( segid "    " and resid 48   and name HN  ))
 )(
   (( segid "    " and resid 27   and name HB  ))
 )
      5.000     5.000     0.000 peak  6492 weight  0.10000E+01 volume  0.12170E+01 ppm1      8.512 ppm2      4.011
 ASSI (
   (( segid "    " and resid 48   and name HN  ))
 )(
   (( segid "    " and resid 48   and name HB2 ))
 )
      3.300     3.300     0.000 peak  6489 weight  0.10000E+01 volume  0.15290E+01 ppm1      8.509 ppm2      1.340
 ASSI (
   (( segid "    " and resid 48   and name HN  ))
 )(
   (( segid "    " and resid 49   and name HN  ))
 )
      5.000     5.000     0.000 peak  6497 weight  0.10000E+01 volume  0.33800E+00 ppm1      8.512 ppm2      9.048
 ASSI (
   (( segid "    " and resid 48   and name HN  ))
 )(
   (( segid "    " and resid 54   and name HZ3 ))
 )
      5.000     5.000     0.000 peak  6494 weight  0.10000E+01 volume  0.52700E+00 ppm1      8.510 ppm2      6.699
 ASSI (
   (( segid "    " and resid 49   and name HN  ))
 )(
   (( segid "    " and resid 48   and name HB1 ))
 )
      6.000     6.000     0.000 peak  6500 weight  0.10000E+01 volume  0.18200E+00 ppm1      9.050 ppm2      2.362
 ASSI (
   (( segid "    " and resid 49   and name HN  ))
 )(
   (( segid "    " and resid 48   and name HB2 ))
 )
      6.000     6.000     0.000 peak  6499 weight  0.10000E+01 volume  0.27400E+00 ppm1      9.050 ppm2      1.318
 ASSI (
   (( segid "    " and resid 49   and name HN  ))
 )(
   (( segid "    " and resid 50   and name HN  ))
 )
      6.000     6.000     0.000 peak  6511 weight  0.10000E+01 volume  0.25300E+00 ppm1      9.050 ppm2      8.157
 ASSI (
   (( segid "    " and resid 49   and name HN  ))
 )(
   (( segid "    " and resid 52   and name HN  ))
 )
      6.000     6.000     0.000 peak  6553 weight  0.10000E+01 volume  0.75000E-01 ppm1      9.047 ppm2      7.916
 ASSI (
   (( segid "    " and resid 49   and name HN  ))
 )(
   (( segid "    " and resid 53   and name HN  ))
 )
      5.000     5.000     0.000 peak  6510 weight  0.10000E+01 volume  0.37500E+00 ppm1      9.050 ppm2      7.512
 ASSI (
   (( segid "    " and resid 49   and name HN  ))
 )(
   (( segid "    " and resid 55   and name HN  ))
 )
      6.000     6.000     0.000 peak  6513 weight  0.10000E+01 volume  0.27800E+00 ppm1      9.049 ppm2      9.609
 ASSI (
   (( segid "    " and resid 50   and name HN  ))
 )(
   (( segid "    " and resid 25   and name HG23))
  OR 
   (( segid "    " and resid 25   and name HG22))
  OR 
   (( segid "    " and resid 25   and name HG21))
 )
      5.000     5.000     0.000 peak  5971 weight  0.10000E+01 volume  0.72700E+00 ppm1      8.161 ppm2      1.052
 ASSI (
   (( segid "    " and resid 50   and name HN  ))
 )(
   (( segid "    " and resid 49   and name HA  ))
 )
      3.300     3.300     0.000 peak  5977 weight  0.10000E+01 volume  0.16500E+01 ppm1      8.159 ppm2      4.791
 ASSI (
   (( segid "    " and resid 50   and name HN  ))
 )(
   (( segid "    " and resid 49   and name HB1 ))
 )
      3.300     3.300     0.000 peak  5974 weight  0.10000E+01 volume  0.17430E+01 ppm1      8.160 ppm2      3.367
 ASSI (
   (( segid "    " and resid 50   and name HN  ))
 )(
   (( segid "    " and resid 50   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6518 weight  0.10000E+01 volume  0.15980E+01 ppm1      8.160 ppm2      3.922
 ASSI (
   (( segid "    " and resid 50   and name HN  ))
 )(
   (( segid "    " and resid 50   and name HB2 ))
 )
      3.300     3.300     0.000 peak  5976 weight  0.10000E+01 volume  0.16180E+01 ppm1      8.160 ppm2      3.797
 ASSI (
   (( segid "    " and resid 50   and name HN  ))
 )(
   (( segid "    " and resid 51   and name HN  ))
 )
      5.000     5.000     0.000 peak  6524 weight  0.10000E+01 volume  0.75100E+00 ppm1      8.161 ppm2      7.634
 ASSI (
   (( segid "    " and resid 51   and name HN  ))
 )(
   (( segid "    " and resid 49   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5979 weight  0.10000E+01 volume  0.55500E+00 ppm1      7.638 ppm2      3.383
 ASSI (
   (( segid "    " and resid 51   and name HN  ))
 )(
   (( segid "    " and resid 49   and name HN  ))
 )
      6.000     6.000     0.000 peak  6536 weight  0.10000E+01 volume  0.13000E+00 ppm1      7.636 ppm2      9.046
 ASSI (
   (( segid "    " and resid 51   and name HN  ))
 )(
   (( segid "    " and resid 50   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6533 weight  0.10000E+01 volume  0.49300E+00 ppm1      7.638 ppm2      3.926
 ASSI (
   (( segid "    " and resid 51   and name HN  ))
 )(
   (( segid "    " and resid 50   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6531 weight  0.10000E+01 volume  0.49400E+00 ppm1      7.638 ppm2      3.791
 ASSI (
   (( segid "    " and resid 51   and name HN  ))
 )(
   (( segid "    " and resid 51   and name HA  ))
 )
      5.000     5.000     0.000 peak  6534 weight  0.10000E+01 volume  0.93900E+00 ppm1      7.638 ppm2      4.742
 ASSI (
   (( segid "    " and resid 51   and name HN  ))
 )(
   (( segid "    " and resid 52   and name HN  ))
 )
      3.300     3.300     0.000 peak  5983 weight  0.10000E+01 volume  0.20300E+01 ppm1      7.637 ppm2      7.916
 ASSI (
   (( segid "    " and resid 52   and name HN  ))
 )(
   (( segid "    " and resid 51   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6543 weight  0.10000E+01 volume  0.30100E+00 ppm1      7.918 ppm2      2.803
 ASSI (
   (( segid "    " and resid 52   and name HN  ))
 )(
   (( segid "    " and resid 51   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5985 weight  0.10000E+01 volume  0.45700E+00 ppm1      7.918 ppm2      2.541
 ASSI (
   (( segid "    " and resid 52   and name HN  ))
 )(
   (( segid "    " and resid 52   and name HA2 ))
 )
      3.300     3.300     0.000 peak  6545 weight  0.10000E+01 volume  0.17270E+01 ppm1      7.918 ppm2      3.418
 ASSI (
   (( segid "    " and resid 52   and name HN  ))
 )(
   (( segid "    " and resid 53   and name HB2 ))
 )
      6.000     6.000     0.000 peak  6539 weight  0.10000E+01 volume  0.20700E+00 ppm1      7.918 ppm2      1.746
 ASSI (
   (( segid "    " and resid 52   and name HN  ))
 )(
   (( segid "    " and resid 53   and name HG2 ))
 )
      5.000     5.000     0.000 peak  6542 weight  0.10000E+01 volume  0.34100E+00 ppm1      7.917 ppm2      2.077
 ASSI (
   (( segid "    " and resid 52   and name HN  ))
 )(
   (( segid "    " and resid 53   and name HN  ))
 )
      3.300     3.300     0.000 peak  5988 weight  0.10000E+01 volume  0.24360E+01 ppm1      7.917 ppm2      7.509
 ASSI (
   (( segid "    " and resid 53   and name HN  ))
 )(
   (( segid "    " and resid 51   and name HA  ))
 )
      6.000     6.000     0.000 peak  5996 weight  0.10000E+01 volume  0.26100E+00 ppm1      7.509 ppm2      4.746
 ASSI (
   (( segid "    " and resid 53   and name HN  ))
 )(
   (( segid "    " and resid 51   and name HB1 ))
 )
      5.000     5.000     0.000 peak  5991 weight  0.10000E+01 volume  0.35100E+00 ppm1      7.510 ppm2      2.813
 ASSI (
   (( segid "    " and resid 53   and name HN  ))
 )(
   (( segid "    " and resid 51   and name HB2 ))
 )
      5.000     5.000     0.000 peak  5990 weight  0.10000E+01 volume  0.35700E+00 ppm1      7.510 ppm2      2.543
 ASSI (
   (( segid "    " and resid 53   and name HN  ))
 )(
   (( segid "    " and resid 53   and name HA  ))
 )
      5.000     5.000     0.000 peak  6564 weight  0.10000E+01 volume  0.80900E+00 ppm1      7.509 ppm2      4.500
 ASSI (
   (( segid "    " and resid 53   and name HN  ))
 )(
   (( segid "    " and resid 53   and name HG1 ))
 )
      5.000     5.000     0.000 peak  6562 weight  0.10000E+01 volume  0.87300E+00 ppm1      7.510 ppm2      2.160
 ASSI (
   (( segid "    " and resid 53   and name HN  ))
 )(
   (( segid "    " and resid 54   and name HN  ))
 )
      5.000     5.000     0.000 peak  6567 weight  0.10000E+01 volume  0.30500E+00 ppm1      7.509 ppm2      8.383
 ASSI (
   (( segid "    " and resid 54   and name HN  ))
 )(
   (( segid "    " and resid 53   and name HB1 ))
 )
      2.700     2.700     0.000 peak  6570 weight  0.10000E+01 volume  0.44770E+01 ppm1      8.391 ppm2      1.902
 ASSI (
   (( segid "    " and resid 54   and name HN  ))
 )(
   (( segid "    " and resid 53   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6569 weight  0.10000E+01 volume  0.11360E+01 ppm1      8.390 ppm2      1.750
 ASSI (
   (( segid "    " and resid 54   and name HN  ))
 )(
   (( segid "    " and resid 54   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6573 weight  0.10000E+01 volume  0.18170E+01 ppm1      8.389 ppm2      3.072
 ASSI (
   (( segid "    " and resid 54   and name HE1 ))
 )(
   (( segid "    " and resid 54   and name HZ2 ))
 )
      5.000     5.000     0.000 peak  6673 weight  0.10000E+01 volume  0.68600E+00 ppm1     10.001 ppm2      6.939
 ASSI (
   (( segid "    " and resid 55   and name HN  ))
 )(
   (( segid "    " and resid 54   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6003 weight  0.10000E+01 volume  0.53300E+00 ppm1      9.613 ppm2      2.890
 ASSI (
   (( segid "    " and resid 55   and name HN  ))
 )(
   (( segid "    " and resid 54   and name HN  ))
 )
      5.000     5.000     0.000 peak  6582 weight  0.10000E+01 volume  0.57900E+00 ppm1      9.614 ppm2      8.391
 ASSI (
   (( segid "    " and resid 55   and name HN  ))
 )(
   (( segid "    " and resid 55   and name HA  ))
 )
      5.000     5.000     0.000 peak  6593 weight  0.10000E+01 volume  0.51300E+00 ppm1      9.613 ppm2      4.445
 ASSI (
   (( segid "    " and resid 55   and name HN  ))
 )(
   (( segid "    " and resid 56   and name HN  ))
 )
      6.000     6.000     0.000 peak  6597 weight  0.10000E+01 volume  0.18100E+00 ppm1      9.614 ppm2      7.800
 ASSI (
   (( segid "    " and resid 56   and name HN  ))
 )(
   (( segid "    " and resid 55   and name HA  ))
 )
      2.700     2.700     0.000 peak  6011 weight  0.10000E+01 volume  0.35660E+01 ppm1      7.804 ppm2      4.441
 ASSI (
   (( segid "    " and resid 57   and name HN  ))
 )(
   (( segid "    " and resid 56   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6016 weight  0.10000E+01 volume  0.78000E+00 ppm1      8.539 ppm2      3.629
 ASSI (
   (( segid "    " and resid 57   and name HN  ))
 )(
   (( segid "    " and resid 56   and name HD2 ))
  OR 
   (( segid "    " and resid 56   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6018 weight  0.10000E+01 volume  0.62700E+00 ppm1      8.537 ppm2      6.813
 ASSI (
   (( segid "    " and resid 58   and name HN  ))
 )(
   (( segid "    " and resid 58   and name HA  ))
 )
      5.000     5.000     0.000 peak  6613 weight  0.10000E+01 volume  0.55600E+00 ppm1      8.267 ppm2      3.570
 ASSI (
   (( segid "    " and resid 58   and name HN  ))
 )(
   (( segid "    " and resid 58   and name HB  ))
 )
      3.300     3.300     0.000 peak  6615 weight  0.10000E+01 volume  0.22840E+01 ppm1      8.267 ppm2      3.853
 ASSI (
   (( segid "    " and resid 60   and name HN  ))
 )(
   (( segid "    " and resid 60   and name HA  ))
 )
      6.000     6.000     0.000 peak  6621 weight  0.10000E+01 volume  0.27000E+00 ppm1      6.534 ppm2      5.545
 ASSI (
   (( segid "    " and resid 60   and name HN  ))
 )(
   (( segid "    " and resid 60   and name HB2 ))
  OR 
   (( segid "    " and resid 60   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6026 weight  0.10000E+01 volume  0.49300E+00 ppm1      6.533 ppm2      2.980
 ASSI (
   (( segid "    " and resid 63   and name HN  ))
 )(
   (( segid "    " and resid 38   and name HG13))
  OR 
   (( segid "    " and resid 38   and name HG12))
  OR 
   (( segid "    " and resid 38   and name HG11))
 )
      5.000     5.000     0.000 peak  6622 weight  0.10000E+01 volume  0.30100E+00 ppm1      7.814 ppm2      0.510
 ASSI (
   (( segid "    " and resid 63   and name HN  ))
 )(
   (( segid "    " and resid 62   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6034 weight  0.10000E+01 volume  0.55100E+00 ppm1      7.815 ppm2      2.755
 ASSI (
   (( segid "    " and resid 63   and name HN  ))
 )(
   (( segid "    " and resid 62   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6035 weight  0.10000E+01 volume  0.43400E+00 ppm1      7.814 ppm2      2.535
 ASSI (
   (( segid "    " and resid 63   and name HN  ))
 )(
   (( segid "    " and resid 62   and name HD2 ))
  OR 
   (( segid "    " and resid 62   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6628 weight  0.10000E+01 volume  0.39700E+00 ppm1      7.815 ppm2      6.555
 ASSI (
   (( segid "    " and resid 63   and name HN  ))
 )(
   (( segid "    " and resid 62   and name HE2 ))
  OR 
   (( segid "    " and resid 62   and name HE1 ))
 )
      5.000     5.000     0.000 peak  6630 weight  0.10000E+01 volume  0.42700E+00 ppm1      7.817 ppm2      6.693
 ASSI (
   (( segid "    " and resid 63   and name HN  ))
 )(
   (( segid "    " and resid 63   and name HA  ))
 )
      5.000     5.000     0.000 peak  6030 weight  0.10000E+01 volume  0.63500E+00 ppm1      7.816 ppm2      4.156
 ASSI (
   (( segid "    " and resid 63   and name HN  ))
 )(
   (( segid "    " and resid 63   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6036 weight  0.10000E+01 volume  0.50700E+00 ppm1      7.814 ppm2      1.418
 ASSI (
   (( segid "    " and resid 63   and name HN  ))
 )(
   (( segid "    " and resid 63   and name HG2 ))
 )
      5.000     5.000     0.000 peak  6039 weight  0.10000E+01 volume  0.49400E+00 ppm1      7.813 ppm2      1.013
 ASSI (
   (( segid "    " and resid 64   and name HN  ))
 )(
   (( segid "    " and resid 64   and name HA  ))
 )
      5.000     5.000     0.000 peak  6040 weight  0.10000E+01 volume  0.38900E+00 ppm1      7.728 ppm2      4.510
 ASSI (
   (( segid "    " and resid 64   and name HN  ))
 )(
   (( segid "    " and resid 64   and name HB2 ))
 )
      3.300     3.300     0.000 peak  6043 weight  0.10000E+01 volume  0.16850E+01 ppm1      7.729 ppm2      1.403
 ASSI (
   (( segid "    " and resid 64   and name HN  ))
 )(
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )
      5.000     5.000     0.000 peak  6632 weight  0.10000E+01 volume  0.52100E+00 ppm1      7.731 ppm2      0.504
 ASSI (
   (( segid "    " and resid 64   and name HN  ))
 )(
   (( segid "    " and resid 113  and name HG23))
  OR 
   (( segid "    " and resid 113  and name HG22))
  OR 
   (( segid "    " and resid 113  and name HG21))
 )
      5.000     5.000     0.000 peak  6046 weight  0.10000E+01 volume  0.42900E+00 ppm1      7.731 ppm2      0.417
 ASSI (
   (( segid "    " and resid 65   and name HN  ))
 )(
   (( segid "    " and resid 65   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6638 weight  0.10000E+01 volume  0.16240E+01 ppm1      8.546 ppm2      2.376
 ASSI (
   (( segid "    " and resid 65   and name HN  ))
 )(
   (( segid "    " and resid 115  and name HE1 ))
 )
      6.000     6.000     0.000 peak  6714 weight  0.10000E+01 volume  0.18200E+00 ppm1      8.545 ppm2     10.495
 ASSI (
   (( segid "    " and resid 66   and name HN  ))
 )(
   (( segid "    " and resid 65   and name HB2 ))
 )
      3.300     3.300     0.000 peak  6650 weight  0.10000E+01 volume  0.15030E+01 ppm1      8.351 ppm2      2.309
 ASSI (
   (( segid "    " and resid 66   and name HN  ))
 )(
   (( segid "    " and resid 67   and name HN  ))
 )
      5.000     5.000     0.000 peak  6654 weight  0.10000E+01 volume  0.33400E+00 ppm1      8.350 ppm2      8.922
 ASSI (
   (( segid "    " and resid 66   and name HN  ))
 )(
   (( segid "    " and resid 115  and name HE1 ))
 )
      5.000     5.000     0.000 peak  6656 weight  0.10000E+01 volume  0.39000E+00 ppm1      8.352 ppm2     10.495
 ASSI (
   (( segid "    " and resid 66   and name HE  ))
 )(
   (( segid "    " and resid 66   and name HB2 ))
 )
      5.000     5.000     0.000 peak  8587 weight  0.10000E+01 volume  0.48200E+00 ppm1      7.174 ppm2      1.739
 ASSI (
   (( segid "    " and resid 66   and name HE  ))
 )(
   (( segid "    " and resid 66   and name HD2 ))
  OR 
   (( segid "    " and resid 66   and name HD1 ))
 )
      5.000     5.000     0.000 peak  8196 weight  0.10000E+01 volume  0.52600E+00 ppm1      7.172 ppm2      3.231
 ASSI (
   (( segid "    " and resid 67   and name HN  ))
 )(
   (( segid "    " and resid 67   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6054 weight  0.10000E+01 volume  0.22930E+01 ppm1      8.936 ppm2      3.115
 ASSI (
   (( segid "    " and resid 67   and name HN  ))
 )(
   (( segid "    " and resid 67   and name HB2 ))
 )
      3.300     3.300     0.000 peak  6053 weight  0.10000E+01 volume  0.27390E+01 ppm1      8.935 ppm2      2.988
 ASSI (
   (( segid "    " and resid 67   and name HN  ))
 )(
   (( segid "    " and resid 68   and name HD2 ))
 )
      6.000     6.000     0.000 peak  6057 weight  0.10000E+01 volume  0.20500E+00 ppm1      8.936 ppm2      2.455
 ASSI (
   (( segid "    " and resid 67   and name HN  ))
 )(
   (( segid "    " and resid 82   and name HD13))
  OR 
   (( segid "    " and resid 82   and name HD12))
  OR 
   (( segid "    " and resid 82   and name HD11))
 )
      5.000     5.000     0.000 peak  6047 weight  0.10000E+01 volume  0.59400E+00 ppm1      8.936 ppm2      0.958
 ASSI (
   (( segid "    " and resid 69   and name HN  ))
 )(
   (( segid "    " and resid 67   and name HB2 ))
 )
      6.000     6.000     0.000 peak  6735 weight  0.10000E+01 volume  0.23600E+00 ppm1      9.616 ppm2      2.971
 ASSI (
   (( segid "    " and resid 69   and name HN  ))
 )(
   (( segid "    " and resid 68   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6064 weight  0.10000E+01 volume  0.42800E+00 ppm1      9.614 ppm2      1.670
 ASSI (
   (( segid "    " and resid 69   and name HN  ))
 )(
   (( segid "    " and resid 68   and name HB2 ))
 )
      6.000     6.000     0.000 peak  6739 weight  0.10000E+01 volume  0.28600E+00 ppm1      9.617 ppm2      1.319
 ASSI (
   (( segid "    " and resid 69   and name HN  ))
 )(
   (( segid "    " and resid 68   and name HD2 ))
 )
      5.000     5.000     0.000 peak  6063 weight  0.10000E+01 volume  0.34600E+00 ppm1      9.615 ppm2      2.448
 ASSI (
   (( segid "    " and resid 69   and name HN  ))
 )(
   (( segid "    " and resid 68   and name HG1 ))
 )
      5.000     5.000     0.000 peak  6065 weight  0.10000E+01 volume  0.49300E+00 ppm1      9.614 ppm2      1.494
 ASSI (
   (( segid "    " and resid 69   and name HN  ))
 )(
   (( segid "    " and resid 68   and name HG2 ))
 )
      5.000     5.000     0.000 peak  6066 weight  0.10000E+01 volume  0.36400E+00 ppm1      9.613 ppm2      1.008
 ASSI (
   (( segid "    " and resid 69   and name HN  ))
 )(
   (( segid "    " and resid 69   and name HA1 ))
 )
      3.300     3.300     0.000 peak  6059 weight  0.10000E+01 volume  0.23620E+01 ppm1      9.616 ppm2      4.263
 ASSI (
   (( segid "    " and resid 69   and name HN  ))
 )(
   (( segid "    " and resid 69   and name HA2 ))
 )
      3.300     3.300     0.000 peak  6061 weight  0.10000E+01 volume  0.16810E+01 ppm1      9.616 ppm2      3.735
 ASSI (
   (( segid "    " and resid 69   and name HN  ))
 )(
   (( segid "    " and resid 70   and name HN  ))
 )
      5.000     5.000     0.000 peak  6058 weight  0.10000E+01 volume  0.82100E+00 ppm1      9.616 ppm2      7.761
 ASSI (
   (( segid "    " and resid 70   and name HN  ))
 )(
   (( segid "    " and resid 69   and name HA2 ))
 )
      2.700     2.700     0.000 peak  6072 weight  0.10000E+01 volume  0.30440E+01 ppm1      7.732 ppm2      3.732
 ASSI (
   (( segid "    " and resid 70   and name HN  ))
 )(
   (( segid "    " and resid 70   and name HB2 ))
  OR 
   (( segid "    " and resid 70   and name HB1 ))
 )
      2.700     2.700     0.000 peak  6074 weight  0.10000E+01 volume  0.34900E+01 ppm1      7.731 ppm2      1.779
 ASSI (
   (( segid "    " and resid 70   and name HN  ))
 )(
   (( segid "    " and resid 70   and name HG2 ))
 )
      5.000     5.000     0.000 peak  6076 weight  0.10000E+01 volume  0.52800E+00 ppm1      7.731 ppm2      2.041
 ASSI (
   (( segid "    " and resid 70   and name HN  ))
 )(
   (( segid "    " and resid 71   and name HN  ))
 )
      5.000     5.000     0.000 peak  6069 weight  0.10000E+01 volume  0.32300E+00 ppm1      7.728 ppm2      8.288
 ASSI (
   (( segid "    " and resid 70   and name HN  ))
 )(
   (( segid "    " and resid 119  and name HD13))
  OR 
   (( segid "    " and resid 119  and name HD12))
  OR 
   (( segid "    " and resid 119  and name HD11))
 )
      5.000     5.000     0.000 peak  6077 weight  0.10000E+01 volume  0.31900E+00 ppm1      7.730 ppm2      0.555
 ASSI (
   (( segid "    " and resid 70   and name HN  ))
 )(
   (( segid "    " and resid 119  and name HD23))
  OR 
   (( segid "    " and resid 119  and name HD22))
  OR 
   (( segid "    " and resid 119  and name HD21))
 )
      5.000     5.000     0.000 peak  6742 weight  0.10000E+01 volume  0.36200E+00 ppm1      7.729 ppm2      0.459
 ASSI (
   (( segid "    " and resid 71   and name HN  ))
 )(
   (( segid "    " and resid 70   and name HB2 ))
  OR 
   (( segid "    " and resid 70   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6084 weight  0.10000E+01 volume  0.13850E+01 ppm1      8.286 ppm2      1.790
 ASSI (
   (( segid "    " and resid 71   and name HN  ))
 )(
   (( segid "    " and resid 71   and name HA  ))
 )
      3.300     3.300     0.000 peak  6087 weight  0.10000E+01 volume  0.16510E+01 ppm1      8.287 ppm2      4.300
 ASSI (
   (( segid "    " and resid 71   and name HN  ))
 )(
   (( segid "    " and resid 71   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6082 weight  0.10000E+01 volume  0.17670E+01 ppm1      8.286 ppm2      1.528
 ASSI (
   (( segid "    " and resid 72   and name HN  ))
 )(
   (( segid "    " and resid 71   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6090 weight  0.10000E+01 volume  0.40300E+00 ppm1      8.515 ppm2      0.744
 ASSI (
   (( segid "    " and resid 72   and name HN  ))
 )(
   (( segid "    " and resid 71   and name HG  ))
 )
      5.000     5.000     0.000 peak  6091 weight  0.10000E+01 volume  0.34100E+00 ppm1      8.514 ppm2      1.000
 ASSI (
   (( segid "    " and resid 72   and name HN  ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      5.000     5.000     0.000 peak  6749 weight  0.10000E+01 volume  0.33200E+00 ppm1      8.513 ppm2      8.858
 ASSI (
   (( segid "    " and resid 73   and name HD21))
 )(
   (( segid "    " and resid 73   and name HA  ))
 )
      5.000     5.000     0.000 peak  8745 weight  0.10000E+01 volume  0.40400E+00 ppm1      7.310 ppm2      3.783
 ASSI (
   (( segid "    " and resid 73   and name HD22))
 )(
   (( segid "    " and resid 73   and name HD21))
 )
      2.700     2.700     0.000 peak  8762 weight  0.10000E+01 volume  0.53270E+01 ppm1      6.749 ppm2      7.307
 ASSI (
   (( segid "    " and resid 74   and name HN  ))
 )(
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )
      5.000     5.000     0.000 peak  6105 weight  0.10000E+01 volume  0.54200E+00 ppm1      7.631 ppm2      0.591
 ASSI (
   (( segid "    " and resid 74   and name HN  ))
 )(
   (( segid "    " and resid 71   and name HD23))
  OR 
   (( segid "    " and resid 71   and name HD22))
  OR 
   (( segid "    " and resid 71   and name HD21))
 )
      5.000     5.000     0.000 peak  6762 weight  0.10000E+01 volume  0.38900E+00 ppm1      7.632 ppm2      0.475
 ASSI (
   (( segid "    " and resid 74   and name HN  ))
 )(
   (( segid "    " and resid 73   and name HA  ))
 )
      3.300     3.300     0.000 peak  6109 weight  0.10000E+01 volume  0.21530E+01 ppm1      7.631 ppm2      3.792
 ASSI (
   (( segid "    " and resid 74   and name HN  ))
 )(
   (( segid "    " and resid 73   and name HN  ))
 )
      3.300     3.300     0.000 peak  6116 weight  0.10000E+01 volume  0.19220E+01 ppm1      7.630 ppm2      8.863
 ASSI (
   (( segid "    " and resid 75   and name HN  ))
 )(
   (( segid "    " and resid 71   and name HD13))
  OR 
   (( segid "    " and resid 71   and name HD12))
  OR 
   (( segid "    " and resid 71   and name HD11))
 )
      3.300     3.300     0.000 peak  6117 weight  0.10000E+01 volume  0.17380E+01 ppm1      8.798 ppm2      0.590
 ASSI (
   (( segid "    " and resid 75   and name HN  ))
 )(
   (( segid "    " and resid 74   and name HA1 ))
 )
      3.300     3.300     0.000 peak  6120 weight  0.10000E+01 volume  0.19380E+01 ppm1      8.798 ppm2      4.320
 ASSI (
   (( segid "    " and resid 75   and name HN  ))
 )(
   (( segid "    " and resid 74   and name HA2 ))
 )
      3.300     3.300     0.000 peak  6119 weight  0.10000E+01 volume  0.18930E+01 ppm1      8.798 ppm2      4.102
 ASSI (
   (( segid "    " and resid 75   and name HN  ))
 )(
   (( segid "    " and resid 74   and name HN  ))
 )
      5.000     5.000     0.000 peak  6770 weight  0.10000E+01 volume  0.41600E+00 ppm1      8.799 ppm2      7.630
 ASSI (
   (( segid "    " and resid 75   and name HN  ))
 )(
   (( segid "    " and resid 91   and name HN  ))
 )
      5.000     5.000     0.000 peak  6122 weight  0.10000E+01 volume  0.10520E+01 ppm1      8.797 ppm2      8.251
 ASSI (
   (( segid "    " and resid 75   and name HN  ))
 )(
   (( segid "    " and resid 92   and name HA  ))
 )
      5.000     5.000     0.000 peak  6121 weight  0.10000E+01 volume  0.86600E+00 ppm1      8.798 ppm2      5.246
 ASSI (
   (( segid "    " and resid 76   and name HN  ))
 )(
   (( segid "    " and resid 75   and name HA  ))
 )
      2.700     2.700     0.000 peak  6134 weight  0.10000E+01 volume  0.31850E+01 ppm1      8.340 ppm2      4.722
 ASSI (
   (( segid "    " and resid 76   and name HN  ))
 )(
   (( segid "    " and resid 76   and name HA  ))
 )
      5.000     5.000     0.000 peak  6133 weight  0.10000E+01 volume  0.94800E+00 ppm1      8.340 ppm2      4.303
 ASSI (
   (( segid "    " and resid 77   and name HN  ))
 )(
   (( segid "    " and resid 76   and name HN  ))
 )
      5.000     5.000     0.000 peak  6776 weight  0.10000E+01 volume  0.55400E+00 ppm1      9.247 ppm2      8.341
 ASSI (
   (( segid "    " and resid 77   and name HN  ))
 )(
   (( segid "    " and resid 88   and name HA  ))
 )
      5.000     5.000     0.000 peak  6784 weight  0.10000E+01 volume  0.32200E+00 ppm1      9.247 ppm2      4.710
 ASSI (
   (( segid "    " and resid 77   and name HN  ))
 )(
   (( segid "    " and resid 89   and name HN  ))
 )
      5.000     5.000     0.000 peak  6788 weight  0.10000E+01 volume  0.61600E+00 ppm1      9.247 ppm2      7.816
 ASSI (
   (( segid "    " and resid 77   and name HN  ))
 )(
   (( segid "    " and resid 90   and name HA  ))
 )
      5.000     5.000     0.000 peak  6785 weight  0.10000E+01 volume  0.44800E+00 ppm1      9.248 ppm2      5.400
 ASSI (
   (( segid "    " and resid 77   and name HN  ))
 )(
   (( segid "    " and resid 91   and name HN  ))
 )
      6.000     6.000     0.000 peak  6966 weight  0.10000E+01 volume  0.27600E+00 ppm1      9.245 ppm2      8.236
 ASSI (
   (( segid "    " and resid 78   and name HN  ))
 )(
   (( segid "    " and resid 76   and name HG23))
  OR 
   (( segid "    " and resid 76   and name HG22))
  OR 
   (( segid "    " and resid 76   and name HG21))
 )
      5.000     5.000     0.000 peak  6793 weight  0.10000E+01 volume  0.48300E+00 ppm1      8.513 ppm2      0.495
 ASSI (
   (( segid "    " and resid 79   and name HN  ))
 )(
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      5.000     5.000     0.000 peak  6801 weight  0.10000E+01 volume  0.12230E+01 ppm1      7.860 ppm2      0.680
 ASSI (
   (( segid "    " and resid 79   and name HN  ))
 )(
   (( segid "    " and resid 80   and name HN  ))
 )
      5.000     5.000     0.000 peak  6815 weight  0.10000E+01 volume  0.14610E+01 ppm1      7.858 ppm2      8.958
 ASSI (
   (( segid "    " and resid 79   and name HN  ))
 )(
   (( segid "    " and resid 81   and name HN  ))
 )
      5.000     5.000     0.000 peak  6814 weight  0.10000E+01 volume  0.30200E+00 ppm1      7.858 ppm2      8.734
 ASSI (
   (( segid "    " and resid 80   and name HN  ))
 )(
   (( segid "    " and resid 78   and name HA  ))
 )
      5.000     5.000     0.000 peak  6824 weight  0.10000E+01 volume  0.37400E+00 ppm1      8.964 ppm2      4.039
 ASSI (
   (( segid "    " and resid 80   and name HN  ))
 )(
   (( segid "    " and resid 78   and name HG12))
  OR 
   (( segid "    " and resid 78   and name HG11))
 )
      6.000     6.000     0.000 peak  6821 weight  0.10000E+01 volume  0.21500E+00 ppm1      8.965 ppm2      1.364
 ASSI (
   (( segid "    " and resid 80   and name HN  ))
 )(
   (( segid "    " and resid 81   and name HN  ))
 )
      5.000     5.000     0.000 peak  6829 weight  0.10000E+01 volume  0.81100E+00 ppm1      8.964 ppm2      8.731
 ASSI (
   (( segid "    " and resid 81   and name HN  ))
 )(
   (( segid "    " and resid 78   and name HG23))
  OR 
   (( segid "    " and resid 78   and name HG22))
  OR 
   (( segid "    " and resid 78   and name HG21))
 )
      5.000     5.000     0.000 peak  6831 weight  0.10000E+01 volume  0.61500E+00 ppm1      8.731 ppm2      0.678
 ASSI (
   (( segid "    " and resid 81   and name HN  ))
 )(
   (( segid "    " and resid 82   and name HN  ))
 )
      5.000     5.000     0.000 peak  6865 weight  0.10000E+01 volume  0.63300E+00 ppm1      8.733 ppm2      7.929
 ASSI (
   (( segid "    " and resid 82   and name HN  ))
 )(
   (( segid "    " and resid 81   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6855 weight  0.10000E+01 volume  0.16490E+01 ppm1      7.930 ppm2      3.004
 ASSI (
   (( segid "    " and resid 82   and name HN  ))
 )(
   (( segid "    " and resid 82   and name HA  ))
 )
      5.000     5.000     0.000 peak  6863 weight  0.10000E+01 volume  0.72000E+00 ppm1      7.931 ppm2      4.651
 ASSI (
   (( segid "    " and resid 82   and name HN  ))
 )(
   (( segid "    " and resid 82   and name HB2 ))
 )
      3.300     3.300     0.000 peak  6851 weight  0.10000E+01 volume  0.20690E+01 ppm1      7.930 ppm2      1.656
 ASSI (
   (( segid "    " and resid 83   and name HN  ))
 )(
   (( segid "    " and resid 81   and name HN  ))
 )
      6.000     6.000     0.000 peak  6843 weight  0.10000E+01 volume  0.29800E+00 ppm1      7.910 ppm2      8.732
 ASSI (
   (( segid "    " and resid 83   and name HN  ))
 )(
   (( segid "    " and resid 83   and name HB2 ))
  OR 
   (( segid "    " and resid 83   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6876 weight  0.10000E+01 volume  0.22040E+01 ppm1      7.911 ppm2      3.735
 ASSI (
   (( segid "    " and resid 84   and name HN  ))
 )(
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )
      5.000     5.000     0.000 peak  4861 weight  0.10000E+01 volume  0.50700E+00 ppm1      8.157 ppm2      6.698
 ASSI (
   (( segid "    " and resid 84   and name HN  ))
 )(
   (( segid "    " and resid 113  and name HG13))
  OR 
   (( segid "    " and resid 113  and name HG12))
  OR 
   (( segid "    " and resid 113  and name HG11))
 )
      5.000     5.000     0.000 peak  6884 weight  0.10000E+01 volume  0.30500E+00 ppm1      8.156 ppm2      0.501
 ASSI (
   (( segid "    " and resid 85   and name HN  ))
 )(
   (( segid "    " and resid 84   and name HA  ))
 )
      3.300     3.300     0.000 peak  6906 weight  0.10000E+01 volume  0.19440E+01 ppm1      8.543 ppm2      3.597
 ASSI (
   (( segid "    " and resid 85   and name HN  ))
 )(
   (( segid "    " and resid 84   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6902 weight  0.10000E+01 volume  0.76800E+00 ppm1      8.541 ppm2      2.748
 ASSI (
   (( segid "    " and resid 85   and name HN  ))
 )(
   (( segid "    " and resid 84   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6904 weight  0.10000E+01 volume  0.53500E+00 ppm1      8.541 ppm2      2.486
 ASSI (
   (( segid "    " and resid 85   and name HN  ))
 )(
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )
      5.000     5.000     0.000 peak  6909 weight  0.10000E+01 volume  0.62300E+00 ppm1      8.541 ppm2      6.713
 ASSI (
   (( segid "    " and resid 85   and name HN  ))
 )(
   (( segid "    " and resid 84   and name HN  ))
 )
      5.000     5.000     0.000 peak  6910 weight  0.10000E+01 volume  0.41600E+00 ppm1      8.542 ppm2      8.154
 ASSI (
   (( segid "    " and resid 85   and name HN  ))
 )(
   (( segid "    " and resid 85   and name HA1 ))
 )
      3.300     3.300     0.000 peak  6907 weight  0.10000E+01 volume  0.15670E+01 ppm1      8.541 ppm2      3.877
 ASSI (
   (( segid "    " and resid 85   and name HN  ))
 )(
   (( segid "    " and resid 86   and name HN  ))
 )
      5.000     5.000     0.000 peak  6911 weight  0.10000E+01 volume  0.13700E+01 ppm1      8.544 ppm2      8.334
 ASSI (
   (( segid "    " and resid 86   and name HN  ))
 )(
   (( segid "    " and resid 84   and name HA  ))
 )
      5.000     5.000     0.000 peak  8978 weight  0.10000E+01 volume  0.65200E+00 ppm1      8.330 ppm2      3.603
 ASSI (
   (( segid "    " and resid 87   and name HN  ))
 )(
   (( segid "    " and resid 86   and name HN  ))
 )
      5.000     5.000     0.000 peak  6919 weight  0.10000E+01 volume  0.55400E+00 ppm1      8.713 ppm2      8.324
 ASSI (
   (( segid "    " and resid 87   and name HE21))
 )(
   (( segid "    " and resid 86   and name HB2 ))
  OR 
   (( segid "    " and resid 86   and name HB1 ))
 )
      6.000     6.000     0.000 peak  9032 weight  0.10000E+01 volume  0.16600E+00 ppm1      7.539 ppm2      3.986
 ASSI (
   (( segid "    " and resid 87   and name HE22))
 )(
   (( segid "    " and resid 86   and name HB2 ))
  OR 
   (( segid "    " and resid 86   and name HB1 ))
 )
      6.000     6.000     0.000 peak  9033 weight  0.10000E+01 volume  0.15400E+00 ppm1      6.799 ppm2      3.984
 ASSI (
   (( segid "    " and resid 87   and name HE22))
 )(
   (( segid "    " and resid 87   and name HE21))
 )
      2.700     2.700     0.000 peak  9031 weight  0.10000E+01 volume  0.11636E+02 ppm1      6.801 ppm2      7.544
 ASSI (
   (( segid "    " and resid 87   and name HE21))
 )(
   (( segid "    " and resid 87   and name HG2 ))
 )
      3.300     3.300     0.000 peak  9034 weight  0.10000E+01 volume  0.15050E+01 ppm1      7.538 ppm2      2.155
 ASSI (
   (( segid "    " and resid 88   and name HN  ))
 )(
   (( segid "    " and resid 88   and name HB  ))
 )
      5.000     5.000     0.000 peak  6928 weight  0.10000E+01 volume  0.41000E+00 ppm1      8.806 ppm2      1.146
 ASSI (
   (( segid "    " and resid 88   and name HN  ))
 )(
   (( segid "    " and resid 88   and name HD13))
  OR 
   (( segid "    " and resid 88   and name HD12))
  OR 
   (( segid "    " and resid 88   and name HD11))
 )
      5.000     5.000     0.000 peak  6920 weight  0.10000E+01 volume  0.37600E+00 ppm1      8.806 ppm2     -0.618
 ASSI (
   (( segid "    " and resid 88   and name HN  ))
 )(
   (( segid "    " and resid 88   and name HG12))
 )
      5.000     5.000     0.000 peak  6922 weight  0.10000E+01 volume  0.60200E+00 ppm1      8.806 ppm2      0.238
 ASSI (
   (( segid "    " and resid 88   and name HN  ))
 )(
   (( segid "    " and resid 103  and name HA  ))
 )
      5.000     5.000     0.000 peak  6930 weight  0.10000E+01 volume  0.32500E+00 ppm1      8.808 ppm2      5.046
 ASSI (
   (( segid "    " and resid 88   and name HN  ))
 )(
   (( segid "    " and resid 104  and name HN  ))
 )
      5.000     5.000     0.000 peak  6935 weight  0.10000E+01 volume  0.76800E+00 ppm1      8.806 ppm2      8.034
 ASSI (
   (( segid "    " and resid 90   and name HN  ))
 )(
   (( segid "    " and resid 89   and name HN  ))
 )
      5.000     5.000     0.000 peak  6944 weight  0.10000E+01 volume  0.34500E+00 ppm1      8.379 ppm2      7.803
 ASSI (
   (( segid "    " and resid 90   and name HN  ))
 )(
   (( segid "    " and resid 102  and name HG23))
  OR 
   (( segid "    " and resid 102  and name HG22))
  OR 
   (( segid "    " and resid 102  and name HG21))
 )
      5.000     5.000     0.000 peak  9304 weight  0.10000E+01 volume  0.32500E+00 ppm1      8.374 ppm2      1.337
 ASSI (
   (( segid "    " and resid 91   and name HN  ))
 )(
   (( segid "    " and resid 71   and name HG  ))
 )
      5.000     5.000     0.000 peak  6949 weight  0.10000E+01 volume  0.34300E+00 ppm1      8.245 ppm2      1.002
 ASSI (
   (( segid "    " and resid 91   and name HN  ))
 )(
   (( segid "    " and resid 90   and name HA  ))
 )
      2.700     2.700     0.000 peak  6961 weight  0.10000E+01 volume  0.33850E+01 ppm1      8.247 ppm2      5.402
 ASSI (
   (( segid "    " and resid 91   and name HN  ))
 )(
   (( segid "    " and resid 90   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6955 weight  0.10000E+01 volume  0.81300E+00 ppm1      8.244 ppm2      2.766
 ASSI (
   (( segid "    " and resid 91   and name HN  ))
 )(
   (( segid "    " and resid 90   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6953 weight  0.10000E+01 volume  0.40900E+00 ppm1      8.244 ppm2      2.532
 ASSI (
   (( segid "    " and resid 91   and name HN  ))
 )(
   (( segid "    " and resid 91   and name HA  ))
 )
      5.000     5.000     0.000 peak  6960 weight  0.10000E+01 volume  0.76500E+00 ppm1      8.246 ppm2      4.507
 ASSI (
   (( segid "    " and resid 91   and name HN  ))
 )(
   (( segid "    " and resid 92   and name HN  ))
 )
      5.000     5.000     0.000 peak  6984 weight  0.10000E+01 volume  0.76800E+00 ppm1      8.245 ppm2      8.717
 ASSI (
   (( segid "    " and resid 92   and name HN  ))
 )(
   (( segid "    " and resid 91   and name HA  ))
 )
      3.300     3.300     0.000 peak  6979 weight  0.10000E+01 volume  0.28090E+01 ppm1      8.714 ppm2      4.508
 ASSI (
   (( segid "    " and resid 92   and name HN  ))
 )(
   (( segid "    " and resid 91   and name HB2 ))
  OR 
   (( segid "    " and resid 91   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6976 weight  0.10000E+01 volume  0.24880E+01 ppm1      8.714 ppm2      3.777
 ASSI (
   (( segid "    " and resid 92   and name HN  ))
 )(
   (( segid "    " and resid 98   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6970 weight  0.10000E+01 volume  0.30200E+00 ppm1      8.715 ppm2      1.511
 ASSI (
   (( segid "    " and resid 92   and name HN  ))
 )(
   (( segid "    " and resid 98   and name HB2 ))
 )
      5.000     5.000     0.000 peak  6969 weight  0.10000E+01 volume  0.33100E+00 ppm1      8.714 ppm2      1.390
 ASSI (
   (( segid "    " and resid 93   and name HN  ))
 )(
   (( segid "    " and resid 74   and name HN  ))
 )
      6.000     6.000     0.000 peak  7006 weight  0.10000E+01 volume  0.25100E+00 ppm1      8.885 ppm2      7.629
 ASSI (
   (( segid "    " and resid 93   and name HN  ))
 )(
   (( segid "    " and resid 91   and name HB2 ))
  OR 
   (( segid "    " and resid 91   and name HB1 ))
 )
      5.000     5.000     0.000 peak  6996 weight  0.10000E+01 volume  0.39400E+00 ppm1      8.886 ppm2      3.783
 ASSI (
   (( segid "    " and resid 93   and name HN  ))
 )(
   (( segid "    " and resid 94   and name HN  ))
 )
      5.000     5.000     0.000 peak  7007 weight  0.10000E+01 volume  0.30200E+00 ppm1      8.887 ppm2      8.427
 ASSI (
   (( segid "    " and resid 95   and name HN  ))
 )(
   (( segid "    " and resid 94   and name HN  ))
 )
      5.000     5.000     0.000 peak  7029 weight  0.10000E+01 volume  0.39500E+00 ppm1      8.876 ppm2      8.429
 ASSI (
   (( segid "    " and resid 96   and name HN  ))
 )(
   (( segid "    " and resid 95   and name HA1 ))
 )
      3.300     3.300     0.000 peak  7038 weight  0.10000E+01 volume  0.19710E+01 ppm1      8.166 ppm2      4.152
 ASSI (
   (( segid "    " and resid 96   and name HN  ))
 )(
   (( segid "    " and resid 95   and name HN  ))
 )
      3.300     3.300     0.000 peak  7028 weight  0.10000E+01 volume  0.17880E+01 ppm1      8.165 ppm2      8.876
 ASSI (
   (( segid "    " and resid 96   and name HN  ))
 )(
   (( segid "    " and resid 96   and name HE2 ))
  OR 
   (( segid "    " and resid 96   and name HE1 ))
 )
      6.000     6.000     0.000 peak  7043 weight  0.10000E+01 volume  0.26000E+00 ppm1      8.166 ppm2      7.128
 ASSI (
   (( segid "    " and resid 96   and name HN  ))
 )(
   (( segid "    " and resid 125  and name HN  ))
 )
      5.000     5.000     0.000 peak  7044 weight  0.10000E+01 volume  0.67200E+00 ppm1      8.166 ppm2      7.821
 ASSI (
   (( segid "    " and resid 97   and name HN  ))
 )(
   (( segid "    " and resid 96   and name HA  ))
 )
      3.300     3.300     0.000 peak  7061 weight  0.10000E+01 volume  0.19890E+01 ppm1      9.710 ppm2      5.071
 ASSI (
   (( segid "    " and resid 97   and name HN  ))
 )(
   (( segid "    " and resid 96   and name HB1 ))
 )
      5.000     5.000     0.000 peak  7057 weight  0.10000E+01 volume  0.64500E+00 ppm1      9.708 ppm2      3.216
 ASSI (
   (( segid "    " and resid 97   and name HN  ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7065 weight  0.10000E+01 volume  0.44100E+00 ppm1      9.708 ppm2      6.714
 ASSI (
   (( segid "    " and resid 97   and name HN  ))
 )(
   (( segid "    " and resid 96   and name HN  ))
 )
      5.000     5.000     0.000 peak  7047 weight  0.10000E+01 volume  0.38800E+00 ppm1      9.710 ppm2      8.168
 ASSI (
   (( segid "    " and resid 97   and name HN  ))
 )(
   (( segid "    " and resid 98   and name HN  ))
 )
      5.000     5.000     0.000 peak  7067 weight  0.10000E+01 volume  0.91900E+00 ppm1      9.716 ppm2      7.998
 ASSI (
   (( segid "    " and resid 97   and name HN  ))
 )(
   (( segid "    " and resid 125  and name HD23))
  OR 
   (( segid "    " and resid 125  and name HD22))
  OR 
   (( segid "    " and resid 125  and name HD21))
 )
      5.000     5.000     0.000 peak  7048 weight  0.10000E+01 volume  0.36400E+00 ppm1      9.709 ppm2      0.648
 ASSI (
   (( segid "    " and resid 98   and name HN  ))
 )(
   (( segid "    " and resid 98   and name HA  ))
 )
      5.000     5.000     0.000 peak  7085 weight  0.10000E+01 volume  0.52400E+00 ppm1      8.002 ppm2      4.545
 ASSI (
   (( segid "    " and resid 99   and name HN  ))
 )(
   (( segid "    " and resid 98   and name HA  ))
 )
      3.300     3.300     0.000 peak  7107 weight  0.10000E+01 volume  0.15400E+01 ppm1      9.124 ppm2      4.551
 ASSI (
   (( segid "    " and resid 99   and name HN  ))
 )(
   (( segid "    " and resid 99   and name HB  ))
 )
      3.300     3.300     0.000 peak  7101 weight  0.10000E+01 volume  0.15440E+01 ppm1      9.122 ppm2      1.718
 ASSI (
   (( segid "    " and resid 99   and name HN  ))
 )(
   (( segid "    " and resid 121  and name HN  ))
 )
      5.000     5.000     0.000 peak  7111 weight  0.10000E+01 volume  0.77200E+00 ppm1      9.125 ppm2      7.961
 ASSI (
   (( segid "    " and resid 100  and name HN  ))
 )(
   (( segid "    " and resid 99   and name HN  ))
 )
      5.000     5.000     0.000 peak  7114 weight  0.10000E+01 volume  0.31800E+00 ppm1      8.436 ppm2      9.121
 ASSI (
   (( segid "    " and resid 100  and name HN  ))
 )(
   (( segid "    " and resid 100  and name HA2 ))
 )
      3.300     3.300     0.000 peak  7121 weight  0.10000E+01 volume  0.20170E+01 ppm1      8.437 ppm2      3.594
 ASSI (
   (( segid "    " and resid 100  and name HN  ))
 )(
   (( segid "    " and resid 101  and name HN  ))
 )
      5.000     5.000     0.000 peak  7126 weight  0.10000E+01 volume  0.58800E+00 ppm1      8.438 ppm2      8.149
 ASSI (
   (( segid "    " and resid 102  and name HN  ))
 )(
   (( segid "    " and resid 98   and name HD13))
  OR 
   (( segid "    " and resid 98   and name HD12))
  OR 
   (( segid "    " and resid 98   and name HD11))
 )
      5.000     5.000     0.000 peak  7130 weight  0.10000E+01 volume  0.38500E+00 ppm1      8.209 ppm2      0.642
 ASSI (
   (( segid "    " and resid 102  and name HN  ))
 )(
   (( segid "    " and resid 101  and name HA  ))
 )
      2.700     2.700     0.000 peak  7139 weight  0.10000E+01 volume  0.38180E+01 ppm1      8.208 ppm2      4.465
 ASSI (
   (( segid "    " and resid 102  and name HN  ))
 )(
   (( segid "    " and resid 101  and name HB1 ))
 )
      5.000     5.000     0.000 peak  7136 weight  0.10000E+01 volume  0.93700E+00 ppm1      8.209 ppm2      3.785
 ASSI (
   (( segid "    " and resid 102  and name HN  ))
 )(
   (( segid "    " and resid 102  and name HG23))
  OR 
   (( segid "    " and resid 102  and name HG22))
  OR 
   (( segid "    " and resid 102  and name HG21))
 )
      3.300     3.300     0.000 peak  7132 weight  0.10000E+01 volume  0.18500E+01 ppm1      8.210 ppm2      1.322
 ASSI (
   (( segid "    " and resid 102  and name HN  ))
 )(
   (( segid "    " and resid 103  and name HN  ))
 )
      3.300     3.300     0.000 peak  7142 weight  0.10000E+01 volume  0.24210E+01 ppm1      8.207 ppm2      7.557
 ASSI (
   (( segid "    " and resid 103  and name HN  ))
 )(
   (( segid "    " and resid 101  and name HA  ))
 )
      5.000     5.000     0.000 peak  7157 weight  0.10000E+01 volume  0.95100E+00 ppm1      7.558 ppm2      4.453
 ASSI (
   (( segid "    " and resid 103  and name HN  ))
 )(
   (( segid "    " and resid 102  and name HG23))
  OR 
   (( segid "    " and resid 102  and name HG22))
  OR 
   (( segid "    " and resid 102  and name HG21))
 )
      5.000     5.000     0.000 peak  7146 weight  0.10000E+01 volume  0.43800E+00 ppm1      7.556 ppm2      1.324
 ASSI (
   (( segid "    " and resid 103  and name HN  ))
 )(
   (( segid "    " and resid 104  and name HN  ))
 )
      5.000     5.000     0.000 peak  7163 weight  0.10000E+01 volume  0.62900E+00 ppm1      7.558 ppm2      8.037
 ASSI (
   (( segid "    " and resid 104  and name HN  ))
 )(
   (( segid "    " and resid 87   and name HA  ))
 )
      5.000     5.000     0.000 peak  7182 weight  0.10000E+01 volume  0.47500E+00 ppm1      8.039 ppm2      5.567
 ASSI (
   (( segid "    " and resid 104  and name HN  ))
 )(
   (( segid "    " and resid 88   and name HG12))
 )
      5.000     5.000     0.000 peak  7167 weight  0.10000E+01 volume  0.40300E+00 ppm1      8.041 ppm2      0.238
 ASSI (
   (( segid "    " and resid 104  and name HN  ))
 )(
   (( segid "    " and resid 103  and name HB  ))
 )
      3.300     3.300     0.000 peak  7176 weight  0.10000E+01 volume  0.18330E+01 ppm1      8.040 ppm2      3.983
 ASSI (
   (( segid "    " and resid 104  and name HN  ))
 )(
   (( segid "    " and resid 104  and name HB2 ))
 )
      5.000     5.000     0.000 peak  7175 weight  0.10000E+01 volume  0.53400E+00 ppm1      8.040 ppm2      3.455
 ASSI (
   (( segid "    " and resid 104  and name HN  ))
 )(
   (( segid "    " and resid 105  and name HN  ))
 )
      5.000     5.000     0.000 peak  7184 weight  0.10000E+01 volume  0.31000E+00 ppm1      8.039 ppm2      8.996
 ASSI (
   (( segid "    " and resid 105  and name HN  ))
 )(
   (( segid "    " and resid 104  and name HA  ))
 )
      3.300     3.300     0.000 peak  7195 weight  0.10000E+01 volume  0.15070E+01 ppm1      9.006 ppm2      4.537
 ASSI (
   (( segid "    " and resid 105  and name HN  ))
 )(
   (( segid "    " and resid 104  and name HB1 ))
 )
      5.000     5.000     0.000 peak  7194 weight  0.10000E+01 volume  0.75500E+00 ppm1      9.005 ppm2      3.879
 ASSI (
   (( segid "    " and resid 105  and name HN  ))
 )(
   (( segid "    " and resid 104  and name HB2 ))
 )
      5.000     5.000     0.000 peak  7191 weight  0.10000E+01 volume  0.40800E+00 ppm1      9.006 ppm2      3.460
 ASSI (
   (( segid "    " and resid 105  and name HN  ))
 )(
   (( segid "    " and resid 105  and name HA  ))
 )
      5.000     5.000     0.000 peak  7197 weight  0.10000E+01 volume  0.44000E+00 ppm1      9.006 ppm2      5.605
 ASSI (
   (( segid "    " and resid 105  and name HN  ))
 )(
   (( segid "    " and resid 116  and name HN  ))
 )
      5.000     5.000     0.000 peak  7202 weight  0.10000E+01 volume  0.56000E+00 ppm1      9.005 ppm2      9.716
 ASSI (
   (( segid "    " and resid 105  and name HN  ))
 )(
   (( segid "    " and resid 117  and name HN  ))
 )
      5.000     5.000     0.000 peak  7200 weight  0.10000E+01 volume  0.42800E+00 ppm1      9.005 ppm2      7.973
 ASSI (
   (( segid "    " and resid 105  and name HE  ))
 )(
   (( segid "    " and resid 105  and name HD2 ))
  OR 
   (( segid "    " and resid 105  and name HD1 ))
 )
      5.000     5.000     0.000 peak  8195 weight  0.10000E+01 volume  0.10930E+01 ppm1      7.018 ppm2      3.079
 ASSI (
   (( segid "    " and resid 106  and name HN  ))
 )(
   (( segid "    " and resid 105  and name HA  ))
 )
      3.300     3.300     0.000 peak  9325 weight  0.10000E+01 volume  0.26770E+01 ppm1      8.365 ppm2      5.611
 ASSI (
   (( segid "    " and resid 107  and name HN  ))
 )(
   (( segid "    " and resid 106  and name HB2 ))
 )
      5.000     5.000     0.000 peak  7204 weight  0.10000E+01 volume  0.36700E+00 ppm1      9.097 ppm2      1.626
 ASSI (
   (( segid "    " and resid 107  and name HN  ))
 )(
   (( segid "    " and resid 108  and name HN  ))
 )
      5.000     5.000     0.000 peak  7218 weight  0.10000E+01 volume  0.37600E+00 ppm1      9.101 ppm2      8.359
 ASSI (
   (( segid "    " and resid 107  and name HN  ))
 )(
   (( segid "    " and resid 113  and name HA  ))
 )
      6.000     6.000     0.000 peak  7216 weight  0.10000E+01 volume  0.14800E+00 ppm1      9.100 ppm2      5.160
 ASSI (
   (( segid "    " and resid 107  and name HN  ))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      5.000     5.000     0.000 peak  7220 weight  0.10000E+01 volume  0.60700E+00 ppm1      9.100 ppm2      8.870
 ASSI (
   (( segid "    " and resid 108  and name HN  ))
 )(
   (( segid "    " and resid 84   and name HD2 ))
  OR 
   (( segid "    " and resid 84   and name HD1 ))
 )
      5.000     5.000     0.000 peak  7233 weight  0.10000E+01 volume  0.30000E+00 ppm1      8.355 ppm2      6.699
 ASSI (
   (( segid "    " and resid 108  and name HN  ))
 )(
   (( segid "    " and resid 84   and name HE2 ))
  OR 
   (( segid "    " and resid 84   and name HE1 ))
 )
      5.000     5.000     0.000 peak  7234 weight  0.10000E+01 volume  0.11230E+01 ppm1      8.354 ppm2      7.334
 ASSI (
   (( segid "    " and resid 109  and name HN  ))
 )(
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )
      3.300     3.300     0.000 peak  7239 weight  0.10000E+01 volume  0.15770E+01 ppm1      8.045 ppm2      0.780
 ASSI (
   (( segid "    " and resid 109  and name HN  ))
 )(
   (( segid "    " and resid 109  and name HA  ))
 )
      5.000     5.000     0.000 peak  7246 weight  0.10000E+01 volume  0.70200E+00 ppm1      8.045 ppm2      4.416
 ASSI (
   (( segid "    " and resid 109  and name HN  ))
 )(
   (( segid "    " and resid 112  and name HN  ))
 )
      5.000     5.000     0.000 peak  7250 weight  0.10000E+01 volume  0.43900E+00 ppm1      8.045 ppm2      7.725
 ASSI (
   (( segid "    " and resid 109  and name HE22))
 )(
   (( segid "    " and resid 116  and name HA  ))
 )
      5.000     5.000     0.000 peak  9512 weight  0.10000E+01 volume  0.39800E+00 ppm1      6.124 ppm2      3.965
 ASSI (
   (( segid "    " and resid 110  and name HN  ))
 )(
   (( segid "    " and resid 108  and name HG23))
  OR 
   (( segid "    " and resid 108  and name HG22))
  OR 
   (( segid "    " and resid 108  and name HG21))
 )
      5.000     5.000     0.000 peak  7253 weight  0.10000E+01 volume  0.50200E+00 ppm1      8.780 ppm2      0.785
 ASSI (
   (( segid "    " and resid 110  and name HN  ))
 )(
   (( segid "    " and resid 111  and name HN  ))
 )
      5.000     5.000     0.000 peak  7268 weight  0.10000E+01 volume  0.76300E+00 ppm1      8.781 ppm2      8.097
 ASSI (
   (( segid "    " and resid 110  and name HN  ))
 )(
   (( segid "    " and resid 112  and name HN  ))
 )
      6.000     6.000     0.000 peak  7266 weight  0.10000E+01 volume  0.22400E+00 ppm1      8.781 ppm2      7.726
 ASSI (
   (( segid "    " and resid 111  and name HN  ))
 )(
   (( segid "    " and resid 111  and name HD2 ))
  OR 
   (( segid "    " and resid 111  and name HD1 ))
 )
      5.000     5.000     0.000 peak  7275 weight  0.10000E+01 volume  0.50600E+00 ppm1      8.100 ppm2      3.108
 ASSI (
   (( segid "    " and resid 111  and name HN  ))
 )(
   (( segid "    " and resid 112  and name HN  ))
 )
      3.300     3.300     0.000 peak  7279 weight  0.10000E+01 volume  0.19180E+01 ppm1      8.101 ppm2      7.726
 ASSI (
   (( segid "    " and resid 112  and name HN  ))
 )(
   (( segid "    " and resid 112  and name HA1 ))
 )
      3.300     3.300     0.000 peak  9445 weight  0.10000E+01 volume  0.23070E+01 ppm1      7.732 ppm2      4.018
 ASSI (
   (( segid "    " and resid 112  and name HN  ))
 )(
   (( segid "    " and resid 112  and name HA2 ))
 )
      3.300     3.300     0.000 peak  7291 weight  0.10000E+01 volume  0.22430E+01 ppm1      7.732 ppm2      3.930
 ASSI (
   (( segid "    " and resid 114  and name HN  ))
 )(
   (( segid "    " and resid 109  and name HG2 ))
  OR 
   (( segid "    " and resid 109  and name HG1 ))
 )
      5.000     5.000     0.000 peak  7296 weight  0.10000E+01 volume  0.67600E+00 ppm1      8.868 ppm2      2.141
 ASSI (
   (( segid "    " and resid 115  and name HN  ))
 )(
   (( segid "    " and resid 114  and name HA2 ))
 )
      3.300     3.300     0.000 peak  7306 weight  0.10000E+01 volume  0.25150E+01 ppm1      8.015 ppm2      3.697
 ASSI (
   (( segid "    " and resid 115  and name HN  ))
 )(
   (( segid "    " and resid 114  and name HN  ))
 )
      5.000     5.000     0.000 peak  6664 weight  0.10000E+01 volume  0.46400E+00 ppm1      8.017 ppm2      8.861
 ASSI (
   (( segid "    " and resid 115  and name HN  ))
 )(
   (( segid "    " and resid 115  and name HB2 ))
 )
      3.300     3.300     0.000 peak  7303 weight  0.10000E+01 volume  0.19120E+01 ppm1      8.016 ppm2      2.787
 ASSI (
   (( segid "    " and resid 115  and name HN  ))
 )(
   (( segid "    " and resid 116  and name HN  ))
 )
      6.000     6.000     0.000 peak  6672 weight  0.10000E+01 volume  0.24200E+00 ppm1      8.016 ppm2      9.719
 ASSI (
   (( segid "    " and resid 115  and name HE1 ))
 )(
   (( segid "    " and resid 65   and name HA  ))
 )
      5.000     5.000     0.000 peak  6689 weight  0.10000E+01 volume  0.42200E+00 ppm1     10.496 ppm2      4.110
 ASSI (
   (( segid "    " and resid 115  and name HE1 ))
 )(
   (( segid "    " and resid 65   and name HB1 ))
 )
      3.300     3.300     0.000 peak  6658 weight  0.10000E+01 volume  0.16640E+01 ppm1     10.496 ppm2      2.373
 ASSI (
   (( segid "    " and resid 115  and name HE1 ))
 )(
   (( segid "    " and resid 66   and name HA  ))
 )
      5.000     5.000     0.000 peak  8589 weight  0.10000E+01 volume  0.78300E+00 ppm1     10.496 ppm2      4.258
 ASSI (
   (( segid "    " and resid 115  and name HE1 ))
 )(
   (( segid "    " and resid 82   and name HD23))
  OR 
   (( segid "    " and resid 82   and name HD22))
  OR 
   (( segid "    " and resid 82   and name HD21))
 )
      5.000     5.000     0.000 peak  6687 weight  0.10000E+01 volume  0.31500E+00 ppm1     10.495 ppm2      0.874
 ASSI (
   (( segid "    " and resid 115  and name HE1 ))
 )(
   (( segid "    " and resid 115  and name HD1 ))
 )
      3.300     3.300     0.000 peak  6659 weight  0.10000E+01 volume  0.18760E+01 ppm1     10.497 ppm2      7.268
 ASSI (
   (( segid "    " and resid 115  and name HE1 ))
 )(
   (( segid "    " and resid 115  and name HZ2 ))
 )
      3.300     3.300     0.000 peak  6720 weight  0.10000E+01 volume  0.18200E+01 ppm1     10.497 ppm2      7.157
 ASSI (
   (( segid "    " and resid 116  and name HN  ))
 )(
   (( segid "    " and resid 107  and name HN  ))
 )
      5.000     5.000     0.000 peak  7223 weight  0.10000E+01 volume  0.11440E+01 ppm1      9.716 ppm2      9.099
 ASSI (
   (( segid "    " and resid 117  and name HN  ))
 )(
   (( segid "    " and resid 115  and name HE3 ))
 )
      6.000     6.000     0.000 peak  7321 weight  0.10000E+01 volume  0.25000E+00 ppm1      7.968 ppm2      7.304
 ASSI (
   (( segid "    " and resid 117  and name HN  ))
 )(
   (( segid "    " and resid 117  and name HA  ))
 )
      5.000     5.000     0.000 peak  7317 weight  0.10000E+01 volume  0.61600E+00 ppm1      7.967 ppm2      5.336
 ASSI (
   (( segid "    " and resid 119  and name HN  ))
 )(
   (( segid "    " and resid 118  and name HA  ))
 )
      3.300     3.300     0.000 peak  5313 weight  0.10000E+01 volume  0.19270E+01 ppm1      7.862 ppm2      4.555
 ASSI (
   (( segid "    " and resid 119  and name HN  ))
 )(
   (( segid "    " and resid 118  and name HG2 ))
 )
      5.000     5.000     0.000 peak  7328 weight  0.10000E+01 volume  0.56600E+00 ppm1      7.863 ppm2      1.815
 ASSI (
   (( segid "    " and resid 121  and name HN  ))
 )(
   (( segid "    " and resid 121  and name HB2 ))
 )
      3.300     3.300     0.000 peak  7341 weight  0.10000E+01 volume  0.17540E+01 ppm1      7.953 ppm2      1.778
 ASSI (
   (( segid "    " and resid 121  and name HN  ))
 )(
   (( segid "    " and resid 122  and name HN  ))
 )
      5.000     5.000     0.000 peak  7347 weight  0.10000E+01 volume  0.38400E+00 ppm1      7.953 ppm2      8.772
 ASSI (
   (( segid "    " and resid 121  and name HE21))
 )(
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG1 ))
 )
      5.000     5.000     0.000 peak  9633 weight  0.10000E+01 volume  0.60100E+00 ppm1      7.338 ppm2      2.183
 ASSI (
   (( segid "    " and resid 121  and name HE22))
 )(
   (( segid "    " and resid 121  and name HG2 ))
  OR 
   (( segid "    " and resid 121  and name HG1 ))
 )
      5.000     5.000     0.000 peak  9635 weight  0.10000E+01 volume  0.34800E+00 ppm1      6.617 ppm2      2.185
 ASSI (
   (( segid "    " and resid 122  and name HN  ))
 )(
   (( segid "    " and resid 122  and name HA  ))
 )
      5.000     5.000     0.000 peak  7360 weight  0.10000E+01 volume  0.70500E+00 ppm1      8.770 ppm2      5.265
 ASSI (
   (( segid "    " and resid 122  and name HN  ))
 )(
   (( segid "    " and resid 122  and name HB1 ))
 )
      5.000     5.000     0.000 peak  7358 weight  0.10000E+01 volume  0.11140E+01 ppm1      8.770 ppm2      2.751
 ASSI (
   (( segid "    " and resid 122  and name HN  ))
 )(
   (( segid "    " and resid 123  and name HN  ))
 )
      5.000     5.000     0.000 peak  7362 weight  0.10000E+01 volume  0.38800E+00 ppm1      8.770 ppm2      9.085
 ASSI (
   (( segid "    " and resid 124  and name HN  ))
 )(
   (( segid "    " and resid 96   and name HD2 ))
  OR 
   (( segid "    " and resid 96   and name HD1 ))
 )
      5.000     5.000     0.000 peak  9198 weight  0.10000E+01 volume  0.36900E+00 ppm1      8.657 ppm2      6.703
      
      
      !CSI DIHEDRAL RESTRAINTS
      
      
! 0 COIL
! 1 COIL
! 2 COIL
! 3 COIL
! 4 COIL
! 5 COIL
! 6 COIL
! 7 COIL
! 8 COIL
! 9 COIL
! 10 SHEET
	assi ( resid 9 and name C ) ( resid 10 and name N )
		( resid 10 and name CA ) ( resid 10 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 10 and name N ) ( resid 10 and name CA )
		( resid 10 and name C ) ( resid 11 and name N ) 1.0 130.0 30.0 2

! 11 SHEET
	assi ( resid 10 and name C ) ( resid 11 and name N )
		( resid 11 and name CA ) ( resid 11 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 11 and name N ) ( resid 11 and name CA )
		( resid 11 and name C ) ( resid 12 and name N ) 1.0 130.0 30.0 2

! 12 SHEET
	assi ( resid 11 and name C ) ( resid 12 and name N )
		( resid 12 and name CA ) ( resid 12 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 12 and name N ) ( resid 12 and name CA )
		( resid 12 and name C ) ( resid 13 and name N ) 1.0 130.0 30.0 2

! 13 COIL
! 14 COIL
! 15 COIL
! 16 COIL
! 17 COIL
! 18 COIL
! 19 COIL
! 20 SHEET
	assi ( resid 19 and name C ) ( resid 20 and name N )
		( resid 20 and name CA ) ( resid 20 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 20 and name N ) ( resid 20 and name CA )
		( resid 20 and name C ) ( resid 21 and name N ) 1.0 130.0 30.0 2

! 21 SHEET
	assi ( resid 20 and name C ) ( resid 21 and name N )
		( resid 21 and name CA ) ( resid 21 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 21 and name N ) ( resid 21 and name CA )
		( resid 21 and name C ) ( resid 22 and name N ) 1.0 130.0 30.0 2

! 22 SHEET
	assi ( resid 21 and name C ) ( resid 22 and name N )
		( resid 22 and name CA ) ( resid 22 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 22 and name N ) ( resid 22 and name CA )
		( resid 22 and name C ) ( resid 23 and name N ) 1.0 130.0 30.0 2

! 23 SHEET
	assi ( resid 22 and name C ) ( resid 23 and name N )
		( resid 23 and name CA ) ( resid 23 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 23 and name N ) ( resid 23 and name CA )
		( resid 23 and name C ) ( resid 24 and name N ) 1.0 130.0 30.0 2

! 24 COIL
! 25 COIL
! 26 COIL
! 27 COIL
! 28 SHEET
	assi ( resid 27 and name C ) ( resid 28 and name N )
		( resid 28 and name CA ) ( resid 28 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 28 and name N ) ( resid 28 and name CA )
		( resid 28 and name C ) ( resid 29 and name N ) 1.0 130.0 30.0 2

! 29 SHEET
	assi ( resid 28 and name C ) ( resid 29 and name N )
		( resid 29 and name CA ) ( resid 29 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 29 and name N ) ( resid 29 and name CA )
		( resid 29 and name C ) ( resid 30 and name N ) 1.0 130.0 30.0 2

! 30 SHEET
	assi ( resid 29 and name C ) ( resid 30 and name N )
		( resid 30 and name CA ) ( resid 30 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 30 and name N ) ( resid 30 and name CA )
		( resid 30 and name C ) ( resid 31 and name N ) 1.0 130.0 30.0 2

! 31 SHEET
	assi ( resid 30 and name C ) ( resid 31 and name N )
		( resid 31 and name CA ) ( resid 31 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 31 and name N ) ( resid 31 and name CA )
		( resid 31 and name C ) ( resid 32 and name N ) 1.0 130.0 30.0 2

! 32 SHEET
	assi ( resid 31 and name C ) ( resid 32 and name N )
		( resid 32 and name CA ) ( resid 32 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 32 and name N ) ( resid 32 and name CA )
		( resid 32 and name C ) ( resid 33 and name N ) 1.0 130.0 30.0 2

! 33 SHEET
	assi ( resid 32 and name C ) ( resid 33 and name N )
		( resid 33 and name CA ) ( resid 33 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 33 and name N ) ( resid 33 and name CA )
		( resid 33 and name C ) ( resid 34 and name N ) 1.0 130.0 30.0 2

! 34 SHEET
	assi ( resid 33 and name C ) ( resid 34 and name N )
		( resid 34 and name CA ) ( resid 34 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 34 and name N ) ( resid 34 and name CA )
		( resid 34 and name C ) ( resid 35 and name N ) 1.0 130.0 30.0 2

! 35 COIL
! 36 COIL
! 37 COIL
! 38 COIL
! 39 COIL
! 40 COIL
! 41 COIL
! 42 COIL
! 43 COIL
! 44 COIL
! 45 SHEET
	assi ( resid 44 and name C ) ( resid 45 and name N )
		( resid 45 and name CA ) ( resid 45 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 45 and name N ) ( resid 45 and name CA )
		( resid 45 and name C ) ( resid 46 and name N ) 1.0 130.0 30.0 2

! 46 SHEET
	assi ( resid 45 and name C ) ( resid 46 and name N )
		( resid 46 and name CA ) ( resid 46 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 46 and name N ) ( resid 46 and name CA )
		( resid 46 and name C ) ( resid 47 and name N ) 1.0 130.0 30.0 2

! 47 SHEET
	assi ( resid 46 and name C ) ( resid 47 and name N )
		( resid 47 and name CA ) ( resid 47 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 47 and name N ) ( resid 47 and name CA )
		( resid 47 and name C ) ( resid 48 and name N ) 1.0 130.0 30.0 2

! 48 COIL
! 49 COIL
! 50 COIL
! 51 COIL
! 52 COIL
! 53 SHEET
	assi ( resid 52 and name C ) ( resid 53 and name N )
		( resid 53 and name CA ) ( resid 53 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 53 and name N ) ( resid 53 and name CA )
		( resid 53 and name C ) ( resid 54 and name N ) 1.0 130.0 30.0 2

! 54 SHEET
	assi ( resid 53 and name C ) ( resid 54 and name N )
		( resid 54 and name CA ) ( resid 54 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 54 and name N ) ( resid 54 and name CA )
		( resid 54 and name C ) ( resid 55 and name N ) 1.0 130.0 30.0 2

! 55 SHEET
	assi ( resid 54 and name C ) ( resid 55 and name N )
		( resid 55 and name CA ) ( resid 55 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 55 and name N ) ( resid 55 and name CA )
		( resid 55 and name C ) ( resid 56 and name N ) 1.0 130.0 30.0 2

! 56 SHEET
	assi ( resid 55 and name C ) ( resid 56 and name N )
		( resid 56 and name CA ) ( resid 56 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 56 and name N ) ( resid 56 and name CA )
		( resid 56 and name C ) ( resid 57 and name N ) 1.0 130.0 30.0 2

! 57 SHEET
	assi ( resid 56 and name C ) ( resid 57 and name N )
		( resid 57 and name CA ) ( resid 57 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 57 and name N ) ( resid 57 and name CA )
		( resid 57 and name C ) ( resid 58 and name N ) 1.0 130.0 30.0 2

! 58 COIL
! 59 COIL
! 60 COIL
! 61 COIL
! 62 COIL
! 63 COIL
! 64 COIL
! 65 COIL
! 66 COIL
! 67 COIL
! 68 COIL
! 69 COIL
! 70 COIL
! 71 COIL
! 72 COIL
! 73 COIL
! 74 SHEET
	assi ( resid 73 and name C ) ( resid 74 and name N )
		( resid 74 and name CA ) ( resid 74 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 74 and name N ) ( resid 74 and name CA )
		( resid 74 and name C ) ( resid 75 and name N ) 1.0 130.0 30.0 2

! 75 SHEET
	assi ( resid 74 and name C ) ( resid 75 and name N )
		( resid 75 and name CA ) ( resid 75 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 75 and name N ) ( resid 75 and name CA )
		( resid 75 and name C ) ( resid 76 and name N ) 1.0 130.0 30.0 2

! 76 SHEET
	assi ( resid 75 and name C ) ( resid 76 and name N )
		( resid 76 and name CA ) ( resid 76 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 76 and name N ) ( resid 76 and name CA )
		( resid 76 and name C ) ( resid 77 and name N ) 1.0 130.0 30.0 2

! 77 SHEET
	assi ( resid 76 and name C ) ( resid 77 and name N )
		( resid 77 and name CA ) ( resid 77 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 77 and name N ) ( resid 77 and name CA )
		( resid 77 and name C ) ( resid 78 and name N ) 1.0 130.0 30.0 2

! 78 SHEET
	assi ( resid 77 and name C ) ( resid 78 and name N )
		( resid 78 and name CA ) ( resid 78 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 78 and name N ) ( resid 78 and name CA )
		( resid 78 and name C ) ( resid 79 and name N ) 1.0 130.0 30.0 2

! 79 COIL
! 80 COIL
! 81 COIL
! 82 COIL
! 83 COIL
! 84 COIL
! 85 COIL
! 86 COIL
! 87 SHEET
	assi ( resid 86 and name C ) ( resid 87 and name N )
		( resid 87 and name CA ) ( resid 87 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 87 and name N ) ( resid 87 and name CA )
		( resid 87 and name C ) ( resid 88 and name N ) 1.0 130.0 30.0 2

! 88 SHEET
	assi ( resid 87 and name C ) ( resid 88 and name N )
		( resid 88 and name CA ) ( resid 88 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 88 and name N ) ( resid 88 and name CA )
		( resid 88 and name C ) ( resid 89 and name N ) 1.0 130.0 30.0 2

! 89 SHEET
	assi ( resid 88 and name C ) ( resid 89 and name N )
		( resid 89 and name CA ) ( resid 89 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 89 and name N ) ( resid 89 and name CA )
		( resid 89 and name C ) ( resid 90 and name N ) 1.0 130.0 30.0 2

! 90 SHEET
	assi ( resid 89 and name C ) ( resid 90 and name N )
		( resid 90 and name CA ) ( resid 90 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 90 and name N ) ( resid 90 and name CA )
		( resid 90 and name C ) ( resid 91 and name N ) 1.0 130.0 30.0 2

! 91 SHEET
	assi ( resid 90 and name C ) ( resid 91 and name N )
		( resid 91 and name CA ) ( resid 91 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 91 and name N ) ( resid 91 and name CA )
		( resid 91 and name C ) ( resid 92 and name N ) 1.0 130.0 30.0 2

! 92 SHEET
	assi ( resid 91 and name C ) ( resid 92 and name N )
		( resid 92 and name CA ) ( resid 92 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 92 and name N ) ( resid 92 and name CA )
		( resid 92 and name C ) ( resid 93 and name N ) 1.0 130.0 30.0 2

! 93 COIL
! 94 COIL
! 95 COIL
! 96 SHEET
	assi ( resid 95 and name C ) ( resid 96 and name N )
		( resid 96 and name CA ) ( resid 96 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 96 and name N ) ( resid 96 and name CA )
		( resid 96 and name C ) ( resid 97 and name N ) 1.0 130.0 30.0 2

! 97 SHEET
	assi ( resid 96 and name C ) ( resid 97 and name N )
		( resid 97 and name CA ) ( resid 97 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 97 and name N ) ( resid 97 and name CA )
		( resid 97 and name C ) ( resid 98 and name N ) 1.0 130.0 30.0 2

! 98 SHEET
	assi ( resid 97 and name C ) ( resid 98 and name N )
		( resid 98 and name CA ) ( resid 98 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 98 and name N ) ( resid 98 and name CA )
		( resid 98 and name C ) ( resid 99 and name N ) 1.0 130.0 30.0 2

! 99 SHEET
	assi ( resid 98 and name C ) ( resid 99 and name N )
		( resid 99 and name CA ) ( resid 99 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 99 and name N ) ( resid 99 and name CA )
		( resid 99 and name C ) ( resid 100 and name N ) 1.0 130.0 30.0 2

! 100 COIL
! 101 COIL
! 102 COIL
! 103 COIL
! 104 SHEET
	assi ( resid 103 and name C ) ( resid 104 and name N )
		( resid 104 and name CA ) ( resid 104 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 104 and name N ) ( resid 104 and name CA )
		( resid 104 and name C ) ( resid 105 and name N ) 1.0 130.0 30.0 2

! 105 SHEET
	assi ( resid 104 and name C ) ( resid 105 and name N )
		( resid 105 and name CA ) ( resid 105 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 105 and name N ) ( resid 105 and name CA )
		( resid 105 and name C ) ( resid 106 and name N ) 1.0 130.0 30.0 2

! 106 COIL
! 107 COIL
! 108 COIL
! 109 COIL
! 110 COIL
! 111 COIL
! 112 COIL
! 113 COIL
! 114 COIL
! 115 COIL
! 116 COIL
! 117 COIL
! 118 COIL
! 119 COIL
! 120 COIL
! 121 COIL
! 122 COIL
! 123 SHEET
	assi ( resid 122 and name C ) ( resid 123 and name N )
		( resid 123 and name CA ) ( resid 123 and name C ) 1.0 -120.0 30.0 2

	assi ( resid 123 and name N ) ( resid 123 and name CA )
		( resid 123 and name C ) ( resid 124 and name N ) 1.0 130.0 30.0 2

! 124 COIL
! 125 COIL
! 126 COIL
! 127 COIL
! 128 COIL
! 129 COIL
! 130 COIL
! 131 COIL
! 132 COIL



!RDC RESTRAINTS

{*** Experiment - NH: IPAP NH-HSQC, J+D=-102.986, J=-92.666, D(unscaled)=-10.320 ***}
assign (resid 2 and name N) (resid 2 and name HN) -10.320   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-91.516, J=-92.756, D(unscaled)=1.239 ***}
assign (resid 3 and name N) (resid 3 and name HN) 1.239   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-107.506, J=-92.349, D(unscaled)=-15.157 ***}
assign (resid 7 and name N) (resid 7 and name HN) -15.157   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-96.210, J=-93.566, D(unscaled)=-2.644 ***}
assign (resid 8 and name N) (resid 8 and name HN) -2.644   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-89.484, J=-92.955, D(unscaled)=3.471 ***}
assign (resid 9 and name N) (resid 9 and name HN) 3.471   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-109.263, J=-92.979, D(unscaled)=-16.284 ***}
assign (resid 11 and name N) (resid 11 and name HN) -16.284   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-108.868, J=-93.037, D(unscaled)=-15.831 ***}
assign (resid 12 and name N) (resid 12 and name HN) -15.831   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-94.679, J=-92.492, D(unscaled)=-2.187 ***}
assign (resid 22 and name N) (resid 22 and name HN) -2.187   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-98.029, J=-92.876, D(unscaled)=-5.153 ***}
assign (resid 23 and name N) (resid 23 and name HN) -5.153   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-93.392, J=-93.114, D(unscaled)=-0.278 ***}
assign (resid 26 and name N) (resid 26 and name HN) -0.278   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-101.240, J=-93.424, D(unscaled)=-7.816 ***}
assign (resid 27 and name N) (resid 27 and name HN) -7.816   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-95.724, J=-93.639, D(unscaled)=-2.085 ***}
assign (resid 29 and name N) (resid 29 and name HN) -2.085   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-111.903, J=-92.402, D(unscaled)=-19.502 ***}
assign (resid 32 and name N) (resid 32 and name HN) -19.502   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-91.420, J=-94.333, D(unscaled)=2.913 ***}
assign (resid 34 and name N) (resid 34 and name HN) 2.913   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-107.295, J=-92.816, D(unscaled)=-14.480 ***}
assign (resid 36 and name N) (resid 36 and name HN) -14.480   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-90.936, J=-93.454, D(unscaled)=2.518 ***}
assign (resid 37 and name N) (resid 37 and name HN) 2.518   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-94.683, J=-92.237, D(unscaled)=-2.446 ***}
assign (resid 38 and name N) (resid 38 and name HN) -2.446   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-92.818, J=-92.269, D(unscaled)=-0.549 ***}
assign (resid 46 and name N) (resid 46 and name HN) -0.549   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-101.401, J=-96.182, D(unscaled)=-5.219 ***}
assign (resid 49 and name N) (resid 49 and name HN) -5.219   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-86.915, J=-92.764, D(unscaled)=5.849 ***}
assign (resid 51 and name N) (resid 51 and name HN) 5.849   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-110.214, J=-94.192, D(unscaled)=-16.022 ***}
assign (resid 52 and name N) (resid 52 and name HN) -16.022   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-99.410, J=-93.453, D(unscaled)=-5.957 ***}
assign (resid 53 and name N) (resid 53 and name HN) -5.957   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-93.354, J=-93.559, D(unscaled)=0.205 ***}
assign (resid 55 and name N) (resid 55 and name HN) 0.205   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-100.442, J=-93.578, D(unscaled)=-6.863 ***}
assign (resid 56 and name N) (resid 56 and name HN) -6.863   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-105.524, J=-93.936, D(unscaled)=-11.589 ***}
assign (resid 63 and name N) (resid 63 and name HN) -11.589   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-113.837, J=-92.565, D(unscaled)=-21.272 ***}
assign (resid 64 and name N) (resid 64 and name HN) -21.272   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-109.367, J=-94.182, D(unscaled)=-15.185 ***}
assign (resid 67 and name N) (resid 67 and name HN) -15.185   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-84.274, J=-93.081, D(unscaled)=8.807 ***}
assign (resid 69 and name N) (resid 69 and name HN) 8.807   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-111.101, J=-92.540, D(unscaled)=-18.561 ***}
assign (resid 70 and name N) (resid 70 and name HN) -18.561   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-88.397, J=-92.721, D(unscaled)=4.323 ***}
assign (resid 71 and name N) (resid 71 and name HN) 4.323   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-89.675, J=-94.585, D(unscaled)=4.910 ***}
assign (resid 72 and name N) (resid 72 and name HN) 4.910   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-109.233, J=-93.366, D(unscaled)=-15.867 ***}
assign (resid 73 and name N) (resid 73 and name HN) -15.867   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-110.753, J=-93.252, D(unscaled)=-17.500 ***}
assign (resid 74 and name N) (resid 74 and name HN) -17.500   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-111.303, J=-92.745, D(unscaled)=-18.558 ***}
assign (resid 75 and name N) (resid 75 and name HN) -18.558   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-107.813, J=-92.266, D(unscaled)=-15.547 ***}
assign (resid 76 and name N) (resid 76 and name HN) -15.547   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-100.238, J=-93.721, D(unscaled)=-6.517 ***}
assign (resid 77 and name N) (resid 77 and name HN) -6.517   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-89.749, J=-92.736, D(unscaled)=2.987 ***}
assign (resid 80 and name N) (resid 80 and name HN) 2.987   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-99.402, J=-91.451, D(unscaled)=-7.951 ***}
assign (resid 82 and name N) (resid 82 and name HN) -7.951   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-95.349, J=-93.356, D(unscaled)=-1.993 ***}
assign (resid 83 and name N) (resid 83 and name HN) -1.993   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-87.005, J=-93.810, D(unscaled)=6.806 ***}
assign (resid 85 and name N) (resid 85 and name HN) 6.806   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-90.084, J=-92.494, D(unscaled)=2.410 ***}
assign (resid 87 and name N) (resid 87 and name HN) 2.410   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-90.481, J=-92.731, D(unscaled)=2.250 ***}
assign (resid 88 and name N) (resid 88 and name HN) 2.250   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-116.603, J=-94.108, D(unscaled)=-22.495 ***}
assign (resid 91 and name N) (resid 91 and name HN) -22.495   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-117.790, J=-93.183, D(unscaled)=-24.607 ***}
assign (resid 92 and name N) (resid 92 and name HN) -24.607   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-111.541, J=-93.968, D(unscaled)=-17.573 ***}
assign (resid 93 and name N) (resid 93 and name HN) -17.573   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-113.934, J=-92.856, D(unscaled)=-21.078 ***}
assign (resid 95 and name N) (resid 95 and name HN) -21.078   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-86.230, J=-93.476, D(unscaled)=7.246 ***}
assign (resid 96 and name N) (resid 96 and name HN) 7.246   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-110.309, J=-93.305, D(unscaled)=-17.003 ***}
assign (resid 98 and name N) (resid 98 and name HN) -17.003   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-115.767, J=-93.404, D(unscaled)=-22.363 ***}
assign (resid 99 and name N) (resid 99 and name HN) -22.363   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-112.465, J=-92.465, D(unscaled)=-20.000 ***}
assign (resid 102 and name N) (resid 102 and name HN) -20.000   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-91.012, J=-92.403, D(unscaled)=1.391 ***}
assign (resid 103 and name N) (resid 103 and name HN) 1.391   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-88.398, J=-93.744, D(unscaled)=5.346 ***}
assign (resid 104 and name N) (resid 104 and name HN) 5.346   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-87.221, J=-93.746, D(unscaled)=6.524 ***}
assign (resid 105 and name N) (resid 105 and name HN) 6.524   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-95.391, J=-95.653, D(unscaled)=0.262 ***}
assign (resid 107 and name N) (resid 107 and name HN) 0.262   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-115.857, J=-91.733, D(unscaled)=-24.124 ***}
assign (resid 108 and name N) (resid 108 and name HN) -24.124   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-101.760, J=-92.633, D(unscaled)=-9.127 ***}
assign (resid 109 and name N) (resid 109 and name HN) -9.127   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-113.822, J=-94.007, D(unscaled)=-19.816 ***}
assign (resid 114 and name N) (resid 114 and name HN) -19.816   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-109.902, J=-93.333, D(unscaled)=-16.568 ***}
assign (resid 115 and name N) (resid 115 and name HN) -16.568   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-115.367, J=-91.783, D(unscaled)=-23.584 ***}
assign (resid 121 and name N) (resid 121 and name HN) -23.584   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-118.299, J=-92.658, D(unscaled)=-25.640 ***}
assign (resid 122 and name N) (resid 122 and name HN) -25.640   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-114.340, J=-93.992, D(unscaled)=-20.348 ***}
assign (resid 123 and name N) (resid 123 and name HN) -20.348   2

{*** Experiment - NH: IPAP NH-HSQC, J+D=-109.684, J=-93.313, D(unscaled)=-16.371 ***}
assign (resid 124 and name N) (resid 124 and name HN) -16.371   2

{*** NC coupling from resno 3, J+D=-16.168, J=-15.504, D(unscaled)=-0.665 ***}
assign (resid 3 and name N) (resid 2 and name C) -5.537 6.401

{*** NC coupling from resno 7, J+D=-14.259, J=-14.324, D(unscaled)=0.065 ***}
assign (resid 7 and name N) (resid 6 and name C) 0.543 6.401

{*** NC coupling from resno 8, J+D=-16.637, J=-15.372, D(unscaled)=-1.265 ***}
assign (resid 8 and name N) (resid 7 and name C) -10.540 6.401

{*** NC coupling from resno 9, J+D=-13.178, J=-12.753, D(unscaled)=-0.425 ***}
assign (resid 9 and name N) (resid 8 and name C) -3.538 6.401

{*** NC coupling from resno 11, J+D=-15.335, J=-15.700, D(unscaled)=0.365 ***}
assign (resid 11 and name N) (resid 10 and name C) 3.040 6.401

{*** NC coupling from resno 12, J+D=-17.427, J=-16.091, D(unscaled)=-1.336 ***}
assign (resid 12 and name N) (resid 11 and name C) -11.127 6.401

{*** NC coupling from resno 14, J+D=-15.808, J=-14.427, D(unscaled)=-1.380 ***}
assign (resid 14 and name N) (resid 13 and name C) -11.499 6.401

{*** NC coupling from resno 22, J+D=-16.349, J=-15.870, D(unscaled)=-0.478 ***}
assign (resid 22 and name N) (resid 21 and name C) -3.984 6.401

{*** NC coupling from resno 23, J+D=-15.333, J=-14.678, D(unscaled)=-0.655 ***}
assign (resid 23 and name N) (resid 22 and name C) -5.454 6.401

{*** NC coupling from resno 26, J+D=-15.818, J=-15.440, D(unscaled)=-0.379 ***}
assign (resid 26 and name N) (resid 25 and name C) -3.154 6.401

{*** NC coupling from resno 27, J+D=-18.120, J=-16.311, D(unscaled)=-1.809 ***}
assign (resid 27 and name N) (resid 26 and name C) -15.067 6.401

{*** NC coupling from resno 29, J+D=-14.953, J=-14.676, D(unscaled)=-0.277 ***}
assign (resid 29 and name N) (resid 28 and name C) -2.308 6.401

{*** NC coupling from resno 32, J+D=-13.568, J=-15.099, D(unscaled)=1.532 ***}
assign (resid 32 and name N) (resid 31 and name C) 12.758 6.401

{*** NC coupling from resno 34, J+D=-18.812, J=-15.658, D(unscaled)=-3.154 ***}
assign (resid 34 and name N) (resid 33 and name C) -26.273 6.401

{*** NC coupling from resno 36, J+D=-15.645, J=-14.114, D(unscaled)=-1.532 ***}
assign (resid 36 and name N) (resid 35 and name C) -12.758 6.401

{*** NC coupling from resno 37, J+D=-15.281, J=-16.454, D(unscaled)=1.173 ***}
assign (resid 37 and name N) (resid 36 and name C) 9.770 6.401

{*** NC coupling from resno 38, J+D=-16.079, J=-14.438, D(unscaled)=-1.641 ***}
assign (resid 38 and name N) (resid 37 and name C) -13.670 6.401

{*** NC coupling from resno 46, J+D=-15.386, J=-14.975, D(unscaled)=-0.412 ***}
assign (resid 46 and name N) (resid 45 and name C) -3.429 6.401

{*** NC coupling from resno 49, J+D=-16.687, J=-15.801, D(unscaled)=-0.885 ***}
assign (resid 49 and name N) (resid 48 and name C) -7.375 6.401

{*** NC coupling from resno 51, J+D=-16.122, J=-16.303, D(unscaled)=0.181 ***}
assign (resid 51 and name N) (resid 50 and name C) 1.506 6.401

{*** NC coupling from resno 52, J+D=-16.609, J=-16.180, D(unscaled)=-0.429 ***}
assign (resid 52 and name N) (resid 51 and name C) -3.573 6.401

{*** NC coupling from resno 53, J+D=-17.736, J=-16.933, D(unscaled)=-0.804 ***}
assign (resid 53 and name N) (resid 52 and name C) -6.695 6.401

{*** NC coupling from resno 55, J+D=-16.059, J=-14.491, D(unscaled)=-1.568 ***}
assign (resid 55 and name N) (resid 54 and name C) -13.062 6.401

{*** NC coupling from resno 56, J+D=-14.147, J=-15.431, D(unscaled)=1.284 ***}
assign (resid 56 and name N) (resid 55 and name C) 10.697 6.401

{*** NC coupling from resno 57, J+D=-16.564, J=-16.094, D(unscaled)=-0.470 ***}
assign (resid 57 and name N) (resid 56 and name C) -3.914 6.401

{*** NC coupling from resno 58, J+D=-12.539, J=-14.322, D(unscaled)=1.783 ***}
assign (resid 58 and name N) (resid 57 and name C) 14.853 6.401

{*** NC coupling from resno 63, J+D=-13.785, J=-15.488, D(unscaled)=1.703 ***}
assign (resid 63 and name N) (resid 62 and name C) 14.185 6.401

{*** NC coupling from resno 64, J+D=-14.591, J=-14.965, D(unscaled)=0.374 ***}
assign (resid 64 and name N) (resid 63 and name C) 3.117 6.401

{*** NC coupling from resno 67, J+D=-14.477, J=-14.172, D(unscaled)=-0.305 ***}
assign (resid 67 and name N) (resid 66 and name C) -2.544 6.401

{*** NC coupling from resno 69, J+D=-16.657, J=-16.354, D(unscaled)=-0.303 ***}
assign (resid 69 and name N) (resid 68 and name C) -2.522 6.401

{*** NC coupling from resno 70, J+D=-14.551, J=-14.794, D(unscaled)=0.243 ***}
assign (resid 70 and name N) (resid 69 and name C) 2.020 6.401

{*** NC coupling from resno 71, J+D=-16.159, J=-14.538, D(unscaled)=-1.621 ***}
assign (resid 71 and name N) (resid 70 and name C) -13.507 6.401

{*** NC coupling from resno 72, J+D=-13.315, J=-13.419, D(unscaled)=0.105 ***}
assign (resid 72 and name N) (resid 71 and name C) 0.871 6.401

{*** NC coupling from resno 73, J+D=-13.542, J=-14.242, D(unscaled)=0.699 ***}
assign (resid 73 and name N) (resid 72 and name C) 5.825 6.401

{*** NC coupling from resno 74, J+D=-15.451, J=-17.218, D(unscaled)=1.767 ***}
assign (resid 74 and name N) (resid 73 and name C) 14.719 6.401

{*** NC coupling from resno 75, J+D=-16.520, J=-16.353, D(unscaled)=-0.166 ***}
assign (resid 75 and name N) (resid 74 and name C) -1.386 6.401

{*** NC coupling from resno 76, J+D=-14.338, J=-14.474, D(unscaled)=0.135 ***}
assign (resid 76 and name N) (resid 75 and name C) 1.126 6.401

{*** NC coupling from resno 77, J+D=-17.117, J=-14.221, D(unscaled)=-2.896 ***}
assign (resid 77 and name N) (resid 76 and name C) -24.125 6.401

{*** NC coupling from resno 80, J+D=-15.557, J=-15.141, D(unscaled)=-0.416 ***}
assign (resid 80 and name N) (resid 79 and name C) -3.463 6.401

{*** NC coupling from resno 82, J+D=-18.149, J=-15.850, D(unscaled)=-2.299 ***}
assign (resid 82 and name N) (resid 81 and name C) -19.150 6.401

{*** NC coupling from resno 83, J+D=-15.565, J=-15.242, D(unscaled)=-0.323 ***}
assign (resid 83 and name N) (resid 82 and name C) -2.692 6.401

{*** NC coupling from resno 84, J+D=-14.020, J=-14.832, D(unscaled)=0.812 ***}
assign (resid 84 and name N) (resid 83 and name C) 6.764 6.401

{*** NC coupling from resno 85, J+D=-16.326, J=-15.353, D(unscaled)=-0.974 ***}
assign (resid 85 and name N) (resid 84 and name C) -8.110 6.401

{*** NC coupling from resno 87, J+D=-14.868, J=-15.146, D(unscaled)=0.279 ***}
assign (resid 87 and name N) (resid 86 and name C) 2.321 6.401

{*** NC coupling from resno 88, J+D=-14.436, J=-15.015, D(unscaled)=0.579 ***}
assign (resid 88 and name N) (resid 87 and name C) 4.821 6.401

{*** NC coupling from resno 91, J+D=-14.287, J=-14.826, D(unscaled)=0.540 ***}
assign (resid 91 and name N) (resid 90 and name C) 4.495 6.401

{*** NC coupling from resno 92, J+D=-15.570, J=-15.917, D(unscaled)=0.347 ***}
assign (resid 92 and name N) (resid 91 and name C) 2.893 6.401

{*** NC coupling from resno 93, J+D=-17.838, J=-15.632, D(unscaled)=-2.206 ***}
assign (resid 93 and name N) (resid 92 and name C) -18.374 6.401

{*** NC coupling from resno 95, J+D=-15.638, J=-14.931, D(unscaled)=-0.707 ***}
assign (resid 95 and name N) (resid 94 and name C) -5.885 6.401

{*** NC coupling from resno 96, J+D=-15.904, J=-17.453, D(unscaled)=1.549 ***}
assign (resid 96 and name N) (resid 95 and name C) 12.900 6.401

{*** NC coupling from resno 98, J+D=-13.574, J=-14.348, D(unscaled)=0.774 ***}
assign (resid 98 and name N) (resid 97 and name C) 6.448 6.401

{*** NC coupling from resno 99, J+D=-14.638, J=-14.462, D(unscaled)=-0.176 ***}
assign (resid 99 and name N) (resid 98 and name C) -1.465 6.401

{*** NC coupling from resno 102, J+D=-15.034, J=-13.872, D(unscaled)=-1.161 ***}
assign (resid 102 and name N) (resid 101 and name C) -9.673 6.401

{*** NC coupling from resno 103, J+D=-14.970, J=-16.535, D(unscaled)=1.565 ***}
assign (resid 103 and name N) (resid 102 and name C) 13.035 6.401

{*** NC coupling from resno 104, J+D=-14.460, J=-15.655, D(unscaled)=1.196 ***}
assign (resid 104 and name N) (resid 103 and name C) 9.959 6.401

{*** NC coupling from resno 105, J+D=-14.505, J=-16.136, D(unscaled)=1.631 ***}
assign (resid 105 and name N) (resid 104 and name C) 13.586 6.401

{*** NC coupling from resno 107, J+D=-15.909, J=-15.778, D(unscaled)=-0.131 ***}
assign (resid 107 and name N) (resid 106 and name C) -1.088 6.401

{*** NC coupling from resno 108, J+D=-12.499, J=-14.354, D(unscaled)=1.856 ***}
assign (resid 108 and name N) (resid 107 and name C) 15.458 6.401

{*** NC coupling from resno 109, J+D=-17.797, J=-15.016, D(unscaled)=-2.780 ***}
assign (resid 109 and name N) (resid 108 and name C) -23.160 6.401

{*** NC coupling from resno 114, J+D=-18.994, J=-16.206, D(unscaled)=-2.789 ***}
assign (resid 114 and name N) (resid 113 and name C) -23.231 6.401

{*** NC coupling from resno 115, J+D=-14.350, J=-16.621, D(unscaled)=2.271 ***}
assign (resid 115 and name N) (resid 114 and name C) 18.921 6.401

{*** NC coupling from resno 121, J+D=-13.695, J=-14.298, D(unscaled)=0.604 ***}
assign (resid 121 and name N) (resid 120 and name C) 5.030 6.401

{*** NC coupling from resno 122, J+D=-15.624, J=-14.583, D(unscaled)=-1.041 ***}
assign (resid 122 and name N) (resid 121 and name C) -8.672 6.401

{*** NC coupling from resno 123, J+D=-15.979, J=-14.414, D(unscaled)=-1.565 ***}
assign (resid 123 and name N) (resid 122 and name C) -13.040 6.401

{*** NC coupling from resno 124, J+D=-13.086, J=-14.744, D(unscaled)=1.658 ***}
assign (resid 124 and name N) (resid 123 and name C) 13.813 6.401

{*** Experiment - CH: HN(CAHA-J), J+D=164.436, J=144.208, D(unscaled)=20.228 ***}
assign (resid 7 and name CA) (resid 7 and name HA) -10.094  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=130.299, J=140.362, D(unscaled)=-10.064 ***}
assign (resid 11 and name CA) (resid 11 and name HA) 5.022  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=143.570, J=141.819, D(unscaled)=1.751 ***}
assign (resid 22 and name CA) (resid 22 and name HA) -0.874  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=155.420, J=141.343, D(unscaled)=14.077 ***}
assign (resid 24 and name CA) (resid 24 and name HA) -7.024  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=166.395, J=145.117, D(unscaled)=21.278 ***}
assign (resid 28 and name CA) (resid 28 and name HA) -10.618  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=161.929, J=143.545, D(unscaled)=18.385 ***}
assign (resid 48 and name CA) (resid 48 and name HA) -9.174  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=124.637, J=139.998, D(unscaled)=-15.361 ***}
assign (resid 51 and name CA) (resid 51 and name HA) 7.665  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=151.975, J=145.352, D(unscaled)=6.623 ***}
assign (resid 54 and name CA) (resid 54 and name HA) -3.305  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=150.382, J=138.934, D(unscaled)=11.449 ***}
assign (resid 55 and name CA) (resid 55 and name HA) -5.713  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=166.966, J=141.852, D(unscaled)=25.114 ***}
assign (resid 56 and name CA) (resid 56 and name HA) -12.532  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=143.630, J=142.894, D(unscaled)=0.736 ***}
assign (resid 62 and name CA) (resid 62 and name HA) -0.367  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=143.543, J=142.741, D(unscaled)=0.802 ***}
assign (resid 66 and name CA) (resid 66 and name HA) -0.400  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=144.324, J=144.310, D(unscaled)=0.015 ***}
assign (resid 68 and name CA) (resid 68 and name HA) -0.007  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=154.097, J=140.981, D(unscaled)=13.116 ***}
assign (resid 70 and name CA) (resid 70 and name HA) -6.545  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=135.880, J=141.536, D(unscaled)=-5.657 ***}
assign (resid 72 and name CA) (resid 72 and name HA) 2.823  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=124.886, J=135.507, D(unscaled)=-10.621 ***}
assign (resid 73 and name CA) (resid 73 and name HA) 5.300  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=167.568, J=142.045, D(unscaled)=25.523 ***}
assign (resid 76 and name CA) (resid 76 and name HA) -12.736  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=135.108, J=135.402, D(unscaled)=-0.294 ***}
assign (resid 81 and name CA) (resid 81 and name HA) 0.147  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=188.881, J=140.794, D(unscaled)=48.087 ***}
assign (resid 92 and name CA) (resid 92 and name HA) -23.995  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=189.487, J=142.820, D(unscaled)=46.667 ***}
assign (resid 94 and name CA) (resid 94 and name HA) -23.287  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=129.946, J=143.930, D(unscaled)=-13.984 ***}
assign (resid 96 and name CA) (resid 96 and name HA) 6.978  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=155.382, J=148.613, D(unscaled)=6.769 ***}
assign (resid 106 and name CA) (resid 106 and name HA) -3.378  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=173.095, J=140.144, D(unscaled)=32.951 ***}
assign (resid 113 and name CA) (resid 113 and name HA) -16.442  3.11

{*** Experiment - CH: HN(CAHA-J), J+D=181.306, J=141.024, D(unscaled)=40.282 ***}
assign (resid 123 and name CA) (resid 123 and name HA) -20.101  3.11

{*** CC coupling from resno 3, J+D=52.608, J=50.141, D(unscaled)=2.467 ***}
assign (resid 2 and name CA) (resid 2 and name C) -12.458  6.97

{*** CC coupling from resno 7, J+D=51.012, J=52.682, D(unscaled)=-1.670 ***}
assign (resid 6 and name CA) (resid 6 and name C) 8.432  6.97

{*** CC coupling from resno 8, J+D=52.568, J=52.241, D(unscaled)=0.327 ***}
assign (resid 7 and name CA) (resid 7 and name C) -1.651  6.97

{*** CC coupling from resno 12, J+D=55.890, J=53.041, D(unscaled)=2.849 ***}
assign (resid 11 and name CA) (resid 11 and name C) -14.387  6.97

{*** CC coupling from resno 14, J+D=55.177, J=54.067, D(unscaled)=1.109 ***}
assign (resid 13 and name CA) (resid 13 and name C) -5.601  6.97

{*** CC coupling from resno 15, J+D=52.269, J=53.083, D(unscaled)=-0.814 ***}
assign (resid 14 and name CA) (resid 14 and name C) 4.110  6.97

{*** CC coupling from resno 23, J+D=57.257, J=52.447, D(unscaled)=4.811 ***}
assign (resid 22 and name CA) (resid 22 and name C) -24.293  6.97

{*** CC coupling from resno 25, J+D=52.398, J=52.814, D(unscaled)=-0.415 ***}
assign (resid 24 and name CA) (resid 24 and name C) 2.098  6.97

{*** CC coupling from resno 29, J+D=49.622, J=53.239, D(unscaled)=-3.617 ***}
assign (resid 28 and name CA) (resid 28 and name C) 18.265  6.97

{*** CC coupling from resno 34, J+D=45.295, J=52.058, D(unscaled)=-6.763 ***}
assign (resid 33 and name CA) (resid 33 and name C) 34.151  6.97

{*** CC coupling from resno 39, J+D=49.281, J=52.301, D(unscaled)=-3.020 ***}
assign (resid 38 and name CA) (resid 38 and name C) 15.251  6.97

{*** CC coupling from resno 47, J+D=50.750, J=53.990, D(unscaled)=-3.239 ***}
assign (resid 46 and name CA) (resid 46 and name C) 16.359  6.97

{*** CC coupling from resno 49, J+D=55.587, J=54.986, D(unscaled)=0.601 ***}
assign (resid 48 and name CA) (resid 48 and name C) -3.033  6.97

{*** CC coupling from resno 51, J+D=55.027, J=52.786, D(unscaled)=2.241 ***}
assign (resid 50 and name CA) (resid 50 and name C) -11.316  6.97

{*** CC coupling from resno 52, J+D=55.624, J=53.224, D(unscaled)=2.400 ***}
assign (resid 51 and name CA) (resid 51 and name C) -12.122  6.97

{*** CC coupling from resno 53, J+D=51.221, J=53.616, D(unscaled)=-2.395 ***}
assign (resid 52 and name CA) (resid 52 and name C) 12.095  6.97

{*** CC coupling from resno 55, J+D=49.454, J=51.150, D(unscaled)=-1.696 ***}
assign (resid 54 and name CA) (resid 54 and name C) 8.565  6.97

{*** CC coupling from resno 56, J+D=53.186, J=53.848, D(unscaled)=-0.662 ***}
assign (resid 55 and name CA) (resid 55 and name C) 3.345  6.97

{*** CC coupling from resno 57, J+D=48.508, J=52.985, D(unscaled)=-4.476 ***}
assign (resid 56 and name CA) (resid 56 and name C) 22.605  6.97

{*** CC coupling from resno 67, J+D=49.200, J=51.429, D(unscaled)=-2.229 ***}
assign (resid 66 and name CA) (resid 66 and name C) 11.255  6.97

{*** CC coupling from resno 69, J+D=54.377, J=54.165, D(unscaled)=0.213 ***}
assign (resid 68 and name CA) (resid 68 and name C) -1.074  6.97

{*** CC coupling from resno 70, J+D=50.830, J=52.155, D(unscaled)=-1.325 ***}
assign (resid 69 and name CA) (resid 69 and name C) 6.692  6.97

{*** CC coupling from resno 71, J+D=53.865, J=52.830, D(unscaled)=1.035 ***}
assign (resid 70 and name CA) (resid 70 and name C) -5.226  6.97

{*** CC coupling from resno 72, J+D=50.002, J=52.647, D(unscaled)=-2.644 ***}
assign (resid 71 and name CA) (resid 71 and name C) 13.354  6.97

{*** CC coupling from resno 73, J+D=55.256, J=52.972, D(unscaled)=2.284 ***}
assign (resid 72 and name CA) (resid 72 and name C) -11.533  6.97

{*** CC coupling from resno 74, J+D=54.690, J=54.327, D(unscaled)=0.363 ***}
assign (resid 73 and name CA) (resid 73 and name C) -1.835  6.97

{*** CC coupling from resno 77, J+D=52.261, J=53.340, D(unscaled)=-1.080 ***}
assign (resid 76 and name CA) (resid 76 and name C) 5.452  6.97

{*** CC coupling from resno 82, J+D=51.576, J=53.271, D(unscaled)=-1.695 ***}
assign (resid 81 and name CA) (resid 81 and name C) 8.561  6.97

{*** CC coupling from resno 83, J+D=46.049, J=53.554, D(unscaled)=-7.505 ***}
assign (resid 82 and name CA) (resid 82 and name C) 37.899  6.97

{*** CC coupling from resno 93, J+D=49.649, J=51.904, D(unscaled)=-2.256 ***}
assign (resid 92 and name CA) (resid 92 and name C) 11.390  6.97

{*** CC coupling from resno 95, J+D=51.935, J=52.831, D(unscaled)=-0.896 ***}
assign (resid 94 and name CA) (resid 94 and name C) 4.526  6.97

{*** CC coupling from resno 96, J+D=50.004, J=52.286, D(unscaled)=-2.281 ***}
assign (resid 95 and name CA) (resid 95 and name C) 11.521  6.97

{*** CC coupling from resno 98, J+D=51.235, J=52.944, D(unscaled)=-1.709 ***}
assign (resid 97 and name CA) (resid 97 and name C) 8.631  6.97

{*** CC coupling from resno 100, J+D=53.804, J=53.091, D(unscaled)=0.714 ***}
assign (resid 99 and name CA) (resid 99 and name C) -3.605  6.97

{*** CC coupling from resno 103, J+D=49.353, J=54.096, D(unscaled)=-4.743 ***}
assign (resid 102 and name CA) (resid 102 and name C) 23.954  6.97

{*** CC coupling from resno 104, J+D=56.174, J=52.972, D(unscaled)=3.202 ***}
assign (resid 103 and name CA) (resid 103 and name C) -16.169  6.97

{*** CC coupling from resno 107, J+D=51.422, J=54.577, D(unscaled)=-3.154 ***}
assign (resid 106 and name CA) (resid 106 and name C) 15.930  6.97

{*** CC coupling from resno 109, J+D=51.462, J=53.290, D(unscaled)=-1.828 ***}
assign (resid 108 and name CA) (resid 108 and name C) 9.234  6.97

{*** CC coupling from resno 115, J+D=49.655, J=51.502, D(unscaled)=-1.847 ***}
assign (resid 114 and name CA) (resid 114 and name C) 9.329  6.97

{*** CC coupling from resno 123, J+D=48.771, J=52.817, D(unscaled)=-4.046 ***}
assign (resid 122 and name CA) (resid 122 and name C) 20.433  6.97

{*** CC coupling from resno 124, J+D=52.688, J=52.715, D(unscaled)=-0.027 ***}
assign (resid 123 and name CA) (resid 123 and name C) 0.134  6.97



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   0           HT1      MET   0  35.839   0.217  -1.564
    2   2H    MET   0           HT2      MET   0  36.873  -1.121  -1.629
    3   3H    MET   0           HT3      MET   0  35.788  -0.954  -0.342
    4    HA   MET   0           HA       MET   0  35.049  -1.364  -3.181
    5   1HB   MET   0          HB2       MET   0  34.826  -3.254  -0.831
    6   2HB   MET   0          HB1       MET   0  34.332  -3.589  -2.484
    7   1HG   MET   0          HG2       MET   0  36.657  -3.402  -3.215
    8   2HG   MET   0          HG1       MET   0  37.148  -3.079  -1.554
    9   1HE   MET   0          HE1       MET   0  35.744  -5.790  -4.065
   10   2HE   MET   0          HE2       MET   0  34.438  -5.547  -2.905
   11   3HE   MET   0          HE3       MET   0  35.312  -7.079  -2.941
   12    H    ASN   1           HN       ASN   1  33.146  -0.494  -3.623
   13    HA   ASN   1           HA       ASN   1  31.188  -0.191  -1.438
   14   1HB   ASN   1          HB2       ASN   1  32.029   1.946  -2.412
   15   2HB   ASN   1          HB1       ASN   1  31.389   1.441  -3.972
   16   1HD2  ASN   1          HD21      ASN   1  29.869   0.881  -0.867
   17   2HD2  ASN   1          HD22      ASN   1  28.497   1.891  -1.150
   18    H    CYS   2           HN       CYS   2  28.883  -0.125  -2.238
   19    HA   CYS   2           HA       CYS   2  28.450  -2.443  -3.932
   20   1HB   CYS   2          HB2       CYS   2  26.822  -0.907  -1.973
   21   2HB   CYS   2          HB1       CYS   2  25.965  -1.784  -3.238
   22    H    GLY   3           HN       GLY   3  28.698   0.835  -4.429
   23   1HA   GLY   3          HA2       GLY   3  28.469   1.886  -6.523
   24   2HA   GLY   3          HA1       GLY   3  27.382   0.597  -7.026
   25    HA   PRO   4           HA       PRO   4  25.388   4.837  -5.405
   26   1HB   PRO   4          HB2       PRO   4  24.671   4.646  -8.320
   27   2HB   PRO   4          HB1       PRO   4  24.816   6.083  -7.297
   28   1HG   PRO   4          HG2       PRO   4  26.816   5.442  -8.898
   29   2HG   PRO   4          HG1       PRO   4  27.157   5.951  -7.236
   30   1HD   PRO   4          HD2       PRO   4  27.245   3.221  -8.436
   31   2HD   PRO   4          HD1       PRO   4  28.254   3.926  -7.155
   32    HA   PRO   5           HA       PRO   5  21.988   2.112  -4.473
   33   1HB   PRO   5          HB2       PRO   5  20.693   4.708  -3.814
   34   2HB   PRO   5          HB1       PRO   5  20.835   3.239  -2.842
   35   1HG   PRO   5          HG2       PRO   5  22.351   5.361  -2.317
   36   2HG   PRO   5          HG1       PRO   5  23.013   3.720  -2.199
   37   1HD   PRO   5          HD2       PRO   5  23.397   5.773  -4.335
   38   2HD   PRO   5          HD1       PRO   5  24.556   4.603  -3.672
   39    HA   PRO   6           HA       PRO   6  19.788   2.543  -8.390
   40   1HB   PRO   6          HB2       PRO   6  18.143   0.379  -7.833
   41   2HB   PRO   6          HB1       PRO   6  19.709   0.280  -8.642
   42   1HG   PRO   6          HG2       PRO   6  18.994  -0.251  -5.799
   43   2HG   PRO   6          HG1       PRO   6  20.171  -1.076  -6.837
   44   1HD   PRO   6          HD2       PRO   6  20.921   0.684  -4.945
   45   2HD   PRO   6          HD1       PRO   6  21.797   0.525  -6.482
   46    H    THR   7           HN       THR   7  17.361   2.107  -8.826
   47    HA   THR   7           HA       THR   7  15.866   3.916  -7.064
   48    HB   THR   7           HB       THR   7  15.270   3.035  -9.901
   49    HG1  THR   7           HG1      THR   7  16.359   5.405  -8.773
   50   1HG2  THR   7          HG21      THR   7  13.846   4.989  -8.089
   51   2HG2  THR   7          HG22      THR   7  13.200   3.485  -8.748
   52   3HG2  THR   7          HG23      THR   7  13.555   4.839  -9.821
   53    H    LEU   8           HN       LEU   8  14.198   3.184  -5.877
   54    HA   LEU   8           HA       LEU   8  13.324   0.418  -6.316
   55   1HB   LEU   8          HB2       LEU   8  13.132   2.115  -3.831
   56   2HB   LEU   8          HB1       LEU   8  12.645   0.438  -3.969
   57    HG   LEU   8           HG       LEU   8  15.103  -0.004  -4.608
   58   1HD1  LEU   8          HD11      LEU   8  15.349   2.706  -3.324
   59   2HD1  LEU   8          HD12      LEU   8  15.823   2.259  -4.964
   60   3HD1  LEU   8          HD13      LEU   8  16.688   1.587  -3.582
   61   1HD2  LEU   8          HD21      LEU   8  14.056  -0.741  -2.530
   62   2HD2  LEU   8          HD22      LEU   8  14.357   0.841  -1.811
   63   3HD2  LEU   8          HD23      LEU   8  15.712  -0.203  -2.244
   64    H    SER   9           HN       SER   9  11.482   0.344  -7.448
   65    HA   SER   9           HA       SER   9   9.584   2.461  -7.489
   66   1HB   SER   9          HB2       SER   9   9.315  -0.425  -8.384
   67   2HB   SER   9          HB1       SER   9   8.163   0.860  -8.751
   68    HG   SER   9           HG       SER   9   9.766   1.909  -9.929
   69    H    PHE  10           HN       PHE  10  10.161  -0.217  -5.441
   70    HA   PHE  10           HA       PHE  10   7.502  -0.035  -4.232
   71   1HB   PHE  10          HB2       PHE  10   8.340  -2.037  -2.887
   72   2HB   PHE  10          HB1       PHE  10   8.079  -2.295  -4.609
   73    HD1  PHE  10           HD1      PHE  10   9.879  -2.807  -6.074
   74    HD2  PHE  10           HD2      PHE  10  10.616  -1.865  -1.991
   75    HE1  PHE  10           HE1      PHE  10  12.185  -3.629  -6.306
   76    HE2  PHE  10           HE2      PHE  10  12.925  -2.683  -2.215
   77    HZ   PHE  10           HZ       PHE  10  13.713  -3.567  -4.374
   78    H    ALA  11           HN       ALA  11   9.039   2.177  -3.902
   79    HA   ALA  11           HA       ALA  11   8.878   2.912  -1.366
   80   1HB   ALA  11          HB1       ALA  11  11.653   1.755  -1.748
   81   2HB   ALA  11          HB2       ALA  11  10.417   1.148  -0.648
   82   3HB   ALA  11          HB3       ALA  11  11.146   2.729  -0.369
   83    H    ALA  12           HN       ALA  12  11.100   4.473  -0.866
   84    HA   ALA  12           HA       ALA  12  11.951   5.946  -3.074
   85   1HB   ALA  12          HB1       ALA  12   9.594   7.223  -1.683
   86   2HB   ALA  12          HB2       ALA  12   9.572   6.534  -3.307
   87   3HB   ALA  12          HB3       ALA  12  10.573   7.945  -2.961
   88    HA   PRO  13           HA       PRO  13  14.860   7.434  -0.098
   89   1HB   PRO  13          HB2       PRO  13  14.427  10.067  -1.451
   90   2HB   PRO  13          HB1       PRO  13  15.940   9.255  -1.033
   91   1HG   PRO  13          HG2       PRO  13  15.028   9.238  -3.539
   92   2HG   PRO  13          HG1       PRO  13  15.816   7.810  -2.844
   93   1HD   PRO  13          HD2       PRO  13  12.942   8.296  -3.423
   94   2HD   PRO  13          HD1       PRO  13  13.852   6.773  -3.414
   95    H    MET  14           HN       MET  14  14.873   8.483   1.860
   96    HA   MET  14           HA       MET  14  12.553  10.171   2.496
   97   1HB   MET  14          HB2       MET  14  12.207   7.846   3.313
   98   2HB   MET  14          HB1       MET  14  13.660   8.007   4.288
   99   1HG   MET  14          HG2       MET  14  12.629   9.809   5.554
  100   2HG   MET  14          HG1       MET  14  11.178   9.685   4.561
  101   1HE   MET  14          HE1       MET  14   9.705   9.471   6.739
  102   2HE   MET  14          HE2       MET  14  11.132   9.556   7.771
  103   3HE   MET  14          HE3       MET  14   9.961   8.256   7.991
  104    H    ASP  15           HN       ASP  15  15.900   9.610   2.703
  105    HA   ASP  15           HA       ASP  15  16.396  12.178   3.814
  106   1HB   ASP  15          HB2       ASP  15  15.785  10.703   5.836
  107   2HB   ASP  15          HB1       ASP  15  17.335   9.913   5.566
  108    H    ILE  16           HN       ILE  16  18.915  10.516   4.991
  109    HA   ILE  16           HA       ILE  16  21.084  10.439   4.319
  110    HB   ILE  16           HB       ILE  16  20.592   8.204   3.799
  111   1HG1  ILE  16          HG12      ILE  16  21.792   9.318   1.272
  112   2HG1  ILE  16          HG11      ILE  16  22.676   9.136   2.785
  113   1HG2  ILE  16          HG21      ILE  16  18.470   8.495   2.670
  114   2HG2  ILE  16          HG22      ILE  16  19.535   7.460   1.718
  115   3HG2  ILE  16          HG23      ILE  16  19.296   9.145   1.253
  116   1HD1  ILE  16          HD11      ILE  16  22.298   6.721   2.698
  117   2HD1  ILE  16          HD12      ILE  16  23.163   7.312   1.279
  118   3HD1  ILE  16          HD13      ILE  16  21.448   6.918   1.166
  119    H    THR  17           HN       THR  17  21.582  12.524   3.750
  120    HA   THR  17           HA       THR  17  20.997  13.909   1.469
  121    HB   THR  17           HB       THR  17  23.380  14.861   1.623
  122    HG1  THR  17           HG1      THR  17  24.239  14.293   3.842
  123   1HG2  THR  17          HG21      THR  17  21.391  15.904   2.662
  124   2HG2  THR  17          HG22      THR  17  22.854  16.149   3.615
  125   3HG2  THR  17          HG23      THR  17  21.670  14.941   4.113
  126    H    LEU  18           HN       LEU  18  21.148  13.372  -0.606
  127    HA   LEU  18           HA       LEU  18  22.728  11.150  -1.422
  128   1HB   LEU  18          HB2       LEU  18  20.732  12.948  -2.663
  129   2HB   LEU  18          HB1       LEU  18  21.859  12.167  -3.750
  130    HG   LEU  18           HG       LEU  18  19.832  10.859  -3.612
  131   1HD1  LEU  18          HD11      LEU  18  20.762   8.708  -2.841
  132   2HD1  LEU  18          HD12      LEU  18  22.119   9.577  -2.123
  133   3HD1  LEU  18          HD13      LEU  18  21.879   9.604  -3.871
  134   1HD2  LEU  18          HD21      LEU  18  19.147  11.687  -1.370
  135   2HD2  LEU  18          HD22      LEU  18  20.346  10.608  -0.656
  136   3HD2  LEU  18          HD23      LEU  18  18.991   9.941  -1.566
  137    H    THR  19           HN       THR  19  24.257  13.319  -0.385
  138    HA   THR  19           HA       THR  19  25.572  14.533  -2.684
  139    HB   THR  19           HB       THR  19  26.804  15.867  -1.099
  140    HG1  THR  19           HG1      THR  19  25.548  14.393   0.989
  141   1HG2  THR  19          HG21      THR  19  24.917  16.896   0.197
  142   2HG2  THR  19          HG22      THR  19  23.890  15.574  -0.366
  143   3HG2  THR  19          HG23      THR  19  24.599  16.699  -1.526
  144    H    GLU  20           HN       GLU  20  25.707  11.647  -1.232
  145    HA   GLU  20           HA       GLU  20  28.629  11.391  -1.380
  146   1HB   GLU  20          HB2       GLU  20  26.542   9.619  -0.100
  147   2HB   GLU  20          HB1       GLU  20  28.256   9.234  -0.171
  148   1HG   GLU  20          HG2       GLU  20  27.078  11.652   1.181
  149   2HG   GLU  20          HG1       GLU  20  27.568  10.166   1.995
  150    H    THR  21           HN       THR  21  29.261   9.042  -2.087
  151    HA   THR  21           HA       THR  21  27.659   8.248  -4.424
  152    HB   THR  21           HB       THR  21  29.922   7.731  -5.525
  153    HG1  THR  21           HG1      THR  21  31.379   9.619  -4.668
  154   1HG2  THR  21          HG21      THR  21  28.339   9.500  -6.255
  155   2HG2  THR  21          HG22      THR  21  30.027   9.930  -6.531
  156   3HG2  THR  21          HG23      THR  21  29.150  10.629  -5.169
  157    H    ARG  22           HN       ARG  22  29.949   7.401  -1.939
  158    HA   ARG  22           HA       ARG  22  29.404   4.554  -2.447
  159   1HB   ARG  22          HB2       ARG  22  31.935   5.693  -1.266
  160   2HB   ARG  22          HB1       ARG  22  31.606   4.003  -1.618
  161   1HG   ARG  22          HG2       ARG  22  31.501   4.522  -4.005
  162   2HG   ARG  22          HG1       ARG  22  31.846   6.215  -3.647
  163   1HD   ARG  22          HD2       ARG  22  33.648   3.864  -3.078
  164   2HD   ARG  22          HD1       ARG  22  33.862   5.055  -4.360
  165    HE   ARG  22           HE       ARG  22  33.731   6.342  -1.849
  166   1HH1  ARG  22          HH11      ARG  22  35.845   4.376  -3.802
  167   2HH1  ARG  22          HH12      ARG  22  37.294   4.998  -3.086
  168   1HH2  ARG  22          HH21      ARG  22  35.635   7.164  -0.901
  169   2HH2  ARG  22          HH22      ARG  22  37.175   6.580  -1.437
  170    H    PHE  23           HN       PHE  23  29.364   3.194  -0.525
  171    HA   PHE  23           HA       PHE  23  29.022   4.606   2.015
  172   1HB   PHE  23          HB2       PHE  23  26.937   2.645   1.079
  173   2HB   PHE  23          HB1       PHE  23  26.849   3.771   2.429
  174    HD1  PHE  23           HD1      PHE  23  26.961   3.577  -1.262
  175    HD2  PHE  23           HD2      PHE  23  25.947   5.909   2.147
  176    HE1  PHE  23           HE1      PHE  23  25.874   5.222  -2.722
  177    HE2  PHE  23           HE2      PHE  23  24.844   7.563   0.690
  178    HZ   PHE  23           HZ       PHE  23  24.806   7.219  -1.748
  179    H    LYS  24           HN       LYS  24  30.373   2.063   0.373
  180    HA   LYS  24           HA       LYS  24  31.328   0.048   0.993
  181   1HB   LYS  24          HB2       LYS  24  31.374   0.480   3.848
  182   2HB   LYS  24          HB1       LYS  24  32.706   0.324   2.714
  183   1HG   LYS  24          HG2       LYS  24  32.371   2.739   2.131
  184   2HG   LYS  24          HG1       LYS  24  31.228   2.821   3.477
  185   1HD   LYS  24          HD2       LYS  24  32.926   2.293   5.057
  186   2HD   LYS  24          HD1       LYS  24  34.072   1.875   3.783
  187   1HE   LYS  24          HE2       LYS  24  34.109   4.196   3.040
  188   2HE   LYS  24          HE1       LYS  24  32.933   4.623   4.282
  189   1HZ   LYS  24          HZ1       LYS  24  35.651   3.544   4.802
  190   2HZ   LYS  24          HZ2       LYS  24  34.527   4.018   5.974
  191   3HZ   LYS  24          HZ3       LYS  24  35.204   5.171   4.938
  192    H    THR  25           HN       THR  25  31.086  -1.847   2.643
  193    HA   THR  25           HA       THR  25  28.317  -2.545   2.718
  194    HB   THR  25           HB       THR  25  29.238  -4.537   4.070
  195    HG1  THR  25           HG1      THR  25  31.401  -3.073   4.027
  196   1HG2  THR  25          HG21      THR  25  30.317  -4.232   1.270
  197   2HG2  THR  25          HG22      THR  25  28.625  -4.563   1.630
  198   3HG2  THR  25          HG23      THR  25  29.866  -5.734   2.080
  199    H    GLY  26           HN       GLY  26  27.456  -3.475   4.886
  200   1HA   GLY  26          HA2       GLY  26  26.980  -3.210   7.143
  201   2HA   GLY  26          HA1       GLY  26  28.435  -2.237   7.291
  202    H    THR  27           HN       THR  27  27.506  -0.421   5.076
  203    HA   THR  27           HA       THR  27  26.340   1.586   6.625
  204    HB   THR  27           HB       THR  27  27.523   1.692   4.312
  205    HG1  THR  27           HG1      THR  27  25.818   3.600   3.933
  206   1HG2  THR  27          HG21      THR  27  24.647   1.573   3.409
  207   2HG2  THR  27          HG22      THR  27  25.828   0.286   3.161
  208   3HG2  THR  27          HG23      THR  27  26.065   1.858   2.398
  209    H    THR  28           HN       THR  28  24.130   2.619   6.151
  210    HA   THR  28           HA       THR  28  22.098   0.795   5.216
  211    HB   THR  28           HB       THR  28  22.132   1.610   8.127
  212    HG1  THR  28           HG1      THR  28  22.349  -0.924   6.838
  213   1HG2  THR  28          HG21      THR  28  20.060   0.312   8.318
  214   2HG2  THR  28          HG22      THR  28  20.067   0.046   6.575
  215   3HG2  THR  28          HG23      THR  28  19.866   1.676   7.218
  216    H    LEU  29           HN       LEU  29  20.587   1.884   4.200
  217    HA   LEU  29           HA       LEU  29  20.407   4.774   4.567
  218   1HB   LEU  29          HB2       LEU  29  19.255   2.931   2.476
  219   2HB   LEU  29          HB1       LEU  29  18.929   4.652   2.534
  220    HG   LEU  29           HG       LEU  29  21.453   4.989   2.353
  221   1HD1  LEU  29          HD11      LEU  29  22.149   2.742   2.947
  222   2HD1  LEU  29          HD12      LEU  29  22.691   3.141   1.317
  223   3HD1  LEU  29          HD13      LEU  29  21.296   2.088   1.550
  224   1HD2  LEU  29          HD21      LEU  29  19.878   5.382   0.512
  225   2HD2  LEU  29          HD22      LEU  29  20.019   3.688   0.041
  226   3HD2  LEU  29          HD23      LEU  29  21.421   4.752  -0.062
  227    H    LYS  30           HN       LYS  30  17.852   5.364   3.841
  228    HA   LYS  30           HA       LYS  30  16.281   4.213   6.049
  229   1HB   LYS  30          HB2       LYS  30  16.846   6.729   5.999
  230   2HB   LYS  30          HB1       LYS  30  15.663   6.829   4.699
  231   1HG   LYS  30          HG2       LYS  30  14.648   7.416   6.813
  232   2HG   LYS  30          HG1       LYS  30  13.949   5.919   6.190
  233   1HD   LYS  30          HD2       LYS  30  15.587   4.685   7.665
  234   2HD   LYS  30          HD1       LYS  30  15.957   6.240   8.411
  235   1HE   LYS  30          HE2       LYS  30  13.239   4.937   8.295
  236   2HE   LYS  30          HE1       LYS  30  14.297   4.993   9.705
  237   1HZ   LYS  30          HZ1       LYS  30  14.124   7.400   9.699
  238   2HZ   LYS  30          HZ2       LYS  30  12.589   6.697   9.806
  239   3HZ   LYS  30          HZ3       LYS  30  13.118   7.352   8.339
  240    H    TYR  31           HN       TYR  31  15.107   6.124   3.343
  241    HA   TYR  31           HA       TYR  31  13.654   5.701   1.661
  242   1HB   TYR  31          HB2       TYR  31  14.689   2.951   2.184
  243   2HB   TYR  31          HB1       TYR  31  13.277   3.142   1.147
  244    HD1  TYR  31           HD1      TYR  31  16.864   3.454   1.394
  245    HD2  TYR  31           HD2      TYR  31  13.466   4.538  -0.924
  246    HE1  TYR  31           HE1      TYR  31  18.335   3.990  -0.502
  247    HE2  TYR  31           HE2      TYR  31  14.927   5.076  -2.827
  248    HH   TYR  31           HH       TYR  31  17.272   5.705  -3.227
  249    H    THR  32           HN       THR  32  11.533   5.744   1.546
  250    HA   THR  32           HA       THR  32   9.972   4.527   3.725
  251    HB   THR  32           HB       THR  32   9.728   6.815   4.066
  252    HG1  THR  32           HG1      THR  32   7.617   6.918   3.877
  253   1HG2  THR  32          HG21      THR  32   9.618   7.118   1.067
  254   2HG2  THR  32          HG22      THR  32  10.909   7.643   2.151
  255   3HG2  THR  32          HG23      THR  32   9.332   8.433   2.207
  256    H    CYS  33           HN       CYS  33   7.502   4.448   2.974
  257    HA   CYS  33           HA       CYS  33   7.473   3.204   0.298
  258   1HB   CYS  33          HB2       CYS  33   5.703   2.361   2.587
  259   2HB   CYS  33          HB1       CYS  33   6.018   1.502   1.084
  260    H    LEU  34           HN       LEU  34   6.330   4.219  -1.054
  261    HA   LEU  34           HA       LEU  34   4.745   6.421  -0.756
  262   1HB   LEU  34          HB2       LEU  34   4.504   4.286  -2.873
  263   2HB   LEU  34          HB1       LEU  34   3.812   5.893  -2.988
  264    HG   LEU  34           HG       LEU  34   6.765   5.281  -2.796
  265   1HD1  LEU  34          HD11      LEU  34   6.803   6.080  -5.143
  266   2HD1  LEU  34          HD12      LEU  34   5.039   6.076  -5.134
  267   3HD1  LEU  34          HD13      LEU  34   5.926   4.565  -4.927
  268   1HD2  LEU  34          HD21      LEU  34   6.173   7.431  -1.801
  269   2HD2  LEU  34          HD22      LEU  34   5.323   7.885  -3.278
  270   3HD2  LEU  34          HD23      LEU  34   7.071   7.644  -3.303
  271    HA   PRO  35           HA       PRO  35   0.737   5.266   0.645
  272   1HB   PRO  35          HB2       PRO  35  -0.628   6.793  -1.439
  273   2HB   PRO  35          HB1       PRO  35  -0.503   7.130   0.289
  274   1HG   PRO  35          HG2       PRO  35   0.753   8.631  -1.574
  275   2HG   PRO  35          HG1       PRO  35   1.423   8.361   0.045
  276   1HD   PRO  35          HD2       PRO  35   2.134   7.030  -2.544
  277   2HD   PRO  35          HD1       PRO  35   3.201   7.613  -1.248
  278    H    GLY  36           HN       GLY  36   0.316   3.139   0.267
  279   1HA   GLY  36          HA2       GLY  36  -1.751   2.217  -1.148
  280   2HA   GLY  36          HA1       GLY  36  -0.532   2.327  -2.403
  281    H    TYR  37           HN       TYR  37   1.359   1.635   0.043
  282    HA   TYR  37           HA       TYR  37   1.378  -1.198  -0.515
  283   1HB   TYR  37          HB2       TYR  37   3.096   0.444   1.367
  284   2HB   TYR  37          HB1       TYR  37   3.381  -1.237   0.928
  285    HD1  TYR  37           HD1      TYR  37   4.801  -1.720  -0.846
  286    HD2  TYR  37           HD2      TYR  37   3.031   2.141  -0.624
  287    HE1  TYR  37           HE1      TYR  37   6.169  -0.988  -2.753
  288    HE2  TYR  37           HE2      TYR  37   4.396   2.882  -2.524
  289    HH   TYR  37           HH       TYR  37   6.507   2.269  -3.626
  290    H    VAL  38           HN       VAL  38   1.126  -2.838   1.117
  291    HA   VAL  38           HA       VAL  38  -0.243  -2.014   3.580
  292    HB   VAL  38           HB       VAL  38  -1.918  -3.760   3.261
  293   1HG1  VAL  38          HG11      VAL  38  -1.951  -2.265   0.670
  294   2HG1  VAL  38          HG12      VAL  38  -2.099  -1.386   2.194
  295   3HG1  VAL  38          HG13      VAL  38  -3.282  -2.625   1.772
  296   1HG2  VAL  38          HG21      VAL  38  -0.514  -5.289   1.964
  297   2HG2  VAL  38          HG22      VAL  38  -0.651  -4.211   0.574
  298   3HG2  VAL  38          HG23      VAL  38  -2.085  -5.018   1.210
  299    H    ARG  39           HN       ARG  39  -0.879  -4.723   4.201
  300    HA   ARG  39           HA       ARG  39   0.888  -5.624   5.896
  301   1HB   ARG  39          HB2       ARG  39  -1.200  -6.786   5.325
  302   2HB   ARG  39          HB1       ARG  39  -0.417  -7.459   3.903
  303   1HG   ARG  39          HG2       ARG  39  -0.375  -9.160   5.515
  304   2HG   ARG  39          HG1       ARG  39   1.261  -8.499   5.485
  305   1HD   ARG  39          HD2       ARG  39   0.506  -8.867   7.774
  306   2HD   ARG  39          HD1       ARG  39   0.764  -7.151   7.456
  307    HE   ARG  39           HE       ARG  39  -1.885  -7.531   6.951
  308   1HH1  ARG  39          HH11      ARG  39   0.196  -8.179   9.670
  309   2HH1  ARG  39          HH12      ARG  39  -1.058  -7.962  10.846
  310   1HH2  ARG  39          HH21      ARG  39  -3.541  -7.245   8.491
  311   2HH2  ARG  39          HH22      ARG  39  -3.181  -7.431  10.175
  312    H    SER  40           HN       SER  40   3.037  -5.343   5.653
  313    HA   SER  40           HA       SER  40   4.585  -7.339   4.491
  314   1HB   SER  40          HB2       SER  40   3.934  -6.422   2.330
  315   2HB   SER  40          HB1       SER  40   4.460  -4.813   2.826
  316    HG   SER  40           HG       SER  40   5.924  -6.925   1.896
  317    H    HIS  41           HN       HIS  41   4.107  -4.647   6.304
  318    HA   HIS  41           HA       HIS  41   6.667  -3.476   6.419
  319   1HB   HIS  41          HB2       HIS  41   5.871  -2.783   8.784
  320   2HB   HIS  41          HB1       HIS  41   5.013  -2.167   7.380
  321    HD1  HIS  41           HD1      HIS  41   2.614  -3.108   6.956
  322    HD2  HIS  41           HD2      HIS  41   4.415  -4.473  10.444
  323    HE1  HIS  41           HE1      HIS  41   0.767  -4.164   8.298
  324    HE2  HIS  41           HE2      HIS  41   1.866  -4.903  10.442
  325    H    SER  42           HN       SER  42   8.484  -4.339   7.017
  326    HA   SER  42           HA       SER  42   8.710  -5.862   9.451
  327   1HB   SER  42          HB2       SER  42   8.090  -7.615   7.813
  328   2HB   SER  42          HB1       SER  42   9.465  -7.148   6.814
  329    HG   SER  42           HG       SER  42  10.420  -7.550   9.218
  330    H    THR  43           HN       THR  43   9.889  -3.934   6.963
  331    HA   THR  43           HA       THR  43  12.263  -3.258   8.384
  332    HB   THR  43           HB       THR  43  13.058  -4.200   5.706
  333    HG1  THR  43           HG1      THR  43  12.223  -6.129   6.042
  334   1HG2  THR  43          HG21      THR  43  14.271  -4.464   8.459
  335   2HG2  THR  43          HG22      THR  43  14.659  -3.228   7.262
  336   3HG2  THR  43          HG23      THR  43  15.059  -4.917   6.948
  337    H    GLN  44           HN       GLN  44  13.774  -2.101   6.459
  338    HA   GLN  44           HA       GLN  44  12.722  -0.787   4.323
  339   1HB   GLN  44          HB2       GLN  44  12.070   1.443   5.239
  340   2HB   GLN  44          HB1       GLN  44  10.957   0.153   5.670
  341   1HG   GLN  44          HG2       GLN  44  11.999   0.005   7.884
  342   2HG   GLN  44          HG1       GLN  44  13.081   1.328   7.448
  343   1HE2  GLN  44          HE21      GLN  44  12.334   2.649   9.089
  344   2HE2  GLN  44          HE22      GLN  44  10.776   3.392   9.045
  345    H    THR  45           HN       THR  45  15.130  -1.539   4.486
  346    HA   THR  45           HA       THR  45  16.729   0.865   4.640
  347    HB   THR  45           HB       THR  45  18.472  -0.186   6.086
  348    HG1  THR  45           HG1      THR  45  17.152  -2.348   5.763
  349   1HG2  THR  45          HG21      THR  45  15.777   0.173   7.401
  350   2HG2  THR  45          HG22      THR  45  16.916   1.463   7.015
  351   3HG2  THR  45          HG23      THR  45  17.341   0.240   8.213
  352    H    LEU  46           HN       LEU  46  18.589   0.776   3.451
  353    HA   LEU  46           HA       LEU  46  18.998  -1.669   1.856
  354   1HB   LEU  46          HB2       LEU  46  19.221   1.237   1.195
  355   2HB   LEU  46          HB1       LEU  46  20.294   0.117   0.379
  356    HG   LEU  46           HG       LEU  46  18.391  -1.094  -0.538
  357   1HD1  LEU  46          HD11      LEU  46  16.748   0.871   1.042
  358   2HD1  LEU  46          HD12      LEU  46  16.786  -0.885   1.210
  359   3HD1  LEU  46          HD13      LEU  46  16.103  -0.152  -0.241
  360   1HD2  LEU  46          HD21      LEU  46  19.245   0.788  -1.816
  361   2HD2  LEU  46          HD22      LEU  46  18.171   1.884  -0.946
  362   3HD2  LEU  46          HD23      LEU  46  17.497   0.651  -2.011
  363    H    THR  47           HN       THR  47  20.690  -2.789   2.572
  364    HA   THR  47           HA       THR  47  22.995  -1.305   3.666
  365    HB   THR  47           HB       THR  47  22.210  -4.170   4.247
  366    HG1  THR  47           HG1      THR  47  21.287  -1.856   5.272
  367   1HG2  THR  47          HG21      THR  47  24.317  -2.384   5.468
  368   2HG2  THR  47          HG22      THR  47  24.603  -3.791   4.444
  369   3HG2  THR  47          HG23      THR  47  23.887  -3.995   6.043
  370    H    CYS  48           HN       CYS  48  25.031  -1.729   2.845
  371    HA   CYS  48           HA       CYS  48  25.096  -3.024   0.302
  372   1HB   CYS  48          HB2       CYS  48  26.538  -1.099   0.702
  373   2HB   CYS  48          HB1       CYS  48  27.330  -1.931   2.033
  374    H    ASN  49           HN       ASN  49  25.103  -5.121   0.086
  375    HA   ASN  49           HA       ASN  49  26.059  -6.825   2.244
  376   1HB   ASN  49          HB2       ASN  49  25.091  -8.654   0.783
  377   2HB   ASN  49          HB1       ASN  49  23.930  -7.455   1.351
  378   1HD2  ASN  49          HD21      ASN  49  23.018  -6.036  -0.091
  379   2HD2  ASN  49          HD22      ASN  49  23.146  -6.231  -1.805
  380    H    SER  50           HN       SER  50  26.926  -9.049   0.953
  381    HA   SER  50           HA       SER  50  29.345  -8.061  -0.393
  382   1HB   SER  50          HB2       SER  50  29.804  -9.262   1.671
  383   2HB   SER  50          HB1       SER  50  28.864 -10.649   1.115
  384    HG   SER  50           HG       SER  50  31.308  -9.670   0.068
  385    H    ASP  51           HN       ASP  51  27.409  -8.048  -2.093
  386    HA   ASP  51           HA       ASP  51  27.688 -10.464  -3.789
  387   1HB   ASP  51          HB2       ASP  51  25.243  -8.761  -3.305
  388   2HB   ASP  51          HB1       ASP  51  25.390  -9.874  -4.659
  389    H    GLY  52           HN       GLY  52  27.101  -6.974  -3.597
  390   1HA   GLY  52          HA2       GLY  52  28.851  -5.816  -5.130
  391   2HA   GLY  52          HA1       GLY  52  27.975  -6.692  -6.381
  392    H    GLU  53           HN       GLU  53  25.795  -6.094  -4.087
  393    HA   GLU  53           HA       GLU  53  25.174  -3.328  -4.779
  394   1HB   GLU  53          HB2       GLU  53  22.874  -3.966  -5.526
  395   2HB   GLU  53          HB1       GLU  53  24.162  -4.467  -6.613
  396   1HG   GLU  53          HG2       GLU  53  23.190  -6.372  -4.544
  397   2HG   GLU  53          HG1       GLU  53  22.222  -6.099  -5.990
  398    H    TRP  54           HN       TRP  54  22.502  -3.354  -4.047
  399    HA   TRP  54           HA       TRP  54  22.719  -3.579  -1.145
  400   1HB   TRP  54          HB2       TRP  54  20.623  -2.175  -2.801
  401   2HB   TRP  54          HB1       TRP  54  20.945  -1.973  -1.086
  402    HD1  TRP  54           HD1      TRP  54  22.111  -0.802  -4.486
  403    HE1  TRP  54           HE1      TRP  54  23.893   1.032  -4.185
  404    HE3  TRP  54           HE3      TRP  54  22.858  -1.234   0.536
  405    HZ2  TRP  54           HZ2      TRP  54  25.426   2.146  -2.081
  406    HZ3  TRP  54           HZ3      TRP  54  24.493   0.243   1.622
  407    HH2  TRP  54           HH2      TRP  54  25.750   1.897   0.342
  408    H    VAL  55           HN       VAL  55  21.780  -5.120  -0.091
  409    HA   VAL  55           HA       VAL  55  19.675  -6.772  -1.342
  410    HB   VAL  55           HB       VAL  55  21.919  -7.323   0.530
  411   1HG1  VAL  55          HG11      VAL  55  19.237  -8.653   0.810
  412   2HG1  VAL  55          HG12      VAL  55  20.123  -7.749   2.037
  413   3HG1  VAL  55          HG13      VAL  55  20.739  -9.301   1.468
  414   1HG2  VAL  55          HG21      VAL  55  22.002  -8.151  -1.735
  415   2HG2  VAL  55          HG22      VAL  55  20.449  -8.963  -1.530
  416   3HG2  VAL  55          HG23      VAL  55  21.858  -9.510  -0.619
  417    H    TYR  56           HN       TYR  56  17.860  -7.393  -0.010
  418    HA   TYR  56           HA       TYR  56  17.392  -6.548   2.546
  419   1HB   TYR  56          HB2       TYR  56  15.890  -4.527   2.143
  420   2HB   TYR  56          HB1       TYR  56  17.619  -4.255   1.950
  421    HD1  TYR  56           HD1      TYR  56  14.494  -4.903   0.050
  422    HD2  TYR  56           HD2      TYR  56  18.481  -3.429  -0.079
  423    HE1  TYR  56           HE1      TYR  56  14.097  -4.041  -2.218
  424    HE2  TYR  56           HE2      TYR  56  18.093  -2.560  -2.347
  425    HH   TYR  56           HH       TYR  56  14.989  -2.343  -3.726
  426    H    ASN  57           HN       ASN  57  14.904  -6.236   3.011
  427    HA   ASN  57           HA       ASN  57  13.560  -8.387   1.591
  428   1HB   ASN  57          HB2       ASN  57  12.751  -6.821   4.051
  429   2HB   ASN  57          HB1       ASN  57  11.864  -8.192   3.390
  430   1HD2  ASN  57          HD21      ASN  57  12.727 -10.258   3.570
  431   2HD2  ASN  57          HD22      ASN  57  13.999 -10.627   4.678
  432    H    THR  58           HN       THR  58  11.140  -8.071   1.202
  433    HA   THR  58           HA       THR  58  10.837  -5.653  -0.389
  434    HB   THR  58           HB       THR  58   8.878  -7.943  -0.185
  435    HG1  THR  58           HG1      THR  58  10.497  -7.852  -2.405
  436   1HG2  THR  58          HG21      THR  58   7.993  -5.906  -1.192
  437   2HG2  THR  58          HG22      THR  58   8.192  -7.160  -2.416
  438   3HG2  THR  58          HG23      THR  58   9.362  -5.843  -2.303
  439    H    PHE  59           HN       PHE  59  10.847  -4.713   1.999
  440    HA   PHE  59           HA       PHE  59   8.581  -4.812   3.602
  441   1HB   PHE  59          HB2       PHE  59   9.304  -2.455   4.293
  442   2HB   PHE  59          HB1       PHE  59  10.483  -3.747   4.502
  443    HD1  PHE  59           HD1      PHE  59   9.589  -0.784   2.535
  444    HD2  PHE  59           HD2      PHE  59  12.495  -3.820   3.210
  445    HE1  PHE  59           HE1      PHE  59  11.220   0.484   1.197
  446    HE2  PHE  59           HE2      PHE  59  14.130  -2.556   1.875
  447    HZ   PHE  59           HZ       PHE  59  13.493  -0.403   0.867
  448    H    CYS  60           HN       CYS  60   6.615  -3.892   3.554
  449    HA   CYS  60           HA       CYS  60   4.775  -2.776   2.804
  450   1HB   CYS  60          HB2       CYS  60   6.561  -0.993   1.160
  451   2HB   CYS  60          HB1       CYS  60   5.009  -0.611   1.896
  452    H    ILE  61           HN       ILE  61   3.450  -3.728   1.355
  453    HA   ILE  61           HA       ILE  61   4.481  -4.018  -1.379
  454    HB   ILE  61           HB       ILE  61   3.102  -6.072  -1.634
  455   1HG1  ILE  61          HG12      ILE  61   2.893  -5.800   1.367
  456   2HG1  ILE  61          HG11      ILE  61   1.573  -5.902   0.206
  457   1HG2  ILE  61          HG21      ILE  61   4.763  -7.508  -0.655
  458   2HG2  ILE  61          HG22      ILE  61   5.283  -6.216   0.428
  459   3HG2  ILE  61          HG23      ILE  61   5.529  -6.061  -1.314
  460   1HD1  ILE  61          HD11      ILE  61   2.273  -8.205  -0.333
  461   2HD1  ILE  61          HD12      ILE  61   1.806  -7.998   1.356
  462   3HD1  ILE  61          HD13      ILE  61   3.512  -8.091   0.918
  463    H    TYR  62           HN       TYR  62   3.458  -2.975  -2.766
  464    HA   TYR  62           HA       TYR  62   0.962  -1.629  -2.358
  465   1HB   TYR  62          HB2       TYR  62   3.109  -1.297  -3.982
  466   2HB   TYR  62          HB1       TYR  62   1.934  -1.980  -5.106
  467    HD1  TYR  62           HD1      TYR  62   3.265   0.952  -4.110
  468    HD2  TYR  62           HD2      TYR  62  -0.569  -0.835  -4.531
  469    HE1  TYR  62           HE1      TYR  62   2.269   3.183  -4.300
  470    HE2  TYR  62           HE2      TYR  62  -1.595   1.392  -4.727
  471    HH   TYR  62           HH       TYR  62   0.392   4.339  -4.509
  472    H    LYS  63           HN       LYS  63  -0.924  -2.576  -2.348
  473    HA   LYS  63           HA       LYS  63  -1.834  -4.090  -4.590
  474   1HB   LYS  63          HB2       LYS  63  -2.519  -6.088  -3.227
  475   2HB   LYS  63          HB1       LYS  63  -0.792  -5.948  -3.522
  476   1HG   LYS  63          HG2       LYS  63  -0.363  -5.280  -1.306
  477   2HG   LYS  63          HG1       LYS  63  -2.070  -4.961  -0.993
  478   1HD   LYS  63          HD2       LYS  63  -2.553  -7.147  -0.644
  479   2HD   LYS  63          HD1       LYS  63  -1.365  -7.717  -1.811
  480   1HE   LYS  63          HE2       LYS  63   0.377  -6.978  -0.134
  481   2HE   LYS  63          HE1       LYS  63  -0.919  -6.836   1.037
  482   1HZ   LYS  63          HZ1       LYS  63  -0.201  -9.310  -0.449
  483   2HZ   LYS  63          HZ2       LYS  63  -1.439  -9.168   0.695
  484   3HZ   LYS  63          HZ3       LYS  63   0.174  -8.988   1.170
  485    H    ARG  64           HN       ARG  64  -3.354  -2.435  -4.698
  486    HA   ARG  64           HA       ARG  64  -5.138  -2.013  -2.449
  487   1HB   ARG  64          HB2       ARG  64  -6.207  -0.366  -4.102
  488   2HB   ARG  64          HB1       ARG  64  -4.591   0.001  -3.511
  489   1HG   ARG  64          HG2       ARG  64  -4.085  -1.468  -5.771
  490   2HG   ARG  64          HG1       ARG  64  -5.517  -0.536  -6.216
  491   1HD   ARG  64          HD2       ARG  64  -3.020   0.643  -5.008
  492   2HD   ARG  64          HD1       ARG  64  -3.364   0.601  -6.738
  493    HE   ARG  64           HE       ARG  64  -5.536   1.802  -5.471
  494   1HH1  ARG  64          HH11      ARG  64  -2.153   2.423  -6.023
  495   2HH1  ARG  64          HH12      ARG  64  -2.333   4.146  -6.007
  496   1HH2  ARG  64          HH21      ARG  64  -5.784   4.069  -5.454
  497   2HH2  ARG  64          HH22      ARG  64  -4.398   5.081  -5.687
  498    H    CYS  65           HN       CYS  65  -7.570  -1.682  -3.322
  499    HA   CYS  65           HA       CYS  65  -8.266  -4.211  -4.661
  500   1HB   CYS  65          HB2       CYS  65 -10.108  -2.721  -2.807
  501   2HB   CYS  65          HB1       CYS  65 -10.165  -4.414  -3.287
  502    H    ARG  66           HN       ARG  66  -9.738  -4.140  -6.336
  503    HA   ARG  66           HA       ARG  66  -9.941  -1.758  -7.746
  504   1HB   ARG  66          HB2       ARG  66 -10.239  -3.975  -8.795
  505   2HB   ARG  66          HB1       ARG  66 -11.771  -4.164  -7.952
  506   1HG   ARG  66          HG2       ARG  66 -12.082  -3.513 -10.286
  507   2HG   ARG  66          HG1       ARG  66 -12.708  -2.291  -9.175
  508   1HD   ARG  66          HD2       ARG  66 -10.713  -0.945  -9.493
  509   2HD   ARG  66          HD1       ARG  66 -10.021  -2.183 -10.540
  510    HE   ARG  66           HE       ARG  66 -12.423  -1.519 -11.689
  511   1HH1  ARG  66          HH11      ARG  66  -9.517   0.186 -10.800
  512   2HH1  ARG  66          HH12      ARG  66  -9.666   1.361 -12.065
  513   1HH2  ARG  66          HH21      ARG  66 -12.626   0.023 -13.357
  514   2HH2  ARG  66          HH22      ARG  66 -11.434   1.269 -13.516
  515    H    HIS  67           HN       HIS  67 -11.460  -0.173  -7.886
  516    HA   HIS  67           HA       HIS  67 -12.904   0.470  -5.587
  517   1HB   HIS  67          HB2       HIS  67 -13.381   1.470  -8.402
  518   2HB   HIS  67          HB1       HIS  67 -13.853   2.270  -6.911
  519    HD1  HIS  67           HD1      HIS  67 -10.672   1.188  -8.674
  520    HD2  HIS  67           HD2      HIS  67 -12.026   4.042  -5.978
  521    HE1  HIS  67           HE1      HIS  67  -8.716   2.719  -8.279
  522    HE2  HIS  67           HE2      HIS  67  -9.527   4.371  -6.558
  523    HA   PRO  68           HA       PRO  68 -16.407  -2.303  -6.017
  524   1HB   PRO  68          HB2       PRO  68 -18.094  -0.812  -4.396
  525   2HB   PRO  68          HB1       PRO  68 -16.989  -2.060  -3.825
  526   1HG   PRO  68          HG2       PRO  68 -16.665   0.905  -3.825
  527   2HG   PRO  68          HG1       PRO  68 -16.133  -0.287  -2.624
  528   1HD   PRO  68          HD2       PRO  68 -14.410   0.837  -4.356
  529   2HD   PRO  68          HD1       PRO  68 -14.239  -0.852  -3.833
  530    H    GLY  69           HN       GLY  69 -16.346   1.105  -6.652
  531   1HA   GLY  69          HA2       GLY  69 -17.199   1.856  -8.781
  532   2HA   GLY  69          HA1       GLY  69 -18.482   0.667  -8.629
  533    H    GLU  70           HN       GLU  70 -19.744   2.565  -9.212
  534    HA   GLU  70           HA       GLU  70 -20.090   4.633  -7.204
  535   1HB   GLU  70          HB2       GLU  70 -20.263   5.186  -9.626
  536   2HB   GLU  70          HB1       GLU  70 -21.657   4.119  -9.741
  537   1HG   GLU  70          HG2       GLU  70 -22.890   5.530  -8.197
  538   2HG   GLU  70          HG1       GLU  70 -21.487   6.583  -8.020
  539    H    LEU  71           HN       LEU  71 -21.643   4.828  -5.774
  540    HA   LEU  71           HA       LEU  71 -23.354   2.501  -5.313
  541   1HB   LEU  71          HB2       LEU  71 -21.910   3.886  -3.560
  542   2HB   LEU  71          HB1       LEU  71 -23.331   4.907  -3.534
  543    HG   LEU  71           HG       LEU  71 -23.220   1.978  -2.797
  544   1HD1  LEU  71          HD11      LEU  71 -23.704   4.441  -1.127
  545   2HD1  LEU  71          HD12      LEU  71 -22.227   3.474  -1.140
  546   3HD1  LEU  71          HD13      LEU  71 -23.736   2.772  -0.554
  547   1HD2  LEU  71          HD21      LEU  71 -25.356   2.335  -3.767
  548   2HD2  LEU  71          HD22      LEU  71 -25.544   3.883  -2.944
  549   3HD2  LEU  71          HD23      LEU  71 -25.576   2.383  -2.014
  550    H    ARG  72           HN       ARG  72 -25.066   2.679  -6.759
  551    HA   ARG  72           HA       ARG  72 -26.347   5.155  -7.318
  552   1HB   ARG  72          HB2       ARG  72 -26.655   3.289  -8.876
  553   2HB   ARG  72          HB1       ARG  72 -27.341   2.295  -7.594
  554   1HG   ARG  72          HG2       ARG  72 -29.305   3.637  -7.502
  555   2HG   ARG  72          HG1       ARG  72 -28.607   4.832  -8.598
  556   1HD   ARG  72          HD2       ARG  72 -29.299   1.975  -9.268
  557   2HD   ARG  72          HD1       ARG  72 -30.179   3.412  -9.785
  558    HE   ARG  72           HE       ARG  72 -27.435   3.477 -10.575
  559   1HH1  ARG  72          HH11      ARG  72 -30.571   2.199 -11.395
  560   2HH1  ARG  72          HH12      ARG  72 -30.204   2.032 -13.079
  561   1HH2  ARG  72          HH21      ARG  72 -26.944   3.261 -12.789
  562   2HH2  ARG  72          HH22      ARG  72 -28.142   2.634 -13.872
  563    H    ASN  73           HN       ASN  73 -27.562   6.337  -6.211
  564    HA   ASN  73           HA       ASN  73 -28.806   7.149  -4.491
  565   1HB   ASN  73          HB2       ASN  73 -29.650   4.248  -4.162
  566   2HB   ASN  73          HB1       ASN  73 -30.421   5.624  -3.377
  567   1HD2  ASN  73          HD21      ASN  73 -30.107   7.321  -5.734
  568   2HD2  ASN  73          HD22      ASN  73 -31.302   6.789  -6.863
  569    H    GLY  74           HN       GLY  74 -26.252   6.999  -4.002
  570   1HA   GLY  74          HA2       GLY  74 -25.990   6.698  -1.262
  571   2HA   GLY  74          HA1       GLY  74 -25.379   5.224  -1.991
  572    H    GLN  75           HN       GLN  75 -23.535   6.337  -0.636
  573    HA   GLN  75           HA       GLN  75 -21.749   7.490  -2.600
  574   1HB   GLN  75          HB2       GLN  75 -21.030   9.329  -1.022
  575   2HB   GLN  75          HB1       GLN  75 -22.591   9.544  -1.800
  576   1HG   GLN  75          HG2       GLN  75 -23.730   8.854   0.214
  577   2HG   GLN  75          HG1       GLN  75 -22.186   8.522   0.999
  578   1HE2  GLN  75          HE21      GLN  75 -20.897  10.858  -0.175
  579   2HE2  GLN  75          HE22      GLN  75 -21.507  12.226   0.687
  580    H    VAL  76           HN       VAL  76 -20.730   5.472  -2.339
  581    HA   VAL  76           HA       VAL  76 -19.798   4.219  -0.129
  582    HB   VAL  76           HB       VAL  76 -18.222   4.622  -2.674
  583   1HG1  VAL  76          HG11      VAL  76 -16.819   3.775  -0.875
  584   2HG1  VAL  76          HG12      VAL  76 -17.113   2.518  -2.075
  585   3HG1  VAL  76          HG13      VAL  76 -17.987   2.498  -0.543
  586   1HG2  VAL  76          HG21      VAL  76 -20.440   3.729  -3.100
  587   2HG2  VAL  76          HG22      VAL  76 -20.192   2.478  -1.883
  588   3HG2  VAL  76          HG23      VAL  76 -19.219   2.482  -3.354
  589    H    GLU  77           HN       GLU  77 -18.512   4.796   1.570
  590    HA   GLU  77           HA       GLU  77 -17.105   7.298   1.507
  591   1HB   GLU  77          HB2       GLU  77 -18.209   6.556   3.557
  592   2HB   GLU  77          HB1       GLU  77 -17.183   5.129   3.616
  593   1HG   GLU  77          HG2       GLU  77 -15.217   6.573   3.884
  594   2HG   GLU  77          HG1       GLU  77 -16.273   7.987   3.878
  595    H    ILE  78           HN       ILE  78 -15.576   6.965  -0.158
  596    HA   ILE  78           HA       ILE  78 -13.418   5.071   0.490
  597    HB   ILE  78           HB       ILE  78 -14.766   5.274  -1.861
  598   1HG1  ILE  78          HG12      ILE  78 -12.860   4.020  -2.847
  599   2HG1  ILE  78          HG11      ILE  78 -11.880   4.466  -1.454
  600   1HG2  ILE  78          HG21      ILE  78 -13.857   7.525  -2.281
  601   2HG2  ILE  78          HG22      ILE  78 -13.375   6.358  -3.512
  602   3HG2  ILE  78          HG23      ILE  78 -12.228   6.848  -2.264
  603   1HD1  ILE  78          HD11      ILE  78 -12.736   2.206  -1.245
  604   2HD1  ILE  78          HD12      ILE  78 -14.388   2.808  -1.384
  605   3HD1  ILE  78          HD13      ILE  78 -13.402   3.252   0.010
  606    H    LYS  79           HN       LYS  79 -11.230   5.771   0.309
  607    HA   LYS  79           HA       LYS  79 -10.503   8.451  -0.244
  608   1HB   LYS  79          HB2       LYS  79  -9.899   9.147   2.049
  609   2HB   LYS  79          HB1       LYS  79 -11.632   8.945   1.848
  610   1HG   LYS  79          HG2       LYS  79  -9.828   6.869   3.073
  611   2HG   LYS  79          HG1       LYS  79 -10.715   8.079   3.999
  612   1HD   LYS  79          HD2       LYS  79 -12.799   7.184   2.815
  613   2HD   LYS  79          HD1       LYS  79 -11.792   5.795   2.392
  614   1HE   LYS  79          HE2       LYS  79 -12.042   6.777   5.217
  615   2HE   LYS  79          HE1       LYS  79 -13.194   5.646   4.520
  616   1HZ   LYS  79          HZ1       LYS  79 -11.335   4.145   4.038
  617   2HZ   LYS  79          HZ2       LYS  79 -11.480   4.459   5.694
  618   3HZ   LYS  79          HZ3       LYS  79 -10.270   5.222   4.793
  619    H    THR  80           HN       THR  80  -9.727   5.558   1.612
  620    HA   THR  80           HA       THR  80  -6.903   6.008   1.539
  621    HB   THR  80           HB       THR  80  -6.703   3.864   2.618
  622    HG1  THR  80           HG1      THR  80  -8.287   2.378   2.574
  623   1HG2  THR  80          HG21      THR  80  -7.323   5.465   4.192
  624   2HG2  THR  80          HG22      THR  80  -8.523   4.194   4.438
  625   3HG2  THR  80          HG23      THR  80  -8.945   5.642   3.517
  626    H    ASP  81           HN       ASP  81  -8.580   5.630  -1.048
  627    HA   ASP  81           HA       ASP  81  -8.195   4.758  -3.143
  628   1HB   ASP  81          HB2       ASP  81  -5.531   4.200  -1.875
  629   2HB   ASP  81          HB1       ASP  81  -5.875   3.927  -3.580
  630    H    LEU  82           HN       LEU  82  -8.730   3.007  -0.587
  631    HA   LEU  82           HA       LEU  82  -9.373   0.863  -0.181
  632   1HB   LEU  82          HB2       LEU  82  -8.979   0.587  -3.147
  633   2HB   LEU  82          HB1       LEU  82  -9.768  -0.601  -2.124
  634    HG   LEU  82           HG       LEU  82 -11.212   1.623  -1.543
  635   1HD1  LEU  82          HD11      LEU  82 -11.714   2.772  -3.623
  636   2HD1  LEU  82          HD12      LEU  82 -10.489   1.821  -4.463
  637   3HD1  LEU  82          HD13      LEU  82 -10.012   2.963  -3.206
  638   1HD2  LEU  82          HD21      LEU  82 -12.062  -0.563  -2.078
  639   2HD2  LEU  82          HD22      LEU  82 -11.642  -0.335  -3.776
  640   3HD2  LEU  82          HD23      LEU  82 -12.890   0.667  -3.032
  641    H    SER  83           HN       SER  83  -6.951   1.285   0.598
  642    HA   SER  83           HA       SER  83  -5.109  -0.620  -0.594
  643   1HB   SER  83          HB2       SER  83  -3.524   0.145   1.142
  644   2HB   SER  83          HB1       SER  83  -4.204   1.501   0.242
  645    HG   SER  83           HG       SER  83  -5.053   2.217   2.023
  646    H    PHE  84           HN       PHE  84  -4.851  -2.671   0.065
  647    HA   PHE  84           HA       PHE  84  -6.566  -4.143   1.500
  648   1HB   PHE  84          HB2       PHE  84  -4.778  -5.242   0.366
  649   2HB   PHE  84          HB1       PHE  84  -3.568  -4.455   1.372
  650    HD1  PHE  84           HD1      PHE  84  -6.212  -7.022   1.326
  651    HD2  PHE  84           HD2      PHE  84  -2.944  -5.345   3.476
  652    HE1  PHE  84           HE1      PHE  84  -6.239  -8.944   2.862
  653    HE2  PHE  84           HE2      PHE  84  -2.965  -7.264   5.014
  654    HZ   PHE  84           HZ       PHE  84  -4.613  -9.067   4.709
  655    H    GLY  85           HN       GLY  85  -7.037  -4.681   3.592
  656   1HA   GLY  85          HA2       GLY  85  -6.860  -4.694   5.907
  657   2HA   GLY  85          HA1       GLY  85  -5.367  -3.775   5.772
  658    H    SER  86           HN       SER  86  -8.568  -2.983   4.449
  659    HA   SER  86           HA       SER  86  -8.835  -0.841   6.410
  660   1HB   SER  86          HB2       SER  86  -9.295   0.837   4.650
  661   2HB   SER  86          HB1       SER  86  -7.637   0.233   4.595
  662    HG   SER  86           HG       SER  86  -9.100   0.354   2.573
  663    H    GLN  87           HN       GLN  87 -10.872   0.225   6.372
  664    HA   GLN  87           HA       GLN  87 -13.045  -1.501   5.376
  665   1HB   GLN  87          HB2       GLN  87 -13.061  -1.809   7.720
  666   2HB   GLN  87          HB1       GLN  87 -12.762  -0.106   8.032
  667   1HG   GLN  87          HG2       GLN  87 -15.254  -0.746   6.593
  668   2HG   GLN  87          HG1       GLN  87 -15.163  -1.264   8.276
  669   1HE2  GLN  87          HE21      GLN  87 -13.349   1.482   7.316
  670   2HE2  GLN  87          HE22      GLN  87 -14.354   2.685   8.031
  671    H    ILE  88           HN       ILE  88 -14.666  -0.524   4.269
  672    HA   ILE  88           HA       ILE  88 -14.687   2.423   4.197
  673    HB   ILE  88           HB       ILE  88 -15.247   2.351   1.812
  674   1HG1  ILE  88          HG12      ILE  88 -14.528  -0.586   1.907
  675   2HG1  ILE  88          HG11      ILE  88 -16.187   0.004   1.877
  676   1HG2  ILE  88          HG21      ILE  88 -13.003   1.726   1.001
  677   2HG2  ILE  88          HG22      ILE  88 -12.681   0.955   2.555
  678   3HG2  ILE  88          HG23      ILE  88 -12.950   2.697   2.472
  679   1HD1  ILE  88          HD11      ILE  88 -15.485  -0.660  -0.332
  680   2HD1  ILE  88          HD12      ILE  88 -14.106   0.437  -0.251
  681   3HD1  ILE  88          HD13      ILE  88 -15.747   1.084  -0.279
  682    H    GLU  89           HN       GLU  89 -16.522   3.203   4.887
  683    HA   GLU  89           HA       GLU  89 -18.850   1.528   5.134
  684   1HB   GLU  89          HB2       GLU  89 -18.969   4.461   5.648
  685   2HB   GLU  89          HB1       GLU  89 -19.701   3.137   6.543
  686   1HG   GLU  89          HG2       GLU  89 -17.477   2.534   7.411
  687   2HG   GLU  89          HG1       GLU  89 -16.803   3.927   6.566
  688    H    PHE  90           HN       PHE  90 -21.000   2.911   4.661
  689    HA   PHE  90           HA       PHE  90 -20.821   4.051   1.972
  690   1HB   PHE  90          HB2       PHE  90 -22.849   1.946   2.761
  691   2HB   PHE  90          HB1       PHE  90 -22.703   2.721   1.187
  692    HD1  PHE  90           HD1      PHE  90 -21.259   0.256   3.473
  693    HD2  PHE  90           HD2      PHE  90 -20.975   2.074  -0.369
  694    HE1  PHE  90           HE1      PHE  90 -19.736  -1.531   2.739
  695    HE2  PHE  90           HE2      PHE  90 -19.454   0.289  -1.105
  696    HZ   PHE  90           HZ       PHE  90 -18.833  -1.515   0.449
  697    H    SER  91           HN       SER  91 -23.292   4.749   1.406
  698    HA   SER  91           HA       SER  91 -24.747   5.702   3.683
  699   1HB   SER  91          HB2       SER  91 -23.289   7.724   1.982
  700   2HB   SER  91          HB1       SER  91 -24.516   8.105   3.189
  701    HG   SER  91           HG       SER  91 -23.132   7.687   4.755
  702    H    CYS  92           HN       CYS  92 -26.703   5.228   3.049
  703    HA   CYS  92           HA       CYS  92 -27.458   5.484   0.258
  704   1HB   CYS  92          HB2       CYS  92 -28.991   4.515   2.673
  705   2HB   CYS  92          HB1       CYS  92 -29.677   4.607   1.053
  706    H    SER  93           HN       SER  93 -28.459   7.146  -0.619
  707    HA   SER  93           HA       SER  93 -28.616   9.632   0.472
  708   1HB   SER  93          HB2       SER  93 -30.226   8.393  -1.747
  709   2HB   SER  93          HB1       SER  93 -30.358  10.102  -1.329
  710    HG   SER  93           HG       SER  93 -28.707  10.287  -2.625
  711    H    GLU  94           HN       GLU  94 -30.686  10.963   0.448
  712    HA   GLU  94           HA       GLU  94 -32.065  10.818   2.763
  713   1HB   GLU  94          HB2       GLU  94 -32.178  12.744   1.331
  714   2HB   GLU  94          HB1       GLU  94 -33.040  11.830   0.103
  715   1HG   GLU  94          HG2       GLU  94 -34.966  11.646   1.494
  716   2HG   GLU  94          HG1       GLU  94 -34.107  12.355   2.861
  717    H    GLY  95           HN       GLY  95 -33.884   9.967  -0.162
  718   1HA   GLY  95          HA2       GLY  95 -35.893   8.672   1.369
  719   2HA   GLY  95          HA1       GLY  95 -35.744   8.659  -0.376
  720    H    PHE  96           HN       PHE  96 -33.060   7.465   1.493
  721    HA   PHE  96           HA       PHE  96 -34.022   4.712   1.427
  722   1HB   PHE  96          HB2       PHE  96 -31.448   5.431   0.018
  723   2HB   PHE  96          HB1       PHE  96 -32.280   3.881   0.024
  724    HD1  PHE  96           HD1      PHE  96 -32.019   7.134  -1.528
  725    HD2  PHE  96           HD2      PHE  96 -34.357   3.591  -1.276
  726    HE1  PHE  96           HE1      PHE  96 -33.167   7.747  -3.616
  727    HE2  PHE  96           HE2      PHE  96 -35.513   4.195  -3.357
  728    HZ   PHE  96           HZ       PHE  96 -34.916   6.277  -4.535
  729    H    PHE  97           HN       PHE  97 -32.516   3.202   2.417
  730    HA   PHE  97           HA       PHE  97 -30.595   4.476   4.233
  731   1HB   PHE  97          HB2       PHE  97 -31.303   3.061   6.074
  732   2HB   PHE  97          HB1       PHE  97 -32.670   3.995   5.486
  733    HD1  PHE  97           HD1      PHE  97 -34.234   2.806   3.802
  734    HD2  PHE  97           HD2      PHE  97 -31.504   0.784   6.364
  735    HE1  PHE  97           HE1      PHE  97 -35.563   0.748   3.586
  736    HE2  PHE  97           HE2      PHE  97 -32.828  -1.279   6.152
  737    HZ   PHE  97           HZ       PHE  97 -34.861  -1.298   4.762
  738    H    LEU  98           HN       LEU  98 -29.176   2.792   5.272
  739    HA   LEU  98           HA       LEU  98 -28.006   1.266   3.101
  740   1HB   LEU  98          HB2       LEU  98 -26.761   2.779   4.735
  741   2HB   LEU  98          HB1       LEU  98 -26.986   1.515   5.925
  742    HG   LEU  98           HG       LEU  98 -24.749   1.545   4.790
  743   1HD1  LEU  98          HD11      LEU  98 -26.375  -0.965   4.444
  744   2HD1  LEU  98          HD12      LEU  98 -25.608  -0.434   5.940
  745   3HD1  LEU  98          HD13      LEU  98 -24.617  -0.864   4.546
  746   1HD2  LEU  98          HD21      LEU  98 -24.573   0.648   2.544
  747   2HD2  LEU  98          HD22      LEU  98 -25.532   2.128   2.549
  748   3HD2  LEU  98          HD23      LEU  98 -26.331   0.560   2.424
  749    H    ILE  99           HN       ILE  99 -27.887  -0.890   2.949
  750    HA   ILE  99           HA       ILE  99 -28.433  -2.680   5.157
  751    HB   ILE  99           HB       ILE  99 -30.045  -3.480   2.877
  752   1HG1  ILE  99          HG12      ILE  99 -31.149  -1.160   4.431
  753   2HG1  ILE  99          HG11      ILE  99 -30.290  -0.931   2.911
  754   1HG2  ILE  99          HG21      ILE  99 -31.686  -3.951   4.625
  755   2HG2  ILE  99          HG22      ILE  99 -30.674  -3.108   5.797
  756   3HG2  ILE  99          HG23      ILE  99 -30.092  -4.586   5.031
  757   1HD1  ILE  99          HD11      ILE  99 -31.923  -2.355   1.781
  758   2HD1  ILE  99          HD12      ILE  99 -32.681  -0.961   2.551
  759   3HD1  ILE  99          HD13      ILE  99 -32.792  -2.553   3.302
  760    H    GLY 100           HN       GLY 100 -27.298  -4.475   4.912
  761   1HA   GLY 100          HA2       GLY 100 -26.730  -6.261   3.152
  762   2HA   GLY 100          HA1       GLY 100 -25.944  -4.907   2.338
  763    H    SER 101           HN       SER 101 -24.608  -3.592   4.004
  764    HA   SER 101           HA       SER 101 -23.263  -4.641   6.150
  765   1HB   SER 101          HB2       SER 101 -22.499  -6.453   4.626
  766   2HB   SER 101          HB1       SER 101 -21.792  -5.240   3.560
  767    HG   SER 101           HG       SER 101 -20.982  -4.975   6.152
  768    H    THR 102           HN       THR 102 -23.143  -2.527   6.809
  769    HA   THR 102           HA       THR 102 -22.555  -0.398   5.065
  770    HB   THR 102           HB       THR 102 -23.828   0.114   7.006
  771    HG1  THR 102           HG1      THR 102 -22.445   1.762   7.955
  772   1HG2  THR 102          HG21      THR 102 -23.044  -0.220   9.246
  773   2HG2  THR 102          HG22      THR 102 -21.466  -0.747   8.658
  774   3HG2  THR 102          HG23      THR 102 -22.892  -1.741   8.366
  775    H    THR 103           HN       THR 103 -20.564  -2.737   6.311
  776    HA   THR 103           HA       THR 103 -18.235  -0.970   6.029
  777    HB   THR 103           HB       THR 103 -17.013  -2.498   7.465
  778    HG1  THR 103           HG1      THR 103 -18.233  -4.409   6.990
  779   1HG2  THR 103          HG21      THR 103 -18.244  -2.073   9.588
  780   2HG2  THR 103          HG22      THR 103 -19.616  -1.525   8.622
  781   3HG2  THR 103          HG23      THR 103 -18.085  -0.652   8.556
  782    H    SER 104           HN       SER 104 -16.395  -1.844   4.925
  783    HA   SER 104           HA       SER 104 -16.719  -4.376   3.560
  784   1HB   SER 104          HB2       SER 104 -16.513  -1.711   2.154
  785   2HB   SER 104          HB1       SER 104 -15.987  -3.208   1.385
  786    HG   SER 104           HG       SER 104 -18.245  -3.914   2.122
  787    H    ARG 105           HN       ARG 105 -14.924  -5.392   4.016
  788    HA   ARG 105           HA       ARG 105 -12.486  -3.898   4.626
  789   1HB   ARG 105          HB2       ARG 105 -13.071  -6.844   4.960
  790   2HB   ARG 105          HB1       ARG 105 -11.652  -5.995   5.558
  791   1HG   ARG 105          HG2       ARG 105 -13.091  -4.641   7.013
  792   2HG   ARG 105          HG1       ARG 105 -14.496  -5.537   6.434
  793   1HD   ARG 105          HD2       ARG 105 -12.128  -6.711   7.884
  794   2HD   ARG 105          HD1       ARG 105 -13.713  -6.389   8.588
  795    HE   ARG 105           HE       ARG 105 -13.736  -8.128   6.280
  796   1HH1  ARG 105          HH11      ARG 105 -13.544  -7.913   9.753
  797   2HH1  ARG 105          HH12      ARG 105 -14.083  -9.538  10.012
  798   1HH2  ARG 105          HH21      ARG 105 -14.448 -10.267   6.612
  799   2HH2  ARG 105          HH22      ARG 105 -14.598 -10.877   8.226
  800    H    CYS 106           HN       CYS 106 -10.541  -4.206   3.626
  801    HA   CYS 106           HA       CYS 106 -10.692  -5.238   0.915
  802   1HB   CYS 106          HB2       CYS 106  -9.172  -3.175   2.281
  803   2HB   CYS 106          HB1       CYS 106  -8.110  -4.240   1.367
  804    H    GLU 107           HN       GLU 107 -10.166  -7.299   0.595
  805    HA   GLU 107           HA       GLU 107  -8.228  -8.539   2.422
  806   1HB   GLU 107          HB2       GLU 107 -10.588  -9.345   2.578
  807   2HB   GLU 107          HB1       GLU 107 -10.460  -9.901   0.913
  808   1HG   GLU 107          HG2       GLU 107  -8.642 -11.408   1.558
  809   2HG   GLU 107          HG1       GLU 107  -8.802 -10.871   3.230
  810    H    VAL 108           HN       VAL 108  -7.112 -10.418   1.444
  811    HA   VAL 108           HA       VAL 108  -6.622 -10.042  -1.435
  812    HB   VAL 108           HB       VAL 108  -4.610  -9.914   0.755
  813   1HG1  VAL 108          HG11      VAL 108  -3.938 -10.730  -2.072
  814   2HG1  VAL 108          HG12      VAL 108  -3.897 -11.807  -0.675
  815   3HG1  VAL 108          HG13      VAL 108  -2.795 -10.432  -0.762
  816   1HG2  VAL 108          HG21      VAL 108  -5.551  -7.905  -0.406
  817   2HG2  VAL 108          HG22      VAL 108  -4.760  -8.469  -1.880
  818   3HG2  VAL 108          HG23      VAL 108  -3.794  -8.044  -0.466
  819    H    GLN 109           HN       GLN 109  -6.588 -11.767  -2.589
  820    HA   GLN 109           HA       GLN 109  -5.982 -14.362  -1.346
  821   1HB   GLN 109          HB2       GLN 109  -7.738 -15.334  -2.879
  822   2HB   GLN 109          HB1       GLN 109  -8.350 -14.332  -1.570
  823   1HG   GLN 109          HG2       GLN 109  -8.519 -12.441  -3.162
  824   2HG   GLN 109          HG1       GLN 109  -8.048 -13.543  -4.456
  825   1HE2  GLN 109          HE21      GLN 109 -10.566 -12.593  -2.267
  826   2HE2  GLN 109          HE22      GLN 109 -11.824 -13.533  -2.984
  827    H    ASP 110           HN       ASP 110  -4.642 -15.657  -2.456
  828    HA   ASP 110           HA       ASP 110  -3.156 -16.371  -4.004
  829   1HB   ASP 110          HB2       ASP 110  -5.138 -15.044  -5.835
  830   2HB   ASP 110          HB1       ASP 110  -3.753 -15.959  -6.426
  831    H    ARG 111           HN       ARG 111  -3.797 -13.670  -6.082
  832    HA   ARG 111           HA       ARG 111  -1.801 -11.959  -5.023
  833   1HB   ARG 111          HB2       ARG 111  -0.225 -12.148  -6.936
  834   2HB   ARG 111          HB1       ARG 111  -0.300 -13.593  -5.938
  835   1HG   ARG 111          HG2       ARG 111  -1.729 -14.681  -7.570
  836   2HG   ARG 111          HG1       ARG 111  -1.707 -13.227  -8.570
  837   1HD   ARG 111          HD2       ARG 111   0.707 -13.448  -8.851
  838   2HD   ARG 111          HD1       ARG 111   0.703 -14.883  -7.827
  839    HE   ARG 111           HE       ARG 111  -1.084 -15.333  -9.913
  840   1HH1  ARG 111          HH11      ARG 111   2.334 -14.833  -9.463
  841   2HH1  ARG 111          HH12      ARG 111   2.785 -15.778 -10.842
  842   1HH2  ARG 111          HH21      ARG 111  -0.500 -16.579 -11.732
  843   2HH2  ARG 111          HH22      ARG 111   1.175 -16.769 -12.133
  844    H    GLY 112           HN       GLY 112  -3.405 -10.427  -5.198
  845   1HA   GLY 112          HA2       GLY 112  -3.445  -8.626  -7.166
  846   2HA   GLY 112          HA1       GLY 112  -4.556  -9.831  -7.802
  847    H    VAL 113           HN       VAL 113  -4.517  -9.687  -4.448
  848    HA   VAL 113           HA       VAL 113  -5.956  -8.983  -2.868
  849    HB   VAL 113           HB       VAL 113  -6.859  -6.731  -4.619
  850   1HG1  VAL 113          HG11      VAL 113  -7.910  -6.946  -2.450
  851   2HG1  VAL 113          HG12      VAL 113  -6.891  -5.507  -2.504
  852   3HG1  VAL 113          HG13      VAL 113  -6.330  -6.954  -1.669
  853   1HG2  VAL 113          HG21      VAL 113  -4.185  -7.052  -3.268
  854   2HG2  VAL 113          HG22      VAL 113  -4.845  -5.478  -3.723
  855   3HG2  VAL 113          HG23      VAL 113  -4.510  -6.686  -4.964
  856    H    GLY 114           HN       GLY 114  -8.081  -9.369  -2.249
  857   1HA   GLY 114          HA2       GLY 114  -9.910  -9.890  -4.487
  858   2HA   GLY 114          HA1       GLY 114  -9.611 -11.145  -3.312
  859    H    TRP 115           HN       TRP 115 -11.101  -7.969  -3.758
  860    HA   TRP 115           HA       TRP 115 -12.239  -7.336  -1.457
  861   1HB   TRP 115          HB2       TRP 115 -13.217  -7.235  -4.224
  862   2HB   TRP 115          HB1       TRP 115 -14.494  -7.195  -3.017
  863    HD1  TRP 115           HD1      TRP 115 -12.457  -4.910  -4.919
  864    HE1  TRP 115           HE1      TRP 115 -12.338  -2.590  -3.810
  865    HE3  TRP 115           HE3      TRP 115 -14.191  -6.134  -0.266
  866    HZ2  TRP 115           HZ2      TRP 115 -12.897  -1.433  -1.302
  867    HZ3  TRP 115           HZ3      TRP 115 -14.366  -4.357   1.429
  868    HH2  TRP 115           HH2      TRP 115 -13.732  -2.057   0.919
  869    H    SER 116           HN       SER 116 -14.091  -7.822  -0.235
  870    HA   SER 116           HA       SER 116 -14.879 -10.643  -0.393
  871   1HB   SER 116          HB2       SER 116 -15.173  -8.686   1.903
  872   2HB   SER 116          HB1       SER 116 -15.558 -10.407   1.953
  873    HG   SER 116           HG       SER 116 -12.982  -9.464   1.272
  874    H    HIS 117           HN       HIS 117 -16.151  -7.361  -0.254
  875    HA   HIS 117           HA       HIS 117 -18.581  -8.141  -1.553
  876   1HB   HIS 117          HB2       HIS 117 -19.012  -8.747   0.852
  877   2HB   HIS 117          HB1       HIS 117 -18.838  -7.043   1.252
  878    HD1  HIS 117           HD1      HIS 117 -21.206  -9.494  -0.212
  879    HD2  HIS 117           HD2      HIS 117 -20.961  -5.388   0.364
  880    HE1  HIS 117           HE1      HIS 117 -23.525  -8.618  -0.630
  881    HE2  HIS 117           HE2      HIS 117 -23.363  -6.135  -0.237
  882    HA   PRO 118           HA       PRO 118 -18.043  -3.813  -2.515
  883   1HB   PRO 118          HB2       PRO 118 -19.606  -3.787  -4.703
  884   2HB   PRO 118          HB1       PRO 118 -18.039  -4.599  -4.682
  885   1HG   PRO 118          HG2       PRO 118 -20.745  -5.751  -4.714
  886   2HG   PRO 118          HG1       PRO 118 -19.205  -6.486  -5.185
  887   1HD   PRO 118          HD2       PRO 118 -20.650  -6.769  -2.704
  888   2HD   PRO 118          HD1       PRO 118 -19.156  -7.585  -3.210
  889    H    LEU 119           HN       LEU 119 -20.303  -2.613  -3.964
  890    HA   LEU 119           HA       LEU 119 -21.554  -1.166  -2.054
  891   1HB   LEU 119          HB2       LEU 119 -23.086  -2.009  -4.484
  892   2HB   LEU 119          HB1       LEU 119 -23.060  -0.462  -3.676
  893    HG   LEU 119           HG       LEU 119 -21.921  -0.032  -5.635
  894   1HD1  LEU 119          HD11      LEU 119 -19.566   0.273  -5.044
  895   2HD1  LEU 119          HD12      LEU 119 -19.799  -0.766  -3.637
  896   3HD1  LEU 119          HD13      LEU 119 -20.653   0.774  -3.749
  897   1HD2  LEU 119          HD21      LEU 119 -20.479  -2.652  -5.315
  898   2HD2  LEU 119          HD22      LEU 119 -20.220  -1.489  -6.614
  899   3HD2  LEU 119          HD23      LEU 119 -21.776  -2.302  -6.458
  900    HA   PRO 120           HA       PRO 120 -24.476  -3.919  -0.147
  901   1HB   PRO 120          HB2       PRO 120 -25.740  -1.701   1.157
  902   2HB   PRO 120          HB1       PRO 120 -24.541  -2.808   1.826
  903   1HG   PRO 120          HG2       PRO 120 -24.099  -0.129   1.352
  904   2HG   PRO 120          HG1       PRO 120 -22.824  -1.355   1.461
  905   1HD   PRO 120          HD2       PRO 120 -24.098  -0.155  -0.967
  906   2HD   PRO 120          HD1       PRO 120 -22.389  -0.548  -0.669
  907    H    GLN 121           HN       GLN 121 -26.984  -2.205   0.621
  908    HA   GLN 121           HA       GLN 121 -28.277  -2.130  -2.007
  909   1HB   GLN 121          HB2       GLN 121 -28.586  -4.322  -0.481
  910   2HB   GLN 121          HB1       GLN 121 -29.854  -3.318   0.206
  911   1HG   GLN 121          HG2       GLN 121 -29.580  -4.001  -2.712
  912   2HG   GLN 121          HG1       GLN 121 -30.666  -4.799  -1.576
  913   1HE2  GLN 121          HE21      GLN 121 -31.307  -2.349  -0.162
  914   2HE2  GLN 121          HE22      GLN 121 -32.364  -1.454  -1.194
  915    H    CYS 122           HN       CYS 122 -29.101  -0.121  -2.207
  916    HA   CYS 122           HA       CYS 122 -30.028   1.233   0.227
  917   1HB   CYS 122          HB2       CYS 122 -29.322   2.280  -2.520
  918   2HB   CYS 122          HB1       CYS 122 -30.097   3.269  -1.287
  919    H    GLU 123           HN       GLU 123 -32.118   0.829   0.659
  920    HA   GLU 123           HA       GLU 123 -34.059   0.888  -1.565
  921   1HB   GLU 123          HB2       GLU 123 -33.818  -1.391  -0.690
  922   2HB   GLU 123          HB1       GLU 123 -34.105  -0.804   0.942
  923   1HG   GLU 123          HG2       GLU 123 -36.361  -0.138   0.320
  924   2HG   GLU 123          HG1       GLU 123 -36.077  -0.697  -1.328
  925    H    ILE 124           HN       ILE 124 -35.920   1.954  -1.239
  926    HA   ILE 124           HA       ILE 124 -35.855   4.233   0.365
  927    HB   ILE 124           HB       ILE 124 -37.245   3.853  -1.713
  928   1HG1  ILE 124          HG12      ILE 124 -38.712   4.979   0.677
  929   2HG1  ILE 124          HG11      ILE 124 -37.450   5.829  -0.203
  930   1HG2  ILE 124          HG21      ILE 124 -39.141   2.579   0.257
  931   2HG2  ILE 124          HG22      ILE 124 -38.260   1.731  -1.013
  932   3HG2  ILE 124          HG23      ILE 124 -39.477   2.933  -1.438
  933   1HD1  ILE 124          HD11      ILE 124 -38.830   5.754  -2.223
  934   2HD1  ILE 124          HD12      ILE 124 -39.625   6.598  -0.895
  935   3HD1  ILE 124          HD13      ILE 124 -40.105   4.952  -1.307
  936    H    LEU 125           HN       LEU 125 -36.994   4.844   2.210
  937    HA   LEU 125           HA       LEU 125 -37.205   2.863   4.232
  938   1HB   LEU 125          HB2       LEU 125 -38.108   5.743   4.175
  939   2HB   LEU 125          HB1       LEU 125 -38.124   4.735   5.608
  940    HG   LEU 125           HG       LEU 125 -35.603   5.331   4.064
  941   1HD1  LEU 125          HD11      LEU 125 -36.563   7.432   4.849
  942   2HD1  LEU 125          HD12      LEU 125 -35.115   7.015   5.763
  943   3HD1  LEU 125          HD13      LEU 125 -36.709   6.765   6.476
  944   1HD2  LEU 125          HD21      LEU 125 -36.051   4.370   6.886
  945   2HD2  LEU 125          HD22      LEU 125 -34.495   4.612   6.091
  946   3HD2  LEU 125          HD23      LEU 125 -35.588   3.349   5.524
  947    H    GLU 126           HN       GLU 126 -39.413   3.404   5.698
  948    HA   GLU 126           HA       GLU 126 -41.555   2.361   3.990
  949   1HB   GLU 126          HB2       GLU 126 -42.599   1.580   6.069
  950   2HB   GLU 126          HB1       GLU 126 -40.964   0.958   5.894
  951   1HG   GLU 126          HG2       GLU 126 -41.585   3.395   7.530
  952   2HG   GLU 126          HG1       GLU 126 -41.661   1.763   8.193
  953    H    HIS 127           HN       HIS 127 -40.554   5.244   5.182
  954    HA   HIS 127           HA       HIS 127 -43.301   6.259   5.499
  955   1HB   HIS 127          HB2       HIS 127 -41.920   6.584   7.498
  956   2HB   HIS 127          HB1       HIS 127 -40.710   7.430   6.537
  957    HD1  HIS 127           HD1      HIS 127 -41.142   9.878   5.987
  958    HD2  HIS 127           HD2      HIS 127 -44.301   8.056   7.979
  959    HE1  HIS 127           HE1      HIS 127 -42.688  11.749   6.648
  960    HE2  HIS 127           HE2      HIS 127 -44.550  10.631   7.924
  961    H    HIS 128           HN       HIS 128 -44.037   7.794   4.148
  962    HA   HIS 128           HA       HIS 128 -42.200   9.346   2.523
  963   1HB   HIS 128          HB2       HIS 128 -43.403   8.716   0.413
  964   2HB   HIS 128          HB1       HIS 128 -42.433   7.423   1.110
  965    HD1  HIS 128           HD1      HIS 128 -45.982   8.439   0.485
  966    HD2  HIS 128           HD2      HIS 128 -43.861   5.196   1.987
  967    HE1  HIS 128           HE1      HIS 128 -47.652   6.566   0.659
  968    HE2  HIS 128           HE2      HIS 128 -46.332   4.594   1.507
  969    H    HIS 129           HN       HIS 129 -43.078  11.255   1.747
  970    HA   HIS 129           HA       HIS 129 -45.893  11.786   2.405
  971   1HB   HIS 129          HB2       HIS 129 -45.275  13.999   3.285
  972   2HB   HIS 129          HB1       HIS 129 -44.532  12.704   4.220
  973    HD1  HIS 129           HD1      HIS 129 -43.740  15.811   2.584
  974    HD2  HIS 129           HD2      HIS 129 -41.704  12.281   3.393
  975    HE1  HIS 129           HE1      HIS 129 -41.300  16.377   2.365
  976    HE2  HIS 129           HE2      HIS 129 -40.092  14.202   2.764
  977    H    HIS 130           HN       HIS 130 -43.857  11.498  -0.018
  978    HA   HIS 130           HA       HIS 130 -44.152  13.968  -1.421
  979   1HB   HIS 130          HB2       HIS 130 -43.198  12.778  -3.325
  980   2HB   HIS 130          HB1       HIS 130 -42.288  12.413  -1.862
  981    HD1  HIS 130           HD1      HIS 130 -44.044  10.829  -4.627
  982    HD2  HIS 130           HD2      HIS 130 -42.933   9.779  -0.764
  983    HE1  HIS 130           HE1      HIS 130 -44.208   8.320  -4.539
  984    HE2  HIS 130           HE2      HIS 130 -43.615   7.716  -2.166
  985    H    HIS 131           HN       HIS 131 -46.276  11.455  -0.765
  986    HA   HIS 131           HA       HIS 131 -48.102  12.405  -2.854
  987   1HB   HIS 131          HB2       HIS 131 -47.088  10.281  -3.634
  988   2HB   HIS 131          HB1       HIS 131 -47.682   9.483  -2.181
  989    HD1  HIS 131           HD1      HIS 131 -50.188   8.917  -2.078
  990    HD2  HIS 131           HD2      HIS 131 -49.038  10.828  -5.584
  991    HE1  HIS 131           HE1      HIS 131 -52.139   8.676  -3.647
  992    HE2  HIS 131           HE2      HIS 131 -51.441   9.886  -5.743
  993    H    HIS 132           HN       HIS 132 -50.201  12.600  -2.226
  994    HA   HIS 132           HA       HIS 132 -50.745  12.524   0.584
  995   1HB   HIS 132          HB2       HIS 132 -52.607  13.064  -1.740
  996   2HB   HIS 132          HB1       HIS 132 -52.968  13.371  -0.044
  997    HD1  HIS 132           HD1      HIS 132 -51.680  14.990  -2.990
  998    HD2  HIS 132           HD2      HIS 132 -51.079  15.364   1.104
  999    HE1  HIS 132           HE1      HIS 132 -50.647  17.260  -2.666
 1000    HE2  HIS 132           HE2      HIS 132 -50.302  17.469  -0.180
  Start of MODEL    2
    1   1H    MET   0           HT1      MET   0  33.442  -2.660  -1.246
    2   2H    MET   0           HT2      MET   0  32.115  -3.088  -0.289
    3   3H    MET   0           HT3      MET   0  33.683  -3.470   0.220
    4    HA   MET   0           HA       MET   0  32.799  -1.583   1.435
    5   1HB   MET   0          HB2       MET   0  35.213  -1.753   1.077
    6   2HB   MET   0          HB1       MET   0  35.057  -0.925  -0.466
    7   1HG   MET   0          HG2       MET   0  34.343   1.097   0.651
    8   2HG   MET   0          HG1       MET   0  34.387   0.276   2.210
    9   1HE   MET   0          HE1       MET   0  36.713  -0.437   3.458
   10   2HE   MET   0          HE2       MET   0  38.231  -0.489   2.561
   11   3HE   MET   0          HE3       MET   0  36.871  -1.491   2.054
   12    H    ASN   1           HN       ASN   1  30.980  -0.464   1.159
   13    HA   ASN   1           HA       ASN   1  29.531   1.127   0.441
   14   1HB   ASN   1          HB2       ASN   1  32.063   2.115  -0.850
   15   2HB   ASN   1          HB1       ASN   1  30.525   2.940  -1.102
   16   1HD2  ASN   1          HD21      ASN   1  29.575   4.039   0.578
   17   2HD2  ASN   1          HD22      ASN   1  30.403   4.406   2.048
   18    H    CYS   2           HN       CYS   2  27.938   1.117  -1.021
   19    HA   CYS   2           HA       CYS   2  28.319  -0.504  -3.411
   20   1HB   CYS   2          HB2       CYS   2  25.748   0.694  -2.373
   21   2HB   CYS   2          HB1       CYS   2  25.923  -0.604  -3.546
   22    H    GLY   3           HN       GLY   3  26.618   0.377  -5.233
   23   1HA   GLY   3          HA2       GLY   3  27.781   2.882  -6.108
   24   2HA   GLY   3          HA1       GLY   3  26.664   1.871  -7.020
   25    HA   PRO   4           HA       PRO   4  24.777   5.945  -5.077
   26   1HB   PRO   4          HB2       PRO   4  23.963   5.971  -7.958
   27   2HB   PRO   4          HB1       PRO   4  24.284   7.327  -6.870
   28   1HG   PRO   4          HG2       PRO   4  26.111   6.557  -8.654
   29   2HG   PRO   4          HG1       PRO   4  26.587   7.080  -7.029
   30   1HD   PRO   4          HD2       PRO   4  26.542   4.352  -8.198
   31   2HD   PRO   4          HD1       PRO   4  27.573   5.018  -6.917
   32    HA   PRO   5           HA       PRO   5  21.313   3.250  -4.166
   33   1HB   PRO   5          HB2       PRO   5  20.178   5.960  -3.593
   34   2HB   PRO   5          HB1       PRO   5  20.062   4.471  -2.647
   35   1HG   PRO   5          HG2       PRO   5  21.780   6.368  -1.949
   36   2HG   PRO   5          HG1       PRO   5  22.240   4.657  -1.849
   37   1HD   PRO   5          HD2       PRO   5  23.064   6.733  -3.816
   38   2HD   PRO   5          HD1       PRO   5  23.963   5.325  -3.212
   39    HA   PRO   6           HA       PRO   6  19.171   3.708  -8.085
   40   1HB   PRO   6          HB2       PRO   6  17.525   1.548  -7.687
   41   2HB   PRO   6          HB1       PRO   6  19.178   1.432  -8.300
   42   1HG   PRO   6          HG2       PRO   6  18.128   0.949  -5.547
   43   2HG   PRO   6          HG1       PRO   6  19.389   0.081  -6.439
   44   1HD   PRO   6          HD2       PRO   6  19.938   1.890  -4.499
   45   2HD   PRO   6          HD1       PRO   6  21.011   1.603  -5.883
   46    H    THR   7           HN       THR   7  16.793   3.352  -8.659
   47    HA   THR   7           HA       THR   7  15.164   5.074  -6.904
   48    HB   THR   7           HB       THR   7  14.662   4.450  -9.816
   49    HG1  THR   7           HG1      THR   7  15.612   6.955  -9.228
   50   1HG2  THR   7          HG21      THR   7  13.722   6.749  -8.100
   51   2HG2  THR   7          HG22      THR   7  12.767   5.304  -8.434
   52   3HG2  THR   7          HG23      THR   7  13.227   6.381  -9.753
   53    H    LEU   8           HN       LEU   8  14.897   2.837  -5.700
   54    HA   LEU   8           HA       LEU   8  13.701   0.606  -6.862
   55   1HB   LEU   8          HB2       LEU   8  13.444   1.701  -4.063
   56   2HB   LEU   8          HB1       LEU   8  12.880   0.118  -4.557
   57    HG   LEU   8           HG       LEU   8  15.279  -0.397  -5.212
   58   1HD1  LEU   8          HD11      LEU   8  16.187   1.813  -5.348
   59   2HD1  LEU   8          HD12      LEU   8  16.983   0.974  -4.017
   60   3HD1  LEU   8          HD13      LEU   8  15.721   2.160  -3.684
   61   1HD2  LEU   8          HD21      LEU   8  14.249  -1.293  -3.206
   62   2HD2  LEU   8          HD22      LEU   8  14.641   0.184  -2.324
   63   3HD2  LEU   8          HD23      LEU   8  15.934  -0.870  -2.898
   64    H    SER   9           HN       SER   9  11.785   0.340  -7.774
   65    HA   SER   9           HA       SER   9   9.798   2.377  -7.748
   66   1HB   SER   9          HB2       SER   9   9.542  -0.493  -8.684
   67   2HB   SER   9          HB1       SER   9   8.474   0.845  -9.109
   68    HG   SER   9           HG       SER   9  11.005   1.517  -9.657
   69    H    PHE  10           HN       PHE  10  10.468  -0.329  -5.744
   70    HA   PHE  10           HA       PHE  10   7.814  -0.687  -4.718
   71   1HB   PHE  10          HB2       PHE  10  10.444  -1.540  -3.498
   72   2HB   PHE  10          HB1       PHE  10   8.851  -2.138  -3.061
   73    HD1  PHE  10           HD1      PHE  10  11.479  -2.188  -5.620
   74    HD2  PHE  10           HD2      PHE  10   7.748  -3.798  -4.356
   75    HE1  PHE  10           HE1      PHE  10  11.720  -4.015  -7.249
   76    HE2  PHE  10           HE2      PHE  10   7.978  -5.625  -5.988
   77    HZ   PHE  10           HZ       PHE  10   9.966  -5.737  -7.436
   78    H    ALA  11           HN       ALA  11  10.306   1.565  -4.169
   79    HA   ALA  11           HA       ALA  11   8.830   2.692  -1.912
   80   1HB   ALA  11          HB1       ALA  11  11.756   1.995  -1.771
   81   2HB   ALA  11          HB2       ALA  11  10.449   1.253  -0.848
   82   3HB   ALA  11          HB3       ALA  11  10.873   2.943  -0.574
   83    H    ALA  12           HN       ALA  12  10.906   4.434  -1.197
   84    HA   ALA  12           HA       ALA  12  11.707   6.057  -3.369
   85   1HB   ALA  12          HB1       ALA  12   9.319   6.601  -3.448
   86   2HB   ALA  12          HB2       ALA  12  10.284   8.000  -2.972
   87   3HB   ALA  12          HB3       ALA  12   9.376   7.100  -1.757
   88    HA   PRO  13           HA       PRO  13  14.680   7.172  -0.278
   89   1HB   PRO  13          HB2       PRO  13  14.581   9.835  -1.624
   90   2HB   PRO  13          HB1       PRO  13  15.979   8.835  -1.211
   91   1HG   PRO  13          HG2       PRO  13  15.103   8.964  -3.721
   92   2HG   PRO  13          HG1       PRO  13  15.675   7.430  -3.038
   93   1HD   PRO  13          HD2       PRO  13  12.889   8.345  -3.577
   94   2HD   PRO  13          HD1       PRO  13  13.583   6.716  -3.688
   95    H    MET  14           HN       MET  14  14.660   8.091   1.709
   96    HA   MET  14           HA       MET  14  12.846  10.298   2.285
   97   1HB   MET  14          HB2       MET  14  11.509   8.238   2.598
   98   2HB   MET  14          HB1       MET  14  12.693   7.666   3.763
   99   1HG   MET  14          HG2       MET  14  10.880   8.527   4.998
  100   2HG   MET  14          HG1       MET  14  12.187   9.702   5.133
  101   1HE   MET  14          HE1       MET  14  11.841  12.191   4.750
  102   2HE   MET  14          HE2       MET  14  10.979  12.792   3.334
  103   3HE   MET  14          HE3       MET  14  12.336  11.683   3.137
  104    H    ASP  15           HN       ASP  15  15.717   8.636   2.775
  105    HA   ASP  15           HA       ASP  15  16.528  10.531   4.828
  106   1HB   ASP  15          HB2       ASP  15  15.674   8.481   6.016
  107   2HB   ASP  15          HB1       ASP  15  16.966   7.570   5.243
  108    H    ILE  16           HN       ILE  16  17.485  11.049   2.606
  109    HA   ILE  16           HA       ILE  16  20.240  10.367   2.654
  110    HB   ILE  16           HB       ILE  16  19.537   8.372   1.559
  111   1HG1  ILE  16          HG12      ILE  16  20.577  10.360  -0.467
  112   2HG1  ILE  16          HG11      ILE  16  21.554   9.383   0.625
  113   1HG2  ILE  16          HG21      ILE  16  18.219   8.475  -0.560
  114   2HG2  ILE  16          HG22      ILE  16  17.942  10.187  -0.231
  115   3HG2  ILE  16          HG23      ILE  16  17.335   8.963   0.886
  116   1HD1  ILE  16          HD11      ILE  16  19.881   8.419  -1.679
  117   2HD1  ILE  16          HD12      ILE  16  20.669   7.356  -0.512
  118   3HD1  ILE  16          HD13      ILE  16  21.640   8.406  -1.545
  119    H    THR  17           HN       THR  17  17.546  11.758   1.002
  120    HA   THR  17           HA       THR  17  17.223  13.693  -0.126
  121    HB   THR  17           HB       THR  17  19.925  14.574   0.873
  122    HG1  THR  17           HG1      THR  17  18.055  15.515   2.464
  123   1HG2  THR  17          HG21      THR  17  17.418  16.150   0.258
  124   2HG2  THR  17          HG22      THR  17  18.829  16.030  -0.796
  125   3HG2  THR  17          HG23      THR  17  18.967  16.813   0.778
  126    H    LEU  18           HN       LEU  18  19.044  11.424  -1.013
  127    HA   LEU  18           HA       LEU  18  20.536  10.892  -2.677
  128   1HB   LEU  18          HB2       LEU  18  18.094  11.247  -3.536
  129   2HB   LEU  18          HB1       LEU  18  18.789  12.617  -4.364
  130    HG   LEU  18           HG       LEU  18  18.845  10.925  -5.975
  131   1HD1  LEU  18          HD11      LEU  18  21.222  10.234  -6.182
  132   2HD1  LEU  18          HD12      LEU  18  21.503  10.883  -4.564
  133   3HD1  LEU  18          HD13      LEU  18  21.005  11.957  -5.870
  134   1HD2  LEU  18          HD21      LEU  18  18.200   9.107  -4.448
  135   2HD2  LEU  18          HD22      LEU  18  19.864   9.022  -3.868
  136   3HD2  LEU  18          HD23      LEU  18  19.493   8.629  -5.548
  137    H    THR  19           HN       THR  19  22.325  12.127  -1.882
  138    HA   THR  19           HA       THR  19  23.131  14.208  -3.746
  139    HB   THR  19           HB       THR  19  22.514  15.765  -2.214
  140    HG1  THR  19           HG1      THR  19  24.481  16.428  -1.826
  141   1HG2  THR  19          HG21      THR  19  23.147  13.933   0.084
  142   2HG2  THR  19          HG22      THR  19  21.582  13.949  -0.731
  143   3HG2  THR  19          HG23      THR  19  22.163  15.396   0.099
  144    H    GLU  20           HN       GLU  20  23.794  11.657  -1.594
  145    HA   GLU  20           HA       GLU  20  26.664  11.997  -1.583
  146   1HB   GLU  20          HB2       GLU  20  25.108  10.903   0.224
  147   2HB   GLU  20          HB1       GLU  20  25.275   9.468  -0.776
  148   1HG   GLU  20          HG2       GLU  20  27.599   9.364  -0.426
  149   2HG   GLU  20          HG1       GLU  20  27.647  10.994   0.244
  150    H    THR  21           HN       THR  21  27.645   9.468  -1.987
  151    HA   THR  21           HA       THR  21  26.817   8.790  -4.729
  152    HB   THR  21           HB       THR  21  29.281   8.399  -5.220
  153    HG1  THR  21           HG1      THR  21  30.596   8.784  -3.619
  154   1HG2  THR  21          HG21      THR  21  28.436  11.254  -4.720
  155   2HG2  THR  21          HG22      THR  21  27.951  10.293  -6.116
  156   3HG2  THR  21          HG23      THR  21  29.650  10.698  -5.873
  157    H    ARG  22           HN       ARG  22  28.726   7.730  -1.916
  158    HA   ARG  22           HA       ARG  22  28.055   4.955  -2.637
  159   1HB   ARG  22          HB2       ARG  22  30.615   5.931  -1.380
  160   2HB   ARG  22          HB1       ARG  22  30.203   4.252  -1.697
  161   1HG   ARG  22          HG2       ARG  22  30.174   4.687  -4.088
  162   2HG   ARG  22          HG1       ARG  22  30.532   6.390  -3.793
  163   1HD   ARG  22          HD2       ARG  22  32.299   4.033  -3.158
  164   2HD   ARG  22          HD1       ARG  22  32.555   5.237  -4.422
  165    HE   ARG  22           HE       ARG  22  32.373   6.498  -1.903
  166   1HH1  ARG  22          HH11      ARG  22  34.514   4.530  -3.822
  167   2HH1  ARG  22          HH12      ARG  22  35.952   5.127  -3.062
  168   1HH2  ARG  22          HH21      ARG  22  34.258   7.288  -0.897
  169   2HH2  ARG  22          HH22      ARG  22  35.806   6.695  -1.398
  170    H    PHE  23           HN       PHE  23  27.855   3.481  -0.812
  171    HA   PHE  23           HA       PHE  23  27.544   4.682   1.838
  172   1HB   PHE  23          HB2       PHE  23  25.344   3.137   0.431
  173   2HB   PHE  23          HB1       PHE  23  25.309   3.667   2.109
  174    HD1  PHE  23           HD1      PHE  23  25.762   5.072  -1.307
  175    HD2  PHE  23           HD2      PHE  23  24.208   5.624   2.613
  176    HE1  PHE  23           HE1      PHE  23  24.786   7.204  -2.008
  177    HE2  PHE  23           HE2      PHE  23  23.214   7.763   1.918
  178    HZ   PHE  23           HZ       PHE  23  23.501   8.559  -0.395
  179    H    LYS  24           HN       LYS  24  28.983   3.447   2.905
  180    HA   LYS  24           HA       LYS  24  29.841   0.876   2.340
  181   1HB   LYS  24          HB2       LYS  24  30.288   0.756   4.867
  182   2HB   LYS  24          HB1       LYS  24  31.109   1.995   3.930
  183   1HG   LYS  24          HG2       LYS  24  29.417   3.631   4.664
  184   2HG   LYS  24          HG1       LYS  24  28.665   2.375   5.650
  185   1HD   LYS  24          HD2       LYS  24  31.510   3.335   5.942
  186   2HD   LYS  24          HD1       LYS  24  30.158   3.850   6.953
  187   1HE   LYS  24          HE2       LYS  24  31.151   1.016   6.666
  188   2HE   LYS  24          HE1       LYS  24  31.506   2.091   8.018
  189   1HZ   LYS  24          HZ1       LYS  24  29.668   0.508   8.437
  190   2HZ   LYS  24          HZ2       LYS  24  28.763   1.279   7.234
  191   3HZ   LYS  24          HZ3       LYS  24  29.219   2.127   8.624
  192    H    THR  25           HN       THR  25  29.517  -1.032   3.897
  193    HA   THR  25           HA       THR  25  26.815  -1.866   3.711
  194    HB   THR  25           HB       THR  25  27.629  -3.790   5.160
  195    HG1  THR  25           HG1      THR  25  29.814  -3.903   5.593
  196   1HG2  THR  25          HG21      THR  25  28.800  -4.872   3.368
  197   2HG2  THR  25          HG22      THR  25  29.319  -3.318   2.710
  198   3HG2  THR  25          HG23      THR  25  27.621  -3.780   2.638
  199    H    GLY  26           HN       GLY  26  25.605  -2.663   5.727
  200   1HA   GLY  26          HA2       GLY  26  24.621  -2.232   7.757
  201   2HA   GLY  26          HA1       GLY  26  26.173  -1.597   8.281
  202    H    THR  27           HN       THR  27  25.707   0.258   5.745
  203    HA   THR  27           HA       THR  27  24.932   2.566   7.162
  204    HB   THR  27           HB       THR  27  26.351   2.364   5.033
  205    HG1  THR  27           HG1      THR  27  25.679   4.506   4.426
  206   1HG2  THR  27          HG21      THR  27  23.767   2.858   3.613
  207   2HG2  THR  27          HG22      THR  27  24.320   1.208   3.885
  208   3HG2  THR  27          HG23      THR  27  25.322   2.333   2.960
  209    H    THR  28           HN       THR  28  22.935   0.362   7.039
  210    HA   THR  28           HA       THR  28  20.751   0.341   5.669
  211    HB   THR  28           HB       THR  28  20.600   0.972   8.608
  212    HG1  THR  28           HG1      THR  28  22.023  -0.827   7.906
  213   1HG2  THR  28          HG21      THR  28  18.720  -0.518   6.775
  214   2HG2  THR  28          HG22      THR  28  18.418   1.035   7.553
  215   3HG2  THR  28          HG23      THR  28  18.557  -0.427   8.529
  216    H    LEU  29           HN       LEU  29  19.350   1.621   4.708
  217    HA   LEU  29           HA       LEU  29  19.210   4.445   5.518
  218   1HB   LEU  29          HB2       LEU  29  18.577   3.089   2.900
  219   2HB   LEU  29          HB1       LEU  29  18.137   4.752   3.239
  220    HG   LEU  29           HG       LEU  29  20.657   5.100   3.713
  221   1HD1  LEU  29          HD11      LEU  29  22.063   3.561   2.304
  222   2HD1  LEU  29          HD12      LEU  29  20.672   2.477   2.239
  223   3HD1  LEU  29          HD13      LEU  29  21.422   2.856   3.789
  224   1HD2  LEU  29          HD21      LEU  29  19.703   4.546   0.906
  225   2HD2  LEU  29          HD22      LEU  29  21.088   5.541   1.358
  226   3HD2  LEU  29          HD23      LEU  29  19.456   6.045   1.801
  227    H    LYS  30           HN       LYS  30  16.811   5.190   4.395
  228    HA   LYS  30           HA       LYS  30  14.926   3.754   6.118
  229   1HB   LYS  30          HB2       LYS  30  15.346   6.543   5.473
  230   2HB   LYS  30          HB1       LYS  30  13.677   6.072   5.199
  231   1HG   LYS  30          HG2       LYS  30  15.187   5.618   7.764
  232   2HG   LYS  30          HG1       LYS  30  14.091   6.966   7.463
  233   1HD   LYS  30          HD2       LYS  30  13.294   4.062   7.300
  234   2HD   LYS  30          HD1       LYS  30  13.061   5.078   8.724
  235   1HE   LYS  30          HE2       LYS  30  11.859   5.493   5.990
  236   2HE   LYS  30          HE1       LYS  30  11.011   4.983   7.450
  237   1HZ   LYS  30          HZ1       LYS  30  10.637   7.305   7.090
  238   2HZ   LYS  30          HZ2       LYS  30  12.295   7.618   6.979
  239   3HZ   LYS  30          HZ3       LYS  30  11.624   7.133   8.453
  240    H    TYR  31           HN       TYR  31  14.232   5.763   3.295
  241    HA   TYR  31           HA       TYR  31  13.048   5.385   1.398
  242   1HB   TYR  31          HB2       TYR  31  14.033   2.606   1.968
  243   2HB   TYR  31          HB1       TYR  31  12.909   2.901   0.643
  244    HD1  TYR  31           HD1      TYR  31  16.266   3.748   1.954
  245    HD2  TYR  31           HD2      TYR  31  13.651   3.831  -1.400
  246    HE1  TYR  31           HE1      TYR  31  18.146   4.402   0.512
  247    HE2  TYR  31           HE2      TYR  31  15.524   4.486  -2.852
  248    HH   TYR  31           HH       TYR  31  18.763   4.309  -1.863
  249    H    THR  32           HN       THR  32  10.919   5.252   0.926
  250    HA   THR  32           HA       THR  32   9.196   3.797   2.820
  251    HB   THR  32           HB       THR  32   8.948   6.087   3.409
  252    HG1  THR  32           HG1      THR  32   6.774   6.289   3.082
  253   1HG2  THR  32          HG21      THR  32   8.415   7.843   1.794
  254   2HG2  THR  32          HG22      THR  32   8.504   6.672   0.478
  255   3HG2  THR  32          HG23      THR  32   9.953   7.076   1.401
  256    H    CYS  33           HN       CYS  33   7.670   2.536   1.951
  257    HA   CYS  33           HA       CYS  33   7.665   2.092  -0.872
  258   1HB   CYS  33          HB2       CYS  33   6.078   0.915   1.404
  259   2HB   CYS  33          HB1       CYS  33   5.842   0.429  -0.268
  260    H    LEU  34           HN       LEU  34   6.348   2.679  -2.339
  261    HA   LEU  34           HA       LEU  34   4.777   4.961  -2.194
  262   1HB   LEU  34          HB2       LEU  34   4.631   2.725  -4.212
  263   2HB   LEU  34          HB1       LEU  34   3.889   4.300  -4.413
  264    HG   LEU  34           HG       LEU  34   6.859   3.798  -4.139
  265   1HD1  LEU  34          HD11      LEU  34   6.987   4.351  -6.494
  266   2HD1  LEU  34          HD12      LEU  34   5.238   4.563  -6.563
  267   3HD1  LEU  34          HD13      LEU  34   5.921   2.966  -6.256
  268   1HD2  LEU  34          HD21      LEU  34   5.328   6.323  -4.755
  269   2HD2  LEU  34          HD22      LEU  34   7.083   6.149  -4.766
  270   3HD2  LEU  34          HD23      LEU  34   6.187   5.969  -3.256
  271    HA   PRO  35           HA       PRO  35   0.762   4.132  -0.638
  272   1HB   PRO  35          HB2       PRO  35  -0.348   4.998  -3.267
  273   2HB   PRO  35          HB1       PRO  35  -0.744   5.554  -1.637
  274   1HG   PRO  35          HG2       PRO  35   0.762   7.048  -3.240
  275   2HG   PRO  35          HG1       PRO  35   1.127   6.926  -1.509
  276   1HD   PRO  35          HD2       PRO  35   2.486   5.631  -3.832
  277   2HD   PRO  35          HD1       PRO  35   3.181   6.267  -2.329
  278    H    GLY  36           HN       GLY  36   0.548   1.973  -0.433
  279   1HA   GLY  36          HA2       GLY  36  -1.177   0.299  -1.150
  280   2HA   GLY  36          HA1       GLY  36  -0.521   0.505  -2.768
  281    H    TYR  37           HN       TYR  37   2.226   0.695  -1.782
  282    HA   TYR  37           HA       TYR  37   2.922  -2.058  -1.939
  283   1HB   TYR  37          HB2       TYR  37   4.421   0.478  -1.385
  284   2HB   TYR  37          HB1       TYR  37   5.195  -1.054  -1.005
  285    HD1  TYR  37           HD1      TYR  37   5.348  -2.786  -2.920
  286    HD2  TYR  37           HD2      TYR  37   4.558   1.350  -3.533
  287    HE1  TYR  37           HE1      TYR  37   6.066  -3.001  -5.263
  288    HE2  TYR  37           HE2      TYR  37   5.275   1.146  -5.875
  289    HH   TYR  37           HH       TYR  37   6.686  -0.320  -7.249
  290    H    VAL  38           HN       VAL  38   1.700  -3.035  -0.260
  291    HA   VAL  38           HA       VAL  38   2.134  -2.315   2.498
  292    HB   VAL  38           HB       VAL  38   0.346  -4.087   0.945
  293   1HG1  VAL  38          HG11      VAL  38   1.313  -5.729   2.412
  294   2HG1  VAL  38          HG12      VAL  38  -0.348  -5.384   2.898
  295   3HG1  VAL  38          HG13      VAL  38   1.001  -4.705   3.814
  296   1HG2  VAL  38          HG21      VAL  38  -0.036  -2.308   3.336
  297   2HG2  VAL  38          HG22      VAL  38  -1.321  -3.221   2.540
  298   3HG2  VAL  38          HG23      VAL  38  -0.460  -1.960   1.658
  299    H    ARG  39           HN       ARG  39   3.105  -3.653   4.056
  300    HA   ARG  39           HA       ARG  39   5.244  -5.276   3.034
  301   1HB   ARG  39          HB2       ARG  39   5.989  -5.444   5.336
  302   2HB   ARG  39          HB1       ARG  39   5.582  -3.775   4.963
  303   1HG   ARG  39          HG2       ARG  39   3.556  -3.902   6.186
  304   2HG   ARG  39          HG1       ARG  39   3.690  -5.655   6.348
  305   1HD   ARG  39          HD2       ARG  39   5.575  -3.631   7.550
  306   2HD   ARG  39          HD1       ARG  39   4.302  -4.488   8.419
  307    HE   ARG  39           HE       ARG  39   5.957  -6.379   7.193
  308   1HH1  ARG  39          HH11      ARG  39   6.090  -3.989   9.725
  309   2HH1  ARG  39          HH12      ARG  39   7.290  -4.839  10.640
  310   1HH2  ARG  39          HH21      ARG  39   7.538  -7.505   8.393
  311   2HH2  ARG  39          HH22      ARG  39   8.113  -6.836   9.883
  312    H    SER  40           HN       SER  40   5.674  -7.424   3.567
  313    HA   SER  40           HA       SER  40   3.808  -9.108   4.893
  314   1HB   SER  40          HB2       SER  40   2.532  -8.767   2.815
  315   2HB   SER  40          HB1       SER  40   3.921  -9.304   1.870
  316    HG   SER  40           HG       SER  40   3.692 -11.344   2.707
  317    H    HIS  41           HN       HIS  41   6.755  -8.337   3.732
  318    HA   HIS  41           HA       HIS  41   7.843 -10.958   4.405
  319   1HB   HIS  41          HB2       HIS  41   8.345  -9.538   1.791
  320   2HB   HIS  41          HB1       HIS  41   9.396 -10.805   2.413
  321    HD1  HIS  41           HD1      HIS  41   6.062 -10.250   0.841
  322    HD2  HIS  41           HD2      HIS  41   8.332 -13.409   2.300
  323    HE1  HIS  41           HE1      HIS  41   4.916 -12.334   0.024
  324    HE2  HIS  41           HE2      HIS  41   6.270 -14.235   0.976
  325    H    SER  42           HN       SER  42   9.994 -10.924   5.076
  326    HA   SER  42           HA       SER  42  11.688 -10.055   6.322
  327   1HB   SER  42          HB2       SER  42  11.737  -8.103   4.017
  328   2HB   SER  42          HB1       SER  42  13.062  -8.389   5.145
  329    HG   SER  42           HG       SER  42  12.171 -10.709   4.086
  330    H    THR  43           HN       THR  43  11.148  -6.853   5.126
  331    HA   THR  43           HA       THR  43   9.559  -5.908   7.294
  332    HB   THR  43           HB       THR  43  12.448  -5.079   7.427
  333    HG1  THR  43           HG1      THR  43  11.971  -6.414   9.575
  334   1HG2  THR  43          HG21      THR  43  11.761  -4.245   9.672
  335   2HG2  THR  43          HG22      THR  43  10.096  -4.674   9.277
  336   3HG2  THR  43          HG23      THR  43  10.936  -3.438   8.339
  337    H    GLN  44           HN       GLN  44  12.166  -3.834   6.569
  338    HA   GLN  44           HA       GLN  44  11.507  -2.707   4.127
  339   1HB   GLN  44          HB2       GLN  44   9.331  -2.184   5.161
  340   2HB   GLN  44          HB1       GLN  44  10.155  -1.286   6.428
  341   1HG   GLN  44          HG2       GLN  44  10.997   0.292   4.769
  342   2HG   GLN  44          HG1       GLN  44  10.178  -0.611   3.494
  343   1HE2  GLN  44          HE21      GLN  44   9.790   1.533   6.197
  344   2HE2  GLN  44          HE22      GLN  44   8.146   1.960   5.886
  345    H    THR  45           HN       THR  45  13.674  -2.355   3.930
  346    HA   THR  45           HA       THR  45  14.765   0.058   4.843
  347    HB   THR  45           HB       THR  45  16.710  -1.399   6.099
  348    HG1  THR  45           HG1      THR  45  14.936  -2.434   7.699
  349   1HG2  THR  45          HG21      THR  45  15.822   0.735   6.860
  350   2HG2  THR  45          HG22      THR  45  15.843  -0.428   8.185
  351   3HG2  THR  45          HG23      THR  45  14.327  -0.049   7.370
  352    H    LEU  46           HN       LEU  46  16.745   0.521   3.862
  353    HA   LEU  46           HA       LEU  46  17.662  -1.505   1.925
  354   1HB   LEU  46          HB2       LEU  46  16.873   1.247   1.579
  355   2HB   LEU  46          HB1       LEU  46  18.537   1.025   1.074
  356    HG   LEU  46           HG       LEU  46  16.107  -0.411   0.008
  357   1HD1  LEU  46          HD11      LEU  46  18.029   1.600  -1.131
  358   2HD1  LEU  46          HD12      LEU  46  16.279   1.736  -0.958
  359   3HD1  LEU  46          HD13      LEU  46  16.964   0.617  -2.137
  360   1HD2  LEU  46          HD21      LEU  46  17.615  -1.601  -1.472
  361   2HD2  LEU  46          HD22      LEU  46  17.995  -1.958   0.212
  362   3HD2  LEU  46          HD23      LEU  46  19.005  -0.836  -0.701
  363    H    THR  47           HN       THR  47  19.424  -2.391   2.865
  364    HA   THR  47           HA       THR  47  21.532  -0.550   3.810
  365    HB   THR  47           HB       THR  47  21.296  -3.409   4.720
  366    HG1  THR  47           HG1      THR  47  20.320  -2.344   6.662
  367   1HG2  THR  47          HG21      THR  47  23.426  -2.273   5.089
  368   2HG2  THR  47          HG22      THR  47  22.606  -2.581   6.620
  369   3HG2  THR  47          HG23      THR  47  22.593  -0.961   5.923
  370    H    CYS  48           HN       CYS  48  23.720  -1.150   3.372
  371    HA   CYS  48           HA       CYS  48  23.986  -2.629   0.914
  372   1HB   CYS  48          HB2       CYS  48  25.728  -0.829   2.523
  373   2HB   CYS  48          HB1       CYS  48  26.525  -2.013   1.499
  374    H    ASN  49           HN       ASN  49  24.290  -4.685   0.863
  375    HA   ASN  49           HA       ASN  49  25.417  -6.072   3.173
  376   1HB   ASN  49          HB2       ASN  49  24.643  -8.131   1.895
  377   2HB   ASN  49          HB1       ASN  49  23.367  -7.040   2.422
  378   1HD2  ASN  49          HD21      ASN  49  22.705  -5.396   0.794
  379   2HD2  ASN  49          HD22      ASN  49  22.598  -5.911  -0.851
  380    H    SER  50           HN       SER  50  26.741  -8.161   2.306
  381    HA   SER  50           HA       SER  50  29.005  -6.999   0.907
  382   1HB   SER  50          HB2       SER  50  29.494  -8.330   2.874
  383   2HB   SER  50          HB1       SER  50  28.624  -9.713   2.207
  384    HG   SER  50           HG       SER  50  30.213 -10.010   0.727
  385    H    ASP  51           HN       ASP  51  27.482  -6.812  -0.943
  386    HA   ASP  51           HA       ASP  51  27.943  -8.935  -2.906
  387   1HB   ASP  51          HB2       ASP  51  25.702  -9.339  -1.668
  388   2HB   ASP  51          HB1       ASP  51  25.150  -7.909  -2.541
  389    H    GLY  52           HN       GLY  52  28.042  -5.817  -2.049
  390   1HA   GLY  52          HA2       GLY  52  28.129  -3.823  -3.192
  391   2HA   GLY  52          HA1       GLY  52  28.542  -4.806  -4.589
  392    H    GLU  53           HN       GLU  53  25.630  -5.594  -3.164
  393    HA   GLU  53           HA       GLU  53  24.082  -3.868  -4.985
  394   1HB   GLU  53          HB2       GLU  53  22.743  -5.621  -5.685
  395   2HB   GLU  53          HB1       GLU  53  24.300  -6.426  -5.537
  396   1HG   GLU  53          HG2       GLU  53  23.677  -7.382  -3.433
  397   2HG   GLU  53          HG1       GLU  53  22.192  -6.436  -3.390
  398    H    TRP  54           HN       TRP  54  21.857  -3.467  -4.268
  399    HA   TRP  54           HA       TRP  54  21.780  -3.148  -1.409
  400   1HB   TRP  54          HB2       TRP  54  19.875  -2.234  -3.578
  401   2HB   TRP  54          HB1       TRP  54  19.793  -1.764  -1.888
  402    HD1  TRP  54           HD1      TRP  54  21.692  -1.032  -5.096
  403    HE1  TRP  54           HE1      TRP  54  23.208   1.017  -4.717
  404    HE3  TRP  54           HE3      TRP  54  21.122  -0.544  -0.061
  405    HZ2  TRP  54           HZ2      TRP  54  24.053   2.632  -2.548
  406    HZ3  TRP  54           HZ3      TRP  54  22.311   1.275   1.105
  407    HH2  TRP  54           HH2      TRP  54  23.745   2.827  -0.117
  408    H    VAL  55           HN       VAL  55  20.993  -4.680  -0.186
  409    HA   VAL  55           HA       VAL  55  19.097  -6.674  -1.235
  410    HB   VAL  55           HB       VAL  55  21.191  -6.655   0.880
  411   1HG1  VAL  55          HG11      VAL  55  19.166  -6.978   2.195
  412   2HG1  VAL  55          HG12      VAL  55  20.142  -8.446   2.144
  413   3HG1  VAL  55          HG13      VAL  55  18.693  -8.315   1.147
  414   1HG2  VAL  55          HG21      VAL  55  20.113  -8.946  -0.738
  415   2HG2  VAL  55          HG22      VAL  55  21.674  -8.828   0.085
  416   3HG2  VAL  55          HG23      VAL  55  21.347  -7.836  -1.339
  417    H    TYR  56           HN       TYR  56  17.085  -6.922  -0.282
  418    HA   TYR  56           HA       TYR  56  16.465  -5.799   2.209
  419   1HB   TYR  56          HB2       TYR  56  14.961  -3.935   1.415
  420   2HB   TYR  56          HB1       TYR  56  16.677  -3.661   1.116
  421    HD1  TYR  56           HD1      TYR  56  13.412  -4.064  -0.384
  422    HD2  TYR  56           HD2      TYR  56  17.586  -4.003  -1.199
  423    HE1  TYR  56           HE1      TYR  56  12.935  -3.749  -2.775
  424    HE2  TYR  56           HE2      TYR  56  17.121  -3.683  -3.592
  425    HH   TYR  56           HH       TYR  56  14.071  -2.836  -4.774
  426    H    ASN  57           HN       ASN  57  15.796  -7.772  -0.265
  427    HA   ASN  57           HA       ASN  57  14.046  -9.051  -0.985
  428   1HB   ASN  57          HB2       ASN  57  13.381  -8.733   1.945
  429   2HB   ASN  57          HB1       ASN  57  12.548  -9.857   0.877
  430   1HD2  ASN  57          HD21      ASN  57  15.526  -9.114   2.501
  431   2HD2  ASN  57          HD22      ASN  57  16.264 -10.660   2.286
  432    H    THR  58           HN       THR  58  11.363  -9.183  -0.381
  433    HA   THR  58           HA       THR  58  10.434  -6.679  -1.524
  434    HB   THR  58           HB       THR  58   8.707  -9.060  -0.862
  435    HG1  THR  58           HG1      THR  58   9.696 -10.123  -2.394
  436   1HG2  THR  58          HG21      THR  58   8.522  -6.847  -2.910
  437   2HG2  THR  58          HG22      THR  58   7.501  -7.059  -1.486
  438   3HG2  THR  58          HG23      THR  58   7.418  -8.219  -2.812
  439    H    PHE  59           HN       PHE  59  11.000  -5.571   0.559
  440    HA   PHE  59           HA       PHE  59   9.769  -6.003   2.991
  441   1HB   PHE  59          HB2       PHE  59   9.964  -3.432   3.235
  442   2HB   PHE  59          HB1       PHE  59  11.423  -4.393   3.061
  443    HD1  PHE  59           HD1      PHE  59  12.681  -2.439   2.435
  444    HD2  PHE  59           HD2      PHE  59   9.354  -3.734   0.120
  445    HE1  PHE  59           HE1      PHE  59  13.417  -1.001   0.582
  446    HE2  PHE  59           HE2      PHE  59  10.086  -2.299  -1.736
  447    HZ   PHE  59           HZ       PHE  59  12.120  -0.929  -1.508
  448    H    CYS  60           HN       CYS  60   8.365  -4.871   0.061
  449    HA   CYS  60           HA       CYS  60   5.748  -4.830   1.311
  450   1HB   CYS  60          HB2       CYS  60   5.155  -2.646   0.224
  451   2HB   CYS  60          HB1       CYS  60   6.306  -2.506   1.548
  452    H    ILE  61           HN       ILE  61   4.530  -6.110   0.082
  453    HA   ILE  61           HA       ILE  61   5.309  -6.577  -2.677
  454    HB   ILE  61           HB       ILE  61   3.905  -8.497  -2.663
  455   1HG1  ILE  61          HG12      ILE  61   2.881  -7.582   0.035
  456   2HG1  ILE  61          HG11      ILE  61   1.978  -7.492  -1.475
  457   1HG2  ILE  61          HG21      ILE  61   4.820  -9.748  -0.753
  458   2HG2  ILE  61          HG22      ILE  61   5.332  -8.227  -0.019
  459   3HG2  ILE  61          HG23      ILE  61   6.040  -8.752  -1.548
  460   1HD1  ILE  61          HD11      ILE  61   1.281  -9.400  -0.157
  461   2HD1  ILE  61          HD12      ILE  61   2.936 -10.010  -0.135
  462   3HD1  ILE  61          HD13      ILE  61   2.046  -9.928  -1.656
  463    H    TYR  62           HN       TYR  62   3.173  -4.483  -1.165
  464    HA   TYR  62           HA       TYR  62   1.585  -3.043  -2.058
  465   1HB   TYR  62          HB2       TYR  62   3.210  -3.350  -4.081
  466   2HB   TYR  62          HB1       TYR  62   1.910  -4.335  -4.739
  467    HD1  TYR  62           HD1      TYR  62   3.145  -1.047  -4.224
  468    HD2  TYR  62           HD2      TYR  62  -0.386  -3.242  -5.046
  469    HE1  TYR  62           HE1      TYR  62   2.105   1.006  -5.048
  470    HE2  TYR  62           HE2      TYR  62  -1.463  -1.194  -5.890
  471    HH   TYR  62           HH       TYR  62   0.326   1.727  -6.424
  472    H    LYS  63           HN       LYS  63  -0.528  -3.498  -1.437
  473    HA   LYS  63           HA       LYS  63  -1.824  -5.768  -2.677
  474   1HB   LYS  63          HB2       LYS  63  -2.905  -4.055  -0.465
  475   2HB   LYS  63          HB1       LYS  63  -3.371  -5.695  -0.888
  476   1HG   LYS  63          HG2       LYS  63  -0.657  -4.954   0.166
  477   2HG   LYS  63          HG1       LYS  63  -1.996  -5.498   1.176
  478   1HD   LYS  63          HD2       LYS  63  -2.052  -7.610   0.059
  479   2HD   LYS  63          HD1       LYS  63  -0.875  -7.064  -1.134
  480   1HE   LYS  63          HE2       LYS  63   0.503  -8.204   0.276
  481   2HE   LYS  63          HE1       LYS  63   0.581  -6.619   1.036
  482   1HZ   LYS  63          HZ1       LYS  63   0.208  -8.369   2.661
  483   2HZ   LYS  63          HZ2       LYS  63  -1.203  -8.851   1.862
  484   3HZ   LYS  63          HZ3       LYS  63  -1.125  -7.327   2.595
  485    H    ARG  64           HN       ARG  64  -3.487  -3.066  -1.413
  486    HA   ARG  64           HA       ARG  64  -5.085  -1.675  -2.202
  487   1HB   ARG  64          HB2       ARG  64  -3.065  -1.748  -4.347
  488   2HB   ARG  64          HB1       ARG  64  -4.652  -1.159  -4.825
  489   1HG   ARG  64          HG2       ARG  64  -4.583   0.579  -3.200
  490   2HG   ARG  64          HG1       ARG  64  -3.130  -0.094  -2.459
  491   1HD   ARG  64          HD2       ARG  64  -2.541   1.809  -3.814
  492   2HD   ARG  64          HD1       ARG  64  -1.898   0.337  -4.541
  493    HE   ARG  64           HE       ARG  64  -4.149   0.563  -5.896
  494   1HH1  ARG  64          HH11      ARG  64  -1.878   3.049  -4.997
  495   2HH1  ARG  64          HH12      ARG  64  -2.228   4.045  -6.370
  496   1HH2  ARG  64          HH21      ARG  64  -4.618   1.869  -7.706
  497   2HH2  ARG  64          HH22      ARG  64  -3.786   3.375  -7.910
  498    H    CYS  65           HN       CYS  65  -7.122  -2.130  -2.577
  499    HA   CYS  65           HA       CYS  65  -7.766  -4.433  -4.271
  500   1HB   CYS  65          HB2       CYS  65  -9.736  -3.012  -2.500
  501   2HB   CYS  65          HB1       CYS  65  -9.738  -4.690  -3.033
  502    H    ARG  66           HN       ARG  66  -9.559  -4.246  -5.781
  503    HA   ARG  66           HA       ARG  66  -9.396  -1.836  -7.220
  504   1HB   ARG  66          HB2       ARG  66  -9.903  -4.013  -8.300
  505   2HB   ARG  66          HB1       ARG  66 -11.472  -4.026  -7.509
  506   1HG   ARG  66          HG2       ARG  66 -11.693  -3.328  -9.811
  507   2HG   ARG  66          HG1       ARG  66 -12.097  -1.994  -8.729
  508   1HD   ARG  66          HD2       ARG  66  -9.857  -1.058  -9.055
  509   2HD   ARG  66          HD1       ARG  66  -9.464  -2.386 -10.147
  510    HE   ARG  66           HE       ARG  66 -11.795  -0.990 -10.992
  511   1HH1  ARG  66          HH11      ARG  66  -8.315  -0.828 -10.934
  512   2HH1  ARG  66          HH12      ARG  66  -8.209   0.175 -12.343
  513   1HH2  ARG  66          HH21      ARG  66 -11.667   0.329 -12.847
  514   2HH2  ARG  66          HH22      ARG  66 -10.116   0.833 -13.430
  515    H    HIS  67           HN       HIS  67 -10.634  -0.070  -7.287
  516    HA   HIS  67           HA       HIS  67 -11.888   0.913  -5.116
  517   1HB   HIS  67          HB2       HIS  67 -12.518   1.470  -8.015
  518   2HB   HIS  67          HB1       HIS  67 -13.078   2.455  -6.675
  519    HD1  HIS  67           HD1      HIS  67 -10.663   2.651  -9.133
  520    HD2  HIS  67           HD2      HIS  67 -10.498   3.088  -5.005
  521    HE1  HIS  67           HE1      HIS  67  -8.587   3.997  -8.681
  522    HE2  HIS  67           HE2      HIS  67  -8.458   4.166  -6.171
  523    HA   PRO  68           HA       PRO  68 -15.616  -1.386  -4.178
  524   1HB   PRO  68          HB2       PRO  68 -16.996   0.980  -3.510
  525   2HB   PRO  68          HB1       PRO  68 -16.190  -0.136  -2.411
  526   1HG   PRO  68          HG2       PRO  68 -15.222   2.429  -3.545
  527   2HG   PRO  68          HG1       PRO  68 -14.864   1.681  -1.981
  528   1HD   PRO  68          HD2       PRO  68 -13.052   1.688  -3.940
  529   2HD   PRO  68          HD1       PRO  68 -13.255   0.255  -2.904
  530    H    GLY  69           HN       GLY  69 -15.749   1.668  -5.954
  531   1HA   GLY  69          HA2       GLY  69 -16.751   1.745  -8.165
  532   2HA   GLY  69          HA1       GLY  69 -17.928   0.559  -7.608
  533    H    GLU  70           HN       GLU  70 -19.052   2.583  -8.721
  534    HA   GLU  70           HA       GLU  70 -19.559   4.746  -6.869
  535   1HB   GLU  70          HB2       GLU  70 -19.426   5.232  -9.282
  536   2HB   GLU  70          HB1       GLU  70 -20.782   4.151  -9.573
  537   1HG   GLU  70          HG2       GLU  70 -21.493   6.464  -9.612
  538   2HG   GLU  70          HG1       GLU  70 -22.233   5.604  -8.261
  539    H    LEU  71           HN       LEU  71 -21.120   4.951  -5.507
  540    HA   LEU  71           HA       LEU  71 -23.085   2.798  -5.268
  541   1HB   LEU  71          HB2       LEU  71 -21.572   4.098  -3.406
  542   2HB   LEU  71          HB1       LEU  71 -23.050   5.031  -3.326
  543    HG   LEU  71           HG       LEU  71 -22.681   2.105  -2.715
  544   1HD1  LEU  71          HD11      LEU  71 -23.736   4.382  -1.057
  545   2HD1  LEU  71          HD12      LEU  71 -22.100   3.730  -0.966
  546   3HD1  LEU  71          HD13      LEU  71 -23.479   2.720  -0.528
  547   1HD2  LEU  71          HD21      LEU  71 -24.731   2.184  -3.918
  548   2HD2  LEU  71          HD22      LEU  71 -25.237   3.651  -3.080
  549   3HD2  LEU  71          HD23      LEU  71 -25.136   2.124  -2.200
  550    H    ARG  72           HN       ARG  72 -24.697   3.247  -6.776
  551    HA   ARG  72           HA       ARG  72 -25.584   5.874  -7.340
  552   1HB   ARG  72          HB2       ARG  72 -26.013   3.972  -8.889
  553   2HB   ARG  72          HB1       ARG  72 -27.089   3.256  -7.696
  554   1HG   ARG  72          HG2       ARG  72 -28.580   5.187  -7.895
  555   2HG   ARG  72          HG1       ARG  72 -27.509   5.881  -9.112
  556   1HD   ARG  72          HD2       ARG  72 -27.863   3.842 -10.494
  557   2HD   ARG  72          HD1       ARG  72 -29.050   3.298  -9.309
  558    HE   ARG  72           HE       ARG  72 -29.870   5.809 -10.036
  559   1HH1  ARG  72          HH11      ARG  72 -29.226   2.815 -11.696
  560   2HH1  ARG  72          HH12      ARG  72 -30.382   3.111 -12.950
  561   1HH2  ARG  72          HH21      ARG  72 -31.396   6.209 -11.687
  562   2HH2  ARG  72          HH22      ARG  72 -31.615   5.039 -12.947
  563    H    ASN  73           HN       ASN  73 -26.701   7.212  -6.333
  564    HA   ASN  73           HA       ASN  73 -28.024   8.236  -4.813
  565   1HB   ASN  73          HB2       ASN  73 -29.128   5.447  -4.363
  566   2HB   ASN  73          HB1       ASN  73 -29.775   6.896  -3.604
  567   1HD2  ASN  73          HD21      ASN  73 -29.443   5.110  -6.554
  568   2HD2  ASN  73          HD22      ASN  73 -30.608   6.003  -7.466
  569    H    GLY  74           HN       GLY  74 -25.826   5.810  -4.210
  570   1HA   GLY  74          HA2       GLY  74 -25.762   6.371  -1.334
  571   2HA   GLY  74          HA1       GLY  74 -25.010   4.990  -2.114
  572    H    GLN  75           HN       GLN  75 -23.405   6.120  -0.461
  573    HA   GLN  75           HA       GLN  75 -21.547   7.650  -2.137
  574   1HB   GLN  75          HB2       GLN  75 -22.657   9.234  -0.623
  575   2HB   GLN  75          HB1       GLN  75 -22.194   8.248   0.757
  576   1HG   GLN  75          HG2       GLN  75 -19.827   8.663   0.236
  577   2HG   GLN  75          HG1       GLN  75 -20.323   9.700  -1.101
  578   1HE2  GLN  75          HE21      GLN  75 -18.764  10.327   1.288
  579   2HE2  GLN  75          HE22      GLN  75 -19.606  11.610   2.082
  580    H    VAL  76           HN       VAL  76 -19.465   7.000  -2.006
  581    HA   VAL  76           HA       VAL  76 -18.902   4.811  -0.132
  582    HB   VAL  76           HB       VAL  76 -18.571   3.755  -2.076
  583   1HG1  VAL  76          HG11      VAL  76 -17.693   6.352  -3.295
  584   2HG1  VAL  76          HG12      VAL  76 -19.256   5.554  -3.484
  585   3HG1  VAL  76          HG13      VAL  76 -17.800   4.812  -4.150
  586   1HG2  VAL  76          HG21      VAL  76 -16.374   3.953  -0.831
  587   2HG2  VAL  76          HG22      VAL  76 -15.904   5.131  -2.058
  588   3HG2  VAL  76          HG23      VAL  76 -16.284   3.473  -2.525
  589    H    GLU  77           HN       GLU  77 -17.857   5.625   1.575
  590    HA   GLU  77           HA       GLU  77 -16.199   7.934   1.478
  591   1HB   GLU  77          HB2       GLU  77 -17.343   7.324   3.535
  592   2HB   GLU  77          HB1       GLU  77 -16.446   5.811   3.613
  593   1HG   GLU  77          HG2       GLU  77 -15.469   7.347   5.153
  594   2HG   GLU  77          HG1       GLU  77 -14.352   7.119   3.812
  595    H    ILE  78           HN       ILE  78 -14.445   7.825   0.193
  596    HA   ILE  78           HA       ILE  78 -12.543   5.621   0.665
  597    HB   ILE  78           HB       ILE  78 -13.049   7.247  -1.821
  598   1HG1  ILE  78          HG12      ILE  78 -14.417   5.220  -1.449
  599   2HG1  ILE  78          HG11      ILE  78 -13.382   5.080  -2.864
  600   1HG2  ILE  78          HG21      ILE  78 -11.109   6.064  -2.822
  601   2HG2  ILE  78          HG22      ILE  78 -10.682   5.485  -1.211
  602   3HG2  ILE  78          HG23      ILE  78 -10.665   7.214  -1.561
  603   1HD1  ILE  78          HD11      ILE  78 -12.973   3.799  -0.176
  604   2HD1  ILE  78          HD12      ILE  78 -11.787   3.767  -1.481
  605   3HD1  ILE  78          HD13      ILE  78 -13.359   3.000  -1.702
  606    H    LYS  79           HN       LYS  79 -10.424   6.098   1.086
  607    HA   LYS  79           HA       LYS  79  -9.327   8.710   0.828
  608   1HB   LYS  79          HB2       LYS  79  -9.032   9.211   3.204
  609   2HB   LYS  79          HB1       LYS  79 -10.736   9.129   2.791
  610   1HG   LYS  79          HG2       LYS  79  -9.179   6.913   4.107
  611   2HG   LYS  79          HG1       LYS  79 -10.181   8.088   4.960
  612   1HD   LYS  79          HD2       LYS  79 -12.092   7.301   3.474
  613   2HD   LYS  79          HD1       LYS  79 -11.043   5.948   3.032
  614   1HE   LYS  79          HE2       LYS  79 -10.858   5.331   5.397
  615   2HE   LYS  79          HE1       LYS  79 -11.922   6.668   5.826
  616   1HZ   LYS  79          HZ1       LYS  79 -12.686   4.411   4.056
  617   2HZ   LYS  79          HZ2       LYS  79 -13.700   5.648   4.606
  618   3HZ   LYS  79          HZ3       LYS  79 -13.075   4.519   5.699
  619    H    THR  80           HN       THR  80  -9.129   5.696   2.673
  620    HA   THR  80           HA       THR  80  -6.294   5.770   2.878
  621    HB   THR  80           HB       THR  80  -6.471   3.594   3.876
  622    HG1  THR  80           HG1      THR  80  -9.147   3.206   3.667
  623   1HG2  THR  80          HG21      THR  80  -7.139   5.341   5.348
  624   2HG2  THR  80          HG22      THR  80  -8.314   4.040   5.552
  625   3HG2  THR  80          HG23      THR  80  -8.728   5.463   4.591
  626    H    ASP  81           HN       ASP  81  -7.961   5.481   0.150
  627    HA   ASP  81           HA       ASP  81  -7.455   4.652  -1.946
  628   1HB   ASP  81          HB2       ASP  81  -4.852   3.840  -0.676
  629   2HB   ASP  81          HB1       ASP  81  -5.162   4.055  -2.397
  630    H    LEU  82           HN       LEU  82  -8.094   2.837   0.587
  631    HA   LEU  82           HA       LEU  82  -8.814   0.696   0.903
  632   1HB   LEU  82          HB2       LEU  82  -8.150   0.420  -2.023
  633   2HB   LEU  82          HB1       LEU  82  -8.911  -0.839  -1.077
  634    HG   LEU  82           HG       LEU  82 -10.698   0.099  -2.197
  635   1HD1  LEU  82          HD11      LEU  82 -11.998   1.405  -0.599
  636   2HD1  LEU  82          HD12      LEU  82 -10.542   1.678   0.360
  637   3HD1  LEU  82          HD13      LEU  82 -11.183   0.045   0.176
  638   1HD2  LEU  82          HD21      LEU  82 -11.021   2.515  -2.524
  639   2HD2  LEU  82          HD22      LEU  82  -9.529   1.920  -3.255
  640   3HD2  LEU  82          HD23      LEU  82  -9.472   2.809  -1.731
  641    H    SER  83           HN       SER  83  -5.795   1.257  -0.732
  642    HA   SER  83           HA       SER  83  -4.326  -0.887  -0.954
  643   1HB   SER  83          HB2       SER  83  -2.373   0.284  -0.024
  644   2HB   SER  83          HB1       SER  83  -3.366   1.358  -1.010
  645    HG   SER  83           HG       SER  83  -2.925   2.463   0.836
  646    H    PHE  84           HN       PHE  84  -5.578  -2.471   0.372
  647    HA   PHE  84           HA       PHE  84  -5.847  -3.896   2.130
  648   1HB   PHE  84          HB2       PHE  84  -3.585  -4.472   1.353
  649   2HB   PHE  84          HB1       PHE  84  -2.905  -3.307   2.484
  650    HD1  PHE  84           HD1      PHE  84  -4.829  -6.457   2.255
  651    HD2  PHE  84           HD2      PHE  84  -2.514  -3.878   4.726
  652    HE1  PHE  84           HE1      PHE  84  -4.760  -8.194   3.996
  653    HE2  PHE  84           HE2      PHE  84  -2.441  -5.610   6.472
  654    HZ   PHE  84           HZ       PHE  84  -3.564  -7.770   6.109
  655    H    GLY  85           HN       GLY  85  -6.854  -3.641   4.039
  656   1HA   GLY  85          HA2       GLY  85  -6.969  -3.104   6.318
  657   2HA   GLY  85          HA1       GLY  85  -5.590  -2.033   6.115
  658    H    SER  86           HN       SER  86  -8.930  -2.322   4.879
  659    HA   SER  86           HA       SER  86  -9.559   0.318   5.845
  660   1HB   SER  86          HB2       SER  86 -10.176   1.209   3.606
  661   2HB   SER  86          HB1       SER  86  -8.443   0.925   3.776
  662    HG   SER  86           HG       SER  86  -8.602  -0.856   2.507
  663    H    GLN  87           HN       GLN  87 -11.718   0.669   6.070
  664    HA   GLN  87           HA       GLN  87 -13.453  -1.609   5.410
  665   1HB   GLN  87          HB2       GLN  87 -14.457   0.523   7.205
  666   2HB   GLN  87          HB1       GLN  87 -14.686  -1.219   7.292
  667   1HG   GLN  87          HG2       GLN  87 -13.383  -0.874   9.126
  668   2HG   GLN  87          HG1       GLN  87 -12.145  -1.214   7.916
  669   1HE2  GLN  87          HE21      GLN  87 -13.939   1.759   7.970
  670   2HE2  GLN  87          HE22      GLN  87 -12.635   2.776   8.465
  671    H    ILE  88           HN       ILE  88 -13.244   1.877   5.366
  672    HA   ILE  88           HA       ILE  88 -14.263   3.501   4.174
  673    HB   ILE  88           HB       ILE  88 -14.580   3.147   1.776
  674   1HG1  ILE  88          HG12      ILE  88 -13.610   0.317   2.070
  675   2HG1  ILE  88          HG11      ILE  88 -15.331   0.674   2.136
  676   1HG2  ILE  88          HG21      ILE  88 -12.225   2.474   1.269
  677   2HG2  ILE  88          HG22      ILE  88 -12.047   2.049   2.972
  678   3HG2  ILE  88          HG23      ILE  88 -12.394   3.716   2.509
  679   1HD1  ILE  88          HD11      ILE  88 -14.654  -0.003  -0.092
  680   2HD1  ILE  88          HD12      ILE  88 -13.487   1.318  -0.152
  681   3HD1  ILE  88          HD13      ILE  88 -15.215   1.669  -0.085
  682    H    GLU  89           HN       GLU  89 -16.070   3.667   5.460
  683    HA   GLU  89           HA       GLU  89 -18.381   2.100   5.200
  684   1HB   GLU  89          HB2       GLU  89 -17.758   4.768   6.401
  685   2HB   GLU  89          HB1       GLU  89 -19.427   4.238   6.277
  686   1HG   GLU  89          HG2       GLU  89 -18.907   2.247   7.566
  687   2HG   GLU  89          HG1       GLU  89 -17.220   2.751   7.677
  688    H    PHE  90           HN       PHE  90 -20.543   3.057   4.568
  689    HA   PHE  90           HA       PHE  90 -20.269   4.717   2.161
  690   1HB   PHE  90          HB2       PHE  90 -22.043   2.289   2.472
  691   2HB   PHE  90          HB1       PHE  90 -22.028   3.366   1.078
  692    HD1  PHE  90           HD1      PHE  90 -20.117   3.389  -0.466
  693    HD2  PHE  90           HD2      PHE  90 -20.296   0.693   2.838
  694    HE1  PHE  90           HE1      PHE  90 -18.325   2.047  -1.470
  695    HE2  PHE  90           HE2      PHE  90 -18.502  -0.654   1.829
  696    HZ   PHE  90           HZ       PHE  90 -17.513   0.021  -0.324
  697    H    SER  91           HN       SER  91 -22.843   5.113   1.451
  698    HA   SER  91           HA       SER  91 -24.475   5.766   3.703
  699   1HB   SER  91          HB2       SER  91 -22.956   8.007   2.371
  700   2HB   SER  91          HB1       SER  91 -24.406   8.268   3.341
  701    HG   SER  91           HG       SER  91 -21.871   7.856   4.151
  702    H    CYS  92           HN       CYS  92 -26.488   5.577   3.050
  703    HA   CYS  92           HA       CYS  92 -27.088   5.947   0.224
  704   1HB   CYS  92          HB2       CYS  92 -28.624   4.716   2.505
  705   2HB   CYS  92          HB1       CYS  92 -29.413   5.113   0.982
  706    H    SER  93           HN       SER  93 -27.741   7.829  -0.500
  707    HA   SER  93           HA       SER  93 -28.092  10.128   0.932
  708   1HB   SER  93          HB2       SER  93 -29.352  11.008  -1.044
  709   2HB   SER  93          HB1       SER  93 -27.820  10.227  -1.454
  710    HG   SER  93           HG       SER  93 -29.543   8.311  -1.543
  711    H    GLU  94           HN       GLU  94 -30.050  11.502   1.062
  712    HA   GLU  94           HA       GLU  94 -31.878  10.639   2.876
  713   1HB   GLU  94          HB2       GLU  94 -31.798  12.940   2.522
  714   2HB   GLU  94          HB1       GLU  94 -31.974  12.782   0.782
  715   1HG   GLU  94          HG2       GLU  94 -34.300  12.182   1.042
  716   2HG   GLU  94          HG1       GLU  94 -34.143  12.259   2.797
  717    H    GLY  95           HN       GLY  95 -34.073  10.026   2.806
  718   1HA   GLY  95          HA2       GLY  95 -35.933   8.926   2.006
  719   2HA   GLY  95          HA1       GLY  95 -35.372   9.271   0.380
  720    H    PHE  96           HN       PHE  96 -32.767   7.904   0.861
  721    HA   PHE  96           HA       PHE  96 -33.789   5.144   0.665
  722   1HB   PHE  96          HB2       PHE  96 -31.218   6.109  -0.580
  723   2HB   PHE  96          HB1       PHE  96 -32.121   4.643  -0.940
  724    HD1  PHE  96           HD1      PHE  96 -31.618   8.102  -1.745
  725    HD2  PHE  96           HD2      PHE  96 -34.315   4.835  -2.147
  726    HE1  PHE  96           HE1      PHE  96 -32.730   9.255  -3.611
  727    HE2  PHE  96           HE2      PHE  96 -35.432   5.982  -4.015
  728    HZ   PHE  96           HZ       PHE  96 -34.641   8.196  -4.749
  729    H    PHE  97           HN       PHE  97 -32.986   3.681   2.066
  730    HA   PHE  97           HA       PHE  97 -30.844   4.593   3.843
  731   1HB   PHE  97          HB2       PHE  97 -31.600   2.977   5.450
  732   2HB   PHE  97          HB1       PHE  97 -32.989   3.890   4.883
  733    HD1  PHE  97           HD1      PHE  97 -31.828   0.719   5.670
  734    HD2  PHE  97           HD2      PHE  97 -34.228   2.760   2.807
  735    HE1  PHE  97           HE1      PHE  97 -33.014  -1.378   5.172
  736    HE2  PHE  97           HE2      PHE  97 -35.411   0.664   2.298
  737    HZ   PHE  97           HZ       PHE  97 -34.808  -1.408   3.484
  738    H    LEU  98           HN       LEU  98 -29.381   2.923   4.683
  739    HA   LEU  98           HA       LEU  98 -28.207   1.542   2.411
  740   1HB   LEU  98          HB2       LEU  98 -26.884   3.020   3.927
  741   2HB   LEU  98          HB1       LEU  98 -27.105   1.830   5.195
  742    HG   LEU  98           HG       LEU  98 -25.922   0.969   2.588
  743   1HD1  LEU  98          HD11      LEU  98 -24.705   2.995   3.193
  744   2HD1  LEU  98          HD12      LEU  98 -23.699   1.557   3.369
  745   3HD1  LEU  98          HD13      LEU  98 -24.391   2.331   4.796
  746   1HD2  LEU  98          HD21      LEU  98 -26.497  -0.698   4.276
  747   2HD2  LEU  98          HD22      LEU  98 -25.478   0.134   5.449
  748   3HD2  LEU  98          HD23      LEU  98 -24.752  -0.614   4.025
  749    H    ILE  99           HN       ILE  99 -27.804  -0.574   2.264
  750    HA   ILE  99           HA       ILE  99 -28.368  -2.464   4.392
  751    HB   ILE  99           HB       ILE  99 -29.750  -3.195   1.891
  752   1HG1  ILE  99          HG12      ILE  99 -31.273  -1.377   3.707
  753   2HG1  ILE  99          HG11      ILE  99 -30.258  -0.678   2.451
  754   1HG2  ILE  99          HG21      ILE  99 -31.337  -4.181   3.414
  755   2HG2  ILE  99          HG22      ILE  99 -30.603  -3.332   4.775
  756   3HG2  ILE  99          HG23      ILE  99 -29.696  -4.582   3.923
  757   1HD1  ILE  99          HD11      ILE  99 -32.426  -0.821   1.560
  758   2HD1  ILE  99          HD12      ILE  99 -32.627  -2.484   2.114
  759   3HD1  ILE  99          HD13      ILE  99 -31.498  -2.118   0.808
  760    H    GLY 100           HN       GLY 100 -26.912  -3.972   4.258
  761   1HA   GLY 100          HA2       GLY 100 -26.088  -5.694   2.452
  762   2HA   GLY 100          HA1       GLY 100 -25.302  -4.240   1.836
  763    H    SER 101           HN       SER 101 -23.973  -3.049   3.355
  764    HA   SER 101           HA       SER 101 -22.969  -4.059   5.754
  765   1HB   SER 101          HB2       SER 101 -20.831  -4.975   5.087
  766   2HB   SER 101          HB1       SER 101 -22.090  -5.836   4.202
  767    HG   SER 101           HG       SER 101 -20.476  -5.281   2.767
  768    H    THR 102           HN       THR 102 -22.806  -1.990   6.513
  769    HA   THR 102           HA       THR 102 -22.145   0.229   4.929
  770    HB   THR 102           HB       THR 102 -21.970   1.495   6.990
  771    HG1  THR 102           HG1      THR 102 -20.850   0.242   8.389
  772   1HG2  THR 102          HG21      THR 102 -24.141  -0.598   7.096
  773   2HG2  THR 102          HG22      THR 102 -24.227   0.985   6.322
  774   3HG2  THR 102          HG23      THR 102 -24.120   0.865   8.079
  775    H    THR 103           HN       THR 103 -20.207  -2.239   6.088
  776    HA   THR 103           HA       THR 103 -17.833  -0.536   5.757
  777    HB   THR 103           HB       THR 103 -16.639  -2.233   7.123
  778    HG1  THR 103           HG1      THR 103 -19.089  -3.093   8.170
  779   1HG2  THR 103          HG21      THR 103 -18.905  -0.679   8.337
  780   2HG2  THR 103          HG22      THR 103 -17.218  -0.187   8.169
  781   3HG2  THR 103          HG23      THR 103 -17.654  -1.467   9.301
  782    H    SER 104           HN       SER 104 -15.959  -1.653   4.867
  783    HA   SER 104           HA       SER 104 -16.420  -4.082   3.382
  784   1HB   SER 104          HB2       SER 104 -15.842  -1.434   2.019
  785   2HB   SER 104          HB1       SER 104 -15.637  -3.004   1.242
  786    HG   SER 104           HG       SER 104 -17.684  -2.955   0.835
  787    H    ARG 105           HN       ARG 105 -14.736  -5.185   4.074
  788    HA   ARG 105           HA       ARG 105 -12.272  -3.828   4.828
  789   1HB   ARG 105          HB2       ARG 105 -13.009  -6.743   5.096
  790   2HB   ARG 105          HB1       ARG 105 -11.631  -5.942   5.840
  791   1HG   ARG 105          HG2       ARG 105 -13.151  -4.546   7.151
  792   2HG   ARG 105          HG1       ARG 105 -14.530  -5.356   6.407
  793   1HD   ARG 105          HD2       ARG 105 -13.838  -7.474   7.365
  794   2HD   ARG 105          HD1       ARG 105 -12.402  -6.715   8.055
  795    HE   ARG 105           HE       ARG 105 -14.796  -5.434   8.919
  796   1HH1  ARG 105          HH11      ARG 105 -12.778  -8.225   9.449
  797   2HH1  ARG 105          HH12      ARG 105 -13.269  -8.427  11.099
  798   1HH2  ARG 105          HH21      ARG 105 -15.447  -5.692  11.087
  799   2HH2  ARG 105          HH22      ARG 105 -14.786  -6.986  12.029
  800    H    CYS 106           HN       CYS 106 -10.299  -4.122   3.946
  801    HA   CYS 106           HA       CYS 106 -10.263  -5.298   1.290
  802   1HB   CYS 106          HB2       CYS 106  -8.871  -3.103   2.592
  803   2HB   CYS 106          HB1       CYS 106  -7.735  -4.195   1.807
  804    H    GLU 107           HN       GLU 107  -9.667  -7.342   1.138
  805    HA   GLU 107           HA       GLU 107  -7.815  -8.419   3.150
  806   1HB   GLU 107          HB2       GLU 107 -10.255  -9.249   2.947
  807   2HB   GLU 107          HB1       GLU 107  -9.699 -10.075   1.495
  808   1HG   GLU 107          HG2       GLU 107  -7.952 -11.184   2.903
  809   2HG   GLU 107          HG1       GLU 107  -8.752 -10.492   4.314
  810    H    VAL 108           HN       VAL 108  -6.737 -10.480   2.255
  811    HA   VAL 108           HA       VAL 108  -5.958 -10.102  -0.550
  812    HB   VAL 108           HB       VAL 108  -4.060 -10.269   1.772
  813   1HG1  VAL 108          HG11      VAL 108  -3.466 -11.903  -0.079
  814   2HG1  VAL 108          HG12      VAL 108  -2.246 -10.687   0.302
  815   3HG1  VAL 108          HG13      VAL 108  -3.265 -10.496  -1.126
  816   1HG2  VAL 108          HG21      VAL 108  -4.199  -8.404  -0.590
  817   2HG2  VAL 108          HG22      VAL 108  -3.166  -8.247   0.834
  818   3HG2  VAL 108          HG23      VAL 108  -4.915  -8.068   0.988
  819    H    GLN 109           HN       GLN 109  -5.944 -11.802  -1.720
  820    HA   GLN 109           HA       GLN 109  -5.698 -14.452  -0.457
  821   1HB   GLN 109          HB2       GLN 109  -7.444 -13.749  -2.825
  822   2HB   GLN 109          HB1       GLN 109  -7.338 -15.314  -2.028
  823   1HG   GLN 109          HG2       GLN 109  -8.334 -14.431  -0.033
  824   2HG   GLN 109          HG1       GLN 109  -8.289 -12.794  -0.686
  825   1HE2  GLN 109          HE21      GLN 109 -10.493 -12.516  -0.457
  826   2HE2  GLN 109          HE22      GLN 109 -11.639 -13.302  -1.483
  827    H    ASP 110           HN       ASP 110  -4.299 -15.844  -1.375
  828    HA   ASP 110           HA       ASP 110  -2.664 -16.666  -2.710
  829   1HB   ASP 110          HB2       ASP 110  -4.212 -15.090  -4.744
  830   2HB   ASP 110          HB1       ASP 110  -2.781 -16.022  -5.179
  831    H    ARG 111           HN       ARG 111  -2.904 -13.570  -4.377
  832    HA   ARG 111           HA       ARG 111  -0.793 -12.320  -2.973
  833   1HB   ARG 111          HB2       ARG 111   0.987 -12.464  -4.561
  834   2HB   ARG 111          HB1       ARG 111   0.445 -14.103  -4.221
  835   1HG   ARG 111          HG2       ARG 111  -0.821 -14.137  -6.295
  836   2HG   ARG 111          HG1       ARG 111  -0.324 -12.477  -6.636
  837   1HD   ARG 111          HD2       ARG 111   1.445 -14.909  -6.447
  838   2HD   ARG 111          HD1       ARG 111   1.065 -13.981  -7.895
  839    HE   ARG 111           HE       ARG 111   2.199 -12.186  -6.155
  840   1HH1  ARG 111          HH11      ARG 111   3.157 -15.182  -7.652
  841   2HH1  ARG 111          HH12      ARG 111   4.842 -14.786  -7.668
  842   1HH2  ARG 111          HH21      ARG 111   4.417 -11.655  -6.170
  843   2HH2  ARG 111          HH22      ARG 111   5.559 -12.781  -6.825
  844    H    GLY 112           HN       GLY 112  -3.457 -12.104  -4.672
  845   1HA   GLY 112          HA2       GLY 112  -2.695  -9.519  -5.879
  846   2HA   GLY 112          HA1       GLY 112  -3.881 -10.588  -6.610
  847    H    VAL 113           HN       VAL 113  -3.766 -10.224  -3.196
  848    HA   VAL 113           HA       VAL 113  -5.292  -9.541  -1.681
  849    HB   VAL 113           HB       VAL 113  -4.811  -7.387  -1.515
  850   1HG1  VAL 113          HG11      VAL 113  -4.832  -6.983  -4.489
  851   2HG1  VAL 113          HG12      VAL 113  -3.450  -7.643  -3.604
  852   3HG1  VAL 113          HG13      VAL 113  -4.022  -6.006  -3.262
  853   1HG2  VAL 113          HG21      VAL 113  -7.149  -7.049  -1.618
  854   2HG2  VAL 113          HG22      VAL 113  -7.148  -7.100  -3.380
  855   3HG2  VAL 113          HG23      VAL 113  -6.394  -5.746  -2.537
  856    H    GLY 114           HN       GLY 114  -7.459  -9.581  -1.104
  857   1HA   GLY 114          HA2       GLY 114  -9.276  -9.941  -3.387
  858   2HA   GLY 114          HA1       GLY 114  -9.353 -10.909  -1.920
  859    H    TRP 115           HN       TRP 115 -11.310  -9.016  -3.244
  860    HA   TRP 115           HA       TRP 115 -11.639  -7.015  -1.155
  861   1HB   TRP 115          HB2       TRP 115 -12.168  -7.032  -3.911
  862   2HB   TRP 115          HB1       TRP 115 -13.748  -7.043  -3.138
  863    HD1  TRP 115           HD1      TRP 115 -11.900  -4.601  -4.692
  864    HE1  TRP 115           HE1      TRP 115 -12.000  -2.284  -3.560
  865    HE3  TRP 115           HE3      TRP 115 -13.558  -6.013  -0.066
  866    HZ2  TRP 115           HZ2      TRP 115 -12.687  -1.206  -1.064
  867    HZ3  TRP 115           HZ3      TRP 115 -13.908  -4.274   1.635
  868    HH2  TRP 115           HH2      TRP 115 -13.479  -1.922   1.147
  869    H    SER 116           HN       SER 116 -12.954  -7.364   0.536
  870    HA   SER 116           HA       SER 116 -14.464  -9.754   0.781
  871   1HB   SER 116          HB2       SER 116 -15.212  -8.847   2.926
  872   2HB   SER 116          HB1       SER 116 -13.482  -8.578   2.724
  873    HG   SER 116           HG       SER 116 -14.438  -6.452   1.748
  874    H    HIS 117           HN       HIS 117 -15.601  -6.364   0.838
  875    HA   HIS 117           HA       HIS 117 -17.992  -7.201  -0.657
  876   1HB   HIS 117          HB2       HIS 117 -17.976  -5.365   1.750
  877   2HB   HIS 117          HB1       HIS 117 -19.378  -5.721   0.749
  878    HD1  HIS 117           HD1      HIS 117 -20.459  -8.067   1.010
  879    HD2  HIS 117           HD2      HIS 117 -17.307  -7.326   3.612
  880    HE1  HIS 117           HE1      HIS 117 -20.600  -9.862   2.765
  881    HE2  HIS 117           HE2      HIS 117 -18.761  -9.316   4.397
  882    HA   PRO 118           HA       PRO 118 -16.945  -3.516  -2.927
  883   1HB   PRO 118          HB2       PRO 118 -18.799  -3.671  -4.825
  884   2HB   PRO 118          HB1       PRO 118 -17.533  -4.897  -4.697
  885   1HG   PRO 118          HG2       PRO 118 -20.397  -5.033  -3.897
  886   2HG   PRO 118          HG1       PRO 118 -19.354  -6.307  -4.553
  887   1HD   PRO 118          HD2       PRO 118 -19.996  -5.883  -1.836
  888   2HD   PRO 118          HD1       PRO 118 -18.743  -6.971  -2.469
  889    H    LEU 119           HN       LEU 119 -20.324  -3.405  -3.624
  890    HA   LEU 119           HA       LEU 119 -20.593  -0.972  -2.011
  891   1HB   LEU 119          HB2       LEU 119 -21.778  -1.698  -4.674
  892   2HB   LEU 119          HB1       LEU 119 -22.230  -0.294  -3.760
  893    HG   LEU 119           HG       LEU 119 -19.488  -0.852  -4.876
  894   1HD1  LEU 119          HD11      LEU 119 -19.944   0.943  -6.411
  895   2HD1  LEU 119          HD12      LEU 119 -21.541   1.183  -5.703
  896   3HD1  LEU 119          HD13      LEU 119 -21.179  -0.305  -6.576
  897   1HD2  LEU 119          HD21      LEU 119 -19.434   0.381  -2.782
  898   2HD2  LEU 119          HD22      LEU 119 -20.587   1.545  -3.440
  899   3HD2  LEU 119          HD23      LEU 119 -18.973   1.406  -4.143
  900    HA   PRO 120           HA       PRO 120 -24.081  -2.942  -0.098
  901   1HB   PRO 120          HB2       PRO 120 -25.310  -0.824   0.986
  902   2HB   PRO 120          HB1       PRO 120 -23.723  -1.358   1.551
  903   1HG   PRO 120          HG2       PRO 120 -24.423   0.894  -0.291
  904   2HG   PRO 120          HG1       PRO 120 -23.235   0.852   1.022
  905   1HD   PRO 120          HD2       PRO 120 -22.614   0.545  -1.641
  906   2HD   PRO 120          HD1       PRO 120 -21.629  -0.086  -0.306
  907    H    GLN 121           HN       GLN 121 -26.563  -1.355   0.234
  908    HA   GLN 121           HA       GLN 121 -27.574  -1.262  -2.516
  909   1HB   GLN 121          HB2       GLN 121 -27.972  -3.505  -1.107
  910   2HB   GLN 121          HB1       GLN 121 -29.333  -2.566  -0.510
  911   1HG   GLN 121          HG2       GLN 121 -28.753  -3.145  -3.405
  912   2HG   GLN 121          HG1       GLN 121 -29.939  -3.985  -2.407
  913   1HE2  GLN 121          HE21      GLN 121 -31.834  -2.934  -1.822
  914   2HE2  GLN 121          HE22      GLN 121 -32.373  -1.497  -2.616
  915    H    CYS 122           HN       CYS 122 -28.551   0.639  -2.821
  916    HA   CYS 122           HA       CYS 122 -29.666   1.994  -0.468
  917   1HB   CYS 122          HB2       CYS 122 -28.689   3.017  -3.124
  918   2HB   CYS 122          HB1       CYS 122 -29.681   4.008  -2.061
  919    H    GLU 123           HN       GLU 123 -31.787   1.658  -0.182
  920    HA   GLU 123           HA       GLU 123 -33.557   1.834  -2.526
  921   1HB   GLU 123          HB2       GLU 123 -33.368  -0.528  -1.900
  922   2HB   GLU 123          HB1       GLU 123 -33.764  -0.134  -0.234
  923   1HG   GLU 123          HG2       GLU 123 -35.979   0.660  -0.990
  924   2HG   GLU 123          HG1       GLU 123 -35.572   0.136  -2.624
  925    H    ILE 124           HN       ILE 124 -35.532   2.807  -2.175
  926    HA   ILE 124           HA       ILE 124 -35.522   4.844  -0.195
  927    HB   ILE 124           HB       ILE 124 -36.610   5.116  -2.399
  928   1HG1  ILE 124          HG12      ILE 124 -38.552   5.418  -0.097
  929   2HG1  ILE 124          HG11      ILE 124 -37.217   6.519  -0.421
  930   1HG2  ILE 124          HG21      ILE 124 -38.724   4.095  -2.895
  931   2HG2  ILE 124          HG22      ILE 124 -38.774   3.323  -1.310
  932   3HG2  ILE 124          HG23      ILE 124 -37.568   2.823  -2.497
  933   1HD1  ILE 124          HD11      ILE 124 -39.280   7.442  -1.251
  934   2HD1  ILE 124          HD12      ILE 124 -39.574   5.994  -2.213
  935   3HD1  ILE 124          HD13      ILE 124 -38.215   7.049  -2.602
  936    H    LEU 125           HN       LEU 125 -36.831   5.123   1.603
  937    HA   LEU 125           HA       LEU 125 -37.388   2.807   3.124
  938   1HB   LEU 125          HB2       LEU 125 -38.190   5.688   3.525
  939   2HB   LEU 125          HB1       LEU 125 -38.466   4.425   4.709
  940    HG   LEU 125           HG       LEU 125 -35.730   5.211   3.703
  941   1HD1  LEU 125          HD11      LEU 125 -36.683   7.093   4.867
  942   2HD1  LEU 125          HD12      LEU 125 -35.482   6.320   5.900
  943   3HD1  LEU 125          HD13      LEU 125 -37.201   6.057   6.196
  944   1HD2  LEU 125          HD21      LEU 125 -36.617   3.525   6.041
  945   2HD2  LEU 125          HD22      LEU 125 -34.952   3.957   5.653
  946   3HD2  LEU 125          HD23      LEU 125 -35.877   2.934   4.554
  947    H    GLU 126           HN       GLU 126 -39.431   2.097   3.957
  948    HA   GLU 126           HA       GLU 126 -41.464   2.004   1.935
  949   1HB   GLU 126          HB2       GLU 126 -41.440   0.906   4.752
  950   2HB   GLU 126          HB1       GLU 126 -42.658   0.546   3.538
  951   1HG   GLU 126          HG2       GLU 126 -39.731  -0.127   3.344
  952   2HG   GLU 126          HG1       GLU 126 -41.027  -1.250   3.752
  953    H    HIS 127           HN       HIS 127 -42.886   3.583   1.644
  954    HA   HIS 127           HA       HIS 127 -43.952   4.964   4.020
  955   1HB   HIS 127          HB2       HIS 127 -43.374   6.125   1.288
  956   2HB   HIS 127          HB1       HIS 127 -44.226   6.976   2.572
  957    HD1  HIS 127           HD1      HIS 127 -40.959   6.615   1.184
  958    HD2  HIS 127           HD2      HIS 127 -42.476   7.139   5.017
  959    HE1  HIS 127           HE1      HIS 127 -39.035   7.474   2.557
  960    HE2  HIS 127           HE2      HIS 127 -39.981   7.807   4.868
  961    H    HIS 128           HN       HIS 128 -44.775   4.859   0.555
  962    HA   HIS 128           HA       HIS 128 -46.722   4.447  -0.540
  963   1HB   HIS 128          HB2       HIS 128 -47.259   2.703   1.872
  964   2HB   HIS 128          HB1       HIS 128 -48.191   2.672   0.379
  965    HD1  HIS 128           HD1      HIS 128 -47.302   1.264  -1.504
  966    HD2  HIS 128           HD2      HIS 128 -44.553   1.750   1.575
  967    HE1  HIS 128           HE1      HIS 128 -45.406  -0.298  -2.042
  968    HE2  HIS 128           HE2      HIS 128 -43.719   0.073  -0.208
  969    H    HIS 129           HN       HIS 129 -46.517   6.515   1.740
  970    HA   HIS 129           HA       HIS 129 -49.412   6.948   2.074
  971   1HB   HIS 129          HB2       HIS 129 -48.190   6.650   4.198
  972   2HB   HIS 129          HB1       HIS 129 -47.145   8.002   3.780
  973    HD1  HIS 129           HD1      HIS 129 -47.797  10.043   4.996
  974    HD2  HIS 129           HD2      HIS 129 -51.092   7.684   4.077
  975    HE1  HIS 129           HE1      HIS 129 -49.785  11.271   5.928
  976    HE2  HIS 129           HE2      HIS 129 -51.758   9.788   5.425
  977    H    HIS 130           HN       HIS 130 -50.311   8.784   1.316
  978    HA   HIS 130           HA       HIS 130 -48.506  10.849   0.245
  979   1HB   HIS 130          HB2       HIS 130 -51.054   9.810  -1.011
  980   2HB   HIS 130          HB1       HIS 130 -50.121  11.179  -1.606
  981    HD1  HIS 130           HD1      HIS 130 -48.287  10.666  -3.215
  982    HD2  HIS 130           HD2      HIS 130 -49.578   7.287  -1.167
  983    HE1  HIS 130           HE1      HIS 130 -47.085   8.732  -4.282
  984    HE2  HIS 130           HE2      HIS 130 -47.890   6.697  -3.035
  985    H    HIS 131           HN       HIS 131 -48.753  12.629   1.405
  986    HA   HIS 131           HA       HIS 131 -51.150  13.182   2.891
  987   1HB   HIS 131          HB2       HIS 131 -49.969  15.168   3.663
  988   2HB   HIS 131          HB1       HIS 131 -48.900  13.771   3.744
  989    HD1  HIS 131           HD1      HIS 131 -49.092  17.156   2.466
  990    HD2  HIS 131           HD2      HIS 131 -47.012  13.696   1.482
  991    HE1  HIS 131           HE1      HIS 131 -47.181  17.910   1.016
  992    HE2  HIS 131           HE2      HIS 131 -46.001  15.788   0.345
  993    H    HIS 132           HN       HIS 132 -50.098  13.783  -0.265
  994    HA   HIS 132           HA       HIS 132 -52.349  15.588  -0.708
  995   1HB   HIS 132          HB2       HIS 132 -50.433  17.073  -0.406
  996   2HB   HIS 132          HB1       HIS 132 -49.526  16.180  -1.622
  997    HD1  HIS 132           HD1      HIS 132 -52.285  18.675  -1.243
  998    HD2  HIS 132           HD2      HIS 132 -50.179  16.767  -4.275
  999    HE1  HIS 132           HE1      HIS 132 -52.881  19.906  -3.353
 1000    HE2  HIS 132           HE2      HIS 132 -51.511  18.801  -5.155
  Start of MODEL    3
    1   1H    MET   0           HT1      MET   0  33.511  -4.553   1.207
    2   2H    MET   0           HT2      MET   0  35.183  -4.734   1.018
    3   3H    MET   0           HT3      MET   0  34.284  -3.904  -0.151
    4    HA   MET   0           HA       MET   0  34.673  -3.045   2.656
    5   1HB   MET   0          HB2       MET   0  36.717  -2.857   1.294
    6   2HB   MET   0          HB1       MET   0  35.827  -1.940   0.086
    7   1HG   MET   0          HG2       MET   0  37.173  -0.493   1.505
    8   2HG   MET   0          HG1       MET   0  35.453  -0.154   1.680
    9   1HE   MET   0          HE1       MET   0  37.771   0.813   3.766
   10   2HE   MET   0          HE2       MET   0  36.861   0.584   5.259
   11   3HE   MET   0          HE3       MET   0  36.063   1.247   3.833
   12    H    ASN   1           HN       ASN   1  34.004  -1.527  -0.497
   13    HA   ASN   1           HA       ASN   1  31.567  -0.374   0.672
   14   1HB   ASN   1          HB2       ASN   1  33.843   0.974  -0.689
   15   2HB   ASN   1          HB1       ASN   1  32.223   1.581  -1.023
   16   1HD2  ASN   1          HD21      ASN   1  30.973   2.372   0.687
   17   2HD2  ASN   1          HD22      ASN   1  31.698   2.940   2.149
   18    H    CYS   2           HN       CYS   2  29.836  -0.006  -0.729
   19    HA   CYS   2           HA       CYS   2  29.919  -1.634  -3.162
   20   1HB   CYS   2          HB2       CYS   2  27.611  -0.561  -1.532
   21   2HB   CYS   2          HB1       CYS   2  27.413  -1.427  -3.051
   22    H    GLY   3           HN       GLY   3  28.405  -0.801  -4.951
   23   1HA   GLY   3          HA2       GLY   3  29.386   1.736  -5.817
   24   2HA   GLY   3          HA1       GLY   3  28.187   0.750  -6.645
   25    HA   PRO   4           HA       PRO   4  26.509   4.785  -4.461
   26   1HB   PRO   4          HB2       PRO   4  25.780   5.172  -7.339
   27   2HB   PRO   4          HB1       PRO   4  26.184   6.378  -6.111
   28   1HG   PRO   4          HG2       PRO   4  27.988   5.693  -7.926
   29   2HG   PRO   4          HG1       PRO   4  28.469   5.923  -6.235
   30   1HD   PRO   4          HD2       PRO   4  28.088   3.389  -7.769
   31   2HD   PRO   4          HD1       PRO   4  29.272   3.776  -6.504
   32    HA   PRO   5           HA       PRO   5  22.693   2.590  -3.998
   33   1HB   PRO   5          HB2       PRO   5  21.569   5.313  -3.570
   34   2HB   PRO   5          HB1       PRO   5  21.446   3.871  -2.558
   35   1HG   PRO   5          HG2       PRO   5  23.071   5.865  -1.880
   36   2HG   PRO   5          HG1       PRO   5  23.555   4.175  -1.639
   37   1HD   PRO   5          HD2       PRO   5  24.410   6.114  -3.746
   38   2HD   PRO   5          HD1       PRO   5  25.355   4.865  -2.910
   39    HA   PRO   6           HA       PRO   6  21.222   3.263  -8.264
   40   1HB   PRO   6          HB2       PRO   6  19.595   1.020  -8.138
   41   2HB   PRO   6          HB1       PRO   6  21.275   1.016  -8.687
   42   1HG   PRO   6          HG2       PRO   6  20.130   0.279  -6.029
   43   2HG   PRO   6          HG1       PRO   6  21.464  -0.470  -6.926
   44   1HD   PRO   6          HD2       PRO   6  21.910   1.154  -4.837
   45   2HD   PRO   6          HD1       PRO   6  22.989   1.133  -6.248
   46    H    THR   7           HN       THR   7  18.883   2.890  -9.094
   47    HA   THR   7           HA       THR   7  17.103   4.441  -7.356
   48    HB   THR   7           HB       THR   7  16.878   3.830 -10.317
   49    HG1  THR   7           HG1      THR   7  17.379   6.101 -10.480
   50   1HG2  THR   7          HG21      THR   7  15.178   5.510  -8.476
   51   2HG2  THR   7          HG22      THR   7  14.673   4.130  -9.453
   52   3HG2  THR   7          HG23      THR   7  15.131   5.645 -10.233
   53    H    LEU   8           HN       LEU   8  15.351   3.514  -6.438
   54    HA   LEU   8           HA       LEU   8  14.724   0.765  -7.263
   55   1HB   LEU   8          HB2       LEU   8  13.977   2.084  -4.663
   56   2HB   LEU   8          HB1       LEU   8  13.878   0.379  -5.060
   57    HG   LEU   8           HG       LEU   8  16.375   2.005  -4.610
   58   1HD1  LEU   8          HD11      LEU   8  16.741   0.352  -2.816
   59   2HD1  LEU   8          HD12      LEU   8  15.160  -0.347  -3.170
   60   3HD1  LEU   8          HD13      LEU   8  15.280   1.310  -2.577
   61   1HD2  LEU   8          HD21      LEU   8  16.146  -0.864  -5.501
   62   2HD2  LEU   8          HD22      LEU   8  17.634  -0.023  -5.068
   63   3HD2  LEU   8          HD23      LEU   8  16.717   0.482  -6.487
   64    H    SER   9           HN       SER   9  12.992   0.642  -8.560
   65    HA   SER   9           HA       SER   9  11.013   2.692  -8.625
   66   1HB   SER   9          HB2       SER   9   9.821   1.182 -10.196
   67   2HB   SER   9          HB1       SER   9  11.519   1.373 -10.635
   68    HG   SER   9           HG       SER   9  10.633  -0.839 -10.624
   69    H    PHE  10           HN       PHE  10  11.583   0.084  -6.594
   70    HA   PHE  10           HA       PHE  10   8.770  -0.129  -5.789
   71   1HB   PHE  10          HB2       PHE  10   9.690  -2.071  -4.377
   72   2HB   PHE  10          HB1       PHE  10   9.621  -2.292  -6.122
   73    HD1  PHE  10           HD1      PHE  10  11.574  -2.621  -7.404
   74    HD2  PHE  10           HD2      PHE  10  11.861  -1.611  -3.281
   75    HE1  PHE  10           HE1      PHE  10  13.969  -3.181  -7.439
   76    HE2  PHE  10           HE2      PHE  10  14.257  -2.168  -3.307
   77    HZ   PHE  10           HZ       PHE  10  15.313  -2.957  -5.388
   78    H    ALA  11           HN       ALA  11  11.564   1.507  -4.982
   79    HA   ALA  11           HA       ALA  11  10.376   2.388  -2.474
   80   1HB   ALA  11          HB1       ALA  11  11.838   0.444  -1.914
   81   2HB   ALA  11          HB2       ALA  11  12.317   1.955  -1.141
   82   3HB   ALA  11          HB3       ALA  11  13.209   1.359  -2.543
   83    H    ALA  12           HN       ALA  12  11.154   4.370  -1.766
   84    HA   ALA  12           HA       ALA  12  13.027   5.739  -3.580
   85   1HB   ALA  12          HB1       ALA  12  11.697   7.769  -3.409
   86   2HB   ALA  12          HB2       ALA  12  10.547   6.951  -2.353
   87   3HB   ALA  12          HB3       ALA  12  10.714   6.445  -4.033
   88    HA   PRO  13           HA       PRO  13  15.572   6.838  -0.138
   89   1HB   PRO  13          HB2       PRO  13  15.219   9.644  -1.117
   90   2HB   PRO  13          HB1       PRO  13  16.699   8.790  -0.664
   91   1HG   PRO  13          HG2       PRO  13  16.059   9.144  -3.228
   92   2HG   PRO  13          HG1       PRO  13  16.803   7.635  -2.673
   93   1HD   PRO  13          HD2       PRO  13  13.997   8.175  -3.485
   94   2HD   PRO  13          HD1       PRO  13  14.938   6.675  -3.595
   95    H    MET  14           HN       MET  14  15.339   7.508   1.935
   96    HA   MET  14           HA       MET  14  13.237   9.361   2.679
   97   1HB   MET  14          HB2       MET  14  12.175   7.077   2.505
   98   2HB   MET  14          HB1       MET  14  13.224   6.565   3.819
   99   1HG   MET  14          HG2       MET  14  12.221   8.252   5.273
  100   2HG   MET  14          HG1       MET  14  11.167   8.756   3.954
  101   1HE   MET  14          HE1       MET  14   8.641   6.974   6.325
  102   2HE   MET  14          HE2       MET  14   9.050   8.458   5.466
  103   3HE   MET  14          HE3       MET  14  10.035   7.929   6.830
  104    H    ASP  15           HN       ASP  15  16.199   7.821   3.214
  105    HA   ASP  15           HA       ASP  15  16.851   9.574   5.368
  106   1HB   ASP  15          HB2       ASP  15  15.539   7.755   6.518
  107   2HB   ASP  15          HB1       ASP  15  16.810   6.632   6.048
  108    H    ILE  16           HN       ILE  16  18.451  10.058   3.772
  109    HA   ILE  16           HA       ILE  16  20.938   8.906   4.228
  110    HB   ILE  16           HB       ILE  16  20.283   7.005   2.996
  111   1HG1  ILE  16          HG12      ILE  16  21.823   8.797   1.122
  112   2HG1  ILE  16          HG11      ILE  16  22.523   7.896   2.463
  113   1HG2  ILE  16          HG21      ILE  16  19.273   8.867   0.868
  114   2HG2  ILE  16          HG22      ILE  16  18.301   7.840   1.923
  115   3HG2  ILE  16          HG23      ILE  16  19.362   7.112   0.716
  116   1HD1  ILE  16          HD11      ILE  16  21.912   5.803   1.386
  117   2HD1  ILE  16          HD12      ILE  16  22.923   6.794   0.335
  118   3HD1  ILE  16          HD13      ILE  16  21.185   6.697   0.050
  119    H    THR  17           HN       THR  17  21.720  10.981   4.280
  120    HA   THR  17           HA       THR  17  21.152  13.007   2.457
  121    HB   THR  17           HB       THR  17  23.415  13.948   3.059
  122    HG1  THR  17           HG1      THR  17  24.322  12.734   4.970
  123   1HG2  THR  17          HG21      THR  17  21.427  14.537   4.344
  124   2HG2  THR  17          HG22      THR  17  22.825  14.389   5.409
  125   3HG2  THR  17          HG23      THR  17  21.627  13.097   5.342
  126    H    LEU  18           HN       LEU  18  21.414  12.968   0.331
  127    HA   LEU  18           HA       LEU  18  23.149  11.080  -0.905
  128   1HB   LEU  18          HB2       LEU  18  21.086  12.999  -1.764
  129   2HB   LEU  18          HB1       LEU  18  22.332  12.659  -2.945
  130    HG   LEU  18           HG       LEU  18  20.457  11.188  -3.323
  131   1HD1  LEU  18          HD11      LEU  18  21.570   8.986  -3.056
  132   2HD1  LEU  18          HD12      LEU  18  22.806   9.776  -2.074
  133   3HD1  LEU  18          HD13      LEU  18  22.611  10.220  -3.770
  134   1HD2  LEU  18          HD21      LEU  18  19.796   9.539  -1.585
  135   2HD2  LEU  18          HD22      LEU  18  19.419  11.209  -1.161
  136   3HD2  LEU  18          HD23      LEU  18  20.813  10.409  -0.435
  137    H    THR  19           HN       THR  19  24.532  12.946   0.716
  138    HA   THR  19           HA       THR  19  25.901  14.727  -1.148
  139    HB   THR  19           HB       THR  19  26.950  15.727   0.768
  140    HG1  THR  19           HG1      THR  19  25.681  14.087   2.630
  141   1HG2  THR  19          HG21      THR  19  24.039  15.114   1.295
  142   2HG2  THR  19          HG22      THR  19  24.691  16.482   0.392
  143   3HG2  THR  19          HG23      THR  19  24.962  16.364   2.131
  144    H    GLU  20           HN       GLU  20  26.106  11.595  -0.184
  145    HA   GLU  20           HA       GLU  20  29.031  11.495  -0.514
  146   1HB   GLU  20          HB2       GLU  20  27.227   9.459   0.810
  147   2HB   GLU  20          HB1       GLU  20  28.979   9.371   0.695
  148   1HG   GLU  20          HG2       GLU  20  27.437  11.491   2.175
  149   2HG   GLU  20          HG1       GLU  20  28.209  10.086   2.909
  150    H    THR  21           HN       THR  21  29.381   8.870  -1.132
  151    HA   THR  21           HA       THR  21  27.635   8.202  -3.367
  152    HB   THR  21           HB       THR  21  30.444   7.986  -4.152
  153    HG1  THR  21           HG1      THR  21  29.281  10.555  -3.726
  154   1HG2  THR  21          HG21      THR  21  29.579   8.888  -6.246
  155   2HG2  THR  21          HG22      THR  21  28.049   9.278  -5.463
  156   3HG2  THR  21          HG23      THR  21  28.536   7.594  -5.656
  157    H    ARG  22           HN       ARG  22  29.854   7.376  -0.917
  158    HA   ARG  22           HA       ARG  22  29.706   4.539  -1.693
  159   1HB   ARG  22          HB2       ARG  22  31.951   5.877  -0.189
  160   2HB   ARG  22          HB1       ARG  22  31.864   4.180  -0.635
  161   1HG   ARG  22          HG2       ARG  22  32.020   4.737  -2.973
  162   2HG   ARG  22          HG1       ARG  22  31.961   6.462  -2.596
  163   1HD   ARG  22          HD2       ARG  22  34.126   4.529  -1.773
  164   2HD   ARG  22          HD1       ARG  22  34.247   5.747  -3.043
  165    HE   ARG  22           HE       ARG  22  33.563   7.120  -0.760
  166   1HH1  ARG  22          HH11      ARG  22  36.178   5.053  -1.771
  167   2HH1  ARG  22          HH12      ARG  22  37.349   5.818  -0.750
  168   1HH2  ARG  22          HH21      ARG  22  35.098   8.135   0.588
  169   2HH2  ARG  22          HH22      ARG  22  36.736   7.570   0.591
  170    H    PHE  23           HN       PHE  23  29.496   3.033   0.026
  171    HA   PHE  23           HA       PHE  23  29.014   3.991   2.721
  172   1HB   PHE  23          HB2       PHE  23  26.828   2.522   1.230
  173   2HB   PHE  23          HB1       PHE  23  26.756   3.144   2.874
  174    HD1  PHE  23           HD1      PHE  23  27.014   4.186  -0.670
  175    HD2  PHE  23           HD2      PHE  23  25.980   5.308   3.302
  176    HE1  PHE  23           HE1      PHE  23  26.082   6.291  -1.515
  177    HE2  PHE  23           HE2      PHE  23  25.036   7.419   2.460
  178    HZ   PHE  23           HZ       PHE  23  25.085   7.913   0.049
  179    H    LYS  24           HN       LYS  24  30.250   2.612   3.826
  180    HA   LYS  24           HA       LYS  24  31.310   0.233   2.973
  181   1HB   LYS  24          HB2       LYS  24  31.503  -0.316   5.475
  182   2HB   LYS  24          HB1       LYS  24  32.310   1.120   4.865
  183   1HG   LYS  24          HG2       LYS  24  30.456   2.500   5.680
  184   2HG   LYS  24          HG1       LYS  24  29.662   1.050   6.300
  185   1HD   LYS  24          HD2       LYS  24  31.501   0.650   7.821
  186   2HD   LYS  24          HD1       LYS  24  32.388   2.021   7.152
  187   1HE   LYS  24          HE2       LYS  24  31.351   2.659   9.239
  188   2HE   LYS  24          HE1       LYS  24  30.589   3.523   7.904
  189   1HZ   LYS  24          HZ1       LYS  24  28.941   2.699   9.450
  190   2HZ   LYS  24          HZ2       LYS  24  29.502   1.115   9.262
  191   3HZ   LYS  24          HZ3       LYS  24  28.777   1.913   7.960
  192    H    THR  25           HN       THR  25  31.026  -1.945   3.973
  193    HA   THR  25           HA       THR  25  28.477  -2.946   3.281
  194    HB   THR  25           HB       THR  25  29.432  -5.038   4.483
  195    HG1  THR  25           HG1      THR  25  31.957  -4.287   3.923
  196   1HG2  THR  25          HG21      THR  25  30.491  -5.737   2.455
  197   2HG2  THR  25          HG22      THR  25  30.869  -4.070   2.019
  198   3HG2  THR  25          HG23      THR  25  29.198  -4.628   1.995
  199    H    GLY  26           HN       GLY  26  29.298  -1.295   5.978
  200   1HA   GLY  26          HA2       GLY  26  27.628  -2.921   7.776
  201   2HA   GLY  26          HA1       GLY  26  28.724  -1.643   8.281
  202    H    THR  27           HN       THR  27  27.503  -0.218   5.795
  203    HA   THR  27           HA       THR  27  25.728   1.450   7.260
  204    HB   THR  27           HB       THR  27  27.121   2.089   5.213
  205    HG1  THR  27           HG1      THR  27  24.957   3.296   4.464
  206   1HG2  THR  27          HG21      THR  27  25.827   0.109   3.952
  207   2HG2  THR  27          HG22      THR  27  26.472   1.518   3.113
  208   3HG2  THR  27          HG23      THR  27  24.759   1.454   3.541
  209    H    THR  28           HN       THR  28  23.507   2.021   6.142
  210    HA   THR  28           HA       THR  28  22.050  -0.071   4.908
  211    HB   THR  28           HB       THR  28  22.274  -0.918   7.298
  212    HG1  THR  28           HG1      THR  28  20.264  -1.807   7.134
  213   1HG2  THR  28          HG21      THR  28  20.212   1.221   7.823
  214   2HG2  THR  28          HG22      THR  28  21.875   1.258   8.411
  215   3HG2  THR  28          HG23      THR  28  20.773  -0.004   8.961
  216    H    LEU  29           HN       LEU  29  20.389   0.813   3.838
  217    HA   LEU  29           HA       LEU  29  19.786   3.610   4.366
  218   1HB   LEU  29          HB2       LEU  29  18.690   1.947   2.113
  219   2HB   LEU  29          HB1       LEU  29  18.800   3.692   2.209
  220    HG   LEU  29           HG       LEU  29  20.991   1.708   1.689
  221   1HD1  LEU  29          HD11      LEU  29  20.077   4.202   0.264
  222   2HD1  LEU  29          HD12      LEU  29  19.737   2.541  -0.224
  223   3HD1  LEU  29          HD13      LEU  29  21.395   3.145  -0.244
  224   1HD2  LEU  29          HD21      LEU  29  21.846   3.177   3.403
  225   2HD2  LEU  29          HD22      LEU  29  21.321   4.589   2.485
  226   3HD2  LEU  29          HD23      LEU  29  22.595   3.547   1.851
  227    H    LYS  30           HN       LYS  30  17.367   4.135   3.686
  228    HA   LYS  30           HA       LYS  30  15.637   2.486   5.402
  229   1HB   LYS  30          HB2       LYS  30  16.121   4.958   5.994
  230   2HB   LYS  30          HB1       LYS  30  15.074   5.341   4.634
  231   1HG   LYS  30          HG2       LYS  30  13.788   5.437   6.644
  232   2HG   LYS  30          HG1       LYS  30  13.271   4.029   5.713
  233   1HD   LYS  30          HD2       LYS  30  14.576   2.565   7.127
  234   2HD   LYS  30          HD1       LYS  30  15.224   3.950   8.010
  235   1HE   LYS  30          HE2       LYS  30  13.436   2.860   9.262
  236   2HE   LYS  30          HE1       LYS  30  12.989   4.504   8.805
  237   1HZ   LYS  30          HZ1       LYS  30  11.720   3.576   6.947
  238   2HZ   LYS  30          HZ2       LYS  30  11.155   3.009   8.437
  239   3HZ   LYS  30          HZ3       LYS  30  12.106   2.009   7.457
  240    H    TYR  31           HN       TYR  31  14.867   4.960   2.999
  241    HA   TYR  31           HA       TYR  31  13.574   4.953   1.140
  242   1HB   TYR  31          HB2       TYR  31  14.822   2.248   1.089
  243   2HB   TYR  31          HB1       TYR  31  13.509   2.574  -0.040
  244    HD1  TYR  31           HD1      TYR  31  14.195   3.187  -2.147
  245    HD2  TYR  31           HD2      TYR  31  16.559   4.369   1.186
  246    HE1  TYR  31           HE1      TYR  31  15.783   4.285  -3.670
  247    HE2  TYR  31           HE2      TYR  31  18.154   5.470  -0.328
  248    HH   TYR  31           HH       TYR  31  18.851   5.369  -2.659
  249    H    THR  32           HN       THR  32  11.472   4.614   0.481
  250    HA   THR  32           HA       THR  32   9.847   2.777   2.106
  251    HB   THR  32           HB       THR  32   9.240   4.753   3.134
  252    HG1  THR  32           HG1      THR  32   7.350   5.352   1.296
  253   1HG2  THR  32          HG21      THR  32   8.935   6.906   1.951
  254   2HG2  THR  32          HG22      THR  32   9.448   6.128   0.453
  255   3HG2  THR  32          HG23      THR  32  10.575   6.273   1.803
  256    H    CYS  33           HN       CYS  33   8.439   1.561   0.975
  257    HA   CYS  33           HA       CYS  33   8.521   1.643  -1.879
  258   1HB   CYS  33          HB2       CYS  33   6.490   0.012  -0.413
  259   2HB   CYS  33          HB1       CYS  33   7.428  -0.395  -1.843
  260    H    LEU  34           HN       LEU  34   7.453   2.851  -3.098
  261    HA   LEU  34           HA       LEU  34   5.210   4.463  -2.292
  262   1HB   LEU  34          HB2       LEU  34   6.376   4.266  -5.054
  263   2HB   LEU  34          HB1       LEU  34   5.585   5.638  -4.305
  264    HG   LEU  34           HG       LEU  34   8.232   4.566  -3.346
  265   1HD1  LEU  34          HD11      LEU  34   9.285   6.361  -4.611
  266   2HD1  LEU  34          HD12      LEU  34   7.723   6.807  -5.295
  267   3HD1  LEU  34          HD13      LEU  34   8.440   5.243  -5.683
  268   1HD2  LEU  34          HD21      LEU  34   6.824   7.200  -2.938
  269   2HD2  LEU  34          HD22      LEU  34   8.425   6.783  -2.328
  270   3HD2  LEU  34          HD23      LEU  34   7.006   5.919  -1.739
  271    HA   PRO  35           HA       PRO  35   1.468   3.025  -4.305
  272   1HB   PRO  35          HB2       PRO  35   2.435   4.219  -6.882
  273   2HB   PRO  35          HB1       PRO  35   0.806   4.211  -6.197
  274   1HG   PRO  35          HG2       PRO  35   2.442   6.339  -5.966
  275   2HG   PRO  35          HG1       PRO  35   1.281   5.897  -4.703
  276   1HD   PRO  35          HD2       PRO  35   4.201   5.764  -4.658
  277   2HD   PRO  35          HD1       PRO  35   3.054   5.646  -3.312
  278    H    GLY  36           HN       GLY  36   1.523   0.894  -4.426
  279   1HA   GLY  36          HA2       GLY  36   1.411  -0.899  -6.128
  280   2HA   GLY  36          HA1       GLY  36   2.993  -0.349  -6.665
  281    H    TYR  37           HN       TYR  37   3.860   0.093  -3.866
  282    HA   TYR  37           HA       TYR  37   4.073  -2.687  -2.949
  283   1HB   TYR  37          HB2       TYR  37   6.473  -1.013  -2.598
  284   2HB   TYR  37          HB1       TYR  37   6.338  -2.706  -3.058
  285    HD1  TYR  37           HD1      TYR  37   6.927  -3.297  -5.211
  286    HD2  TYR  37           HD2      TYR  37   5.647   0.703  -4.466
  287    HE1  TYR  37           HE1      TYR  37   7.418  -2.711  -7.548
  288    HE2  TYR  37           HE2      TYR  37   6.147   1.293  -6.805
  289    HH   TYR  37           HH       TYR  37   7.521   0.512  -8.655
  290    H    VAL  38           HN       VAL  38   3.336  -2.820  -0.912
  291    HA   VAL  38           HA       VAL  38   3.471  -0.463   0.855
  292    HB   VAL  38           HB       VAL  38   1.846  -1.563   2.338
  293   1HG1  VAL  38          HG11      VAL  38  -0.134  -1.285   0.980
  294   2HG1  VAL  38          HG12      VAL  38   0.840  -1.377  -0.490
  295   3HG1  VAL  38          HG13      VAL  38   1.048  -0.024   0.623
  296   1HG2  VAL  38          HG21      VAL  38   0.635  -3.546   1.695
  297   2HG2  VAL  38          HG22      VAL  38   2.364  -3.889   1.798
  298   3HG2  VAL  38          HG23      VAL  38   1.597  -3.683   0.225
  299    H    ARG  39           HN       ARG  39   3.044  -2.168   3.188
  300    HA   ARG  39           HA       ARG  39   5.770  -3.214   3.467
  301   1HB   ARG  39          HB2       ARG  39   3.969  -2.163   5.648
  302   2HB   ARG  39          HB1       ARG  39   5.646  -2.659   5.826
  303   1HG   ARG  39          HG2       ARG  39   4.951  -0.478   3.913
  304   2HG   ARG  39          HG1       ARG  39   5.034  -0.139   5.643
  305   1HD   ARG  39          HD2       ARG  39   7.259  -1.501   4.150
  306   2HD   ARG  39          HD1       ARG  39   7.152   0.252   4.304
  307    HE   ARG  39           HE       ARG  39   7.684  -1.659   6.453
  308   1HH1  ARG  39          HH11      ARG  39   7.251   1.637   5.408
  309   2HH1  ARG  39          HH12      ARG  39   7.962   2.318   6.833
  310   1HH2  ARG  39          HH21      ARG  39   8.621  -0.770   8.334
  311   2HH2  ARG  39          HH22      ARG  39   8.740   0.952   8.496
  312    H    SER  40           HN       SER  40   5.017  -5.268   2.619
  313    HA   SER  40           HA       SER  40   3.093  -6.794   4.097
  314   1HB   SER  40          HB2       SER  40   3.506  -7.236   1.709
  315   2HB   SER  40          HB1       SER  40   5.168  -7.698   2.080
  316    HG   SER  40           HG       SER  40   3.172  -9.301   1.986
  317    H    HIS  41           HN       HIS  41   6.591  -6.546   3.959
  318    HA   HIS  41           HA       HIS  41   6.830  -8.391   6.234
  319   1HB   HIS  41          HB2       HIS  41   8.982  -7.327   4.386
  320   2HB   HIS  41          HB1       HIS  41   9.215  -8.512   5.666
  321    HD1  HIS  41           HD1      HIS  41   8.464  -8.237   2.131
  322    HD2  HIS  41           HD2      HIS  41   7.752 -11.013   5.141
  323    HE1  HIS  41           HE1      HIS  41   7.881 -10.378   0.947
  324    HE2  HIS  41           HE2      HIS  41   7.379 -12.022   2.790
  325    H    SER  42           HN       SER  42   6.755  -5.156   5.390
  326    HA   SER  42           HA       SER  42   6.959  -3.239   6.580
  327   1HB   SER  42          HB2       SER  42   5.998  -4.436   8.461
  328   2HB   SER  42          HB1       SER  42   7.583  -5.090   8.883
  329    HG   SER  42           HG       SER  42   6.844  -3.162  10.072
  330    H    THR  43           HN       THR  43   9.477  -5.375   6.079
  331    HA   THR  43           HA       THR  43  11.555  -3.707   7.224
  332    HB   THR  43           HB       THR  43  12.170  -5.914   5.306
  333    HG1  THR  43           HG1      THR  43  10.634  -6.888   6.628
  334   1HG2  THR  43          HG21      THR  43  13.960  -4.559   6.339
  335   2HG2  THR  43          HG22      THR  43  14.054  -6.260   6.794
  336   3HG2  THR  43          HG23      THR  43  13.406  -5.078   7.931
  337    H    GLN  44           HN       GLN  44  13.177  -2.646   6.021
  338    HA   GLN  44           HA       GLN  44  13.258  -2.508   3.213
  339   1HB   GLN  44          HB2       GLN  44  12.448  -0.121   2.992
  340   2HB   GLN  44          HB1       GLN  44  11.199  -1.331   3.245
  341   1HG   GLN  44          HG2       GLN  44  11.169  -0.735   5.646
  342   2HG   GLN  44          HG1       GLN  44  12.326   0.550   5.305
  343   1HE2  GLN  44          HE21      GLN  44   9.767  -0.344   3.111
  344   2HE2  GLN  44          HE22      GLN  44   8.834   1.097   3.300
  345    H    THR  45           HN       THR  45  15.458  -2.669   3.565
  346    HA   THR  45           HA       THR  45  16.795  -0.176   4.227
  347    HB   THR  45           HB       THR  45  18.314  -1.132   5.858
  348    HG1  THR  45           HG1      THR  45  16.759  -3.516   5.649
  349   1HG2  THR  45          HG21      THR  45  15.466  -1.784   6.631
  350   2HG2  THR  45          HG22      THR  45  16.191  -0.175   6.685
  351   3HG2  THR  45          HG23      THR  45  16.805  -1.455   7.732
  352    H    LEU  46           HN       LEU  46  18.699   0.074   3.163
  353    HA   LEU  46           HA       LEU  46  19.531  -2.147   1.421
  354   1HB   LEU  46          HB2       LEU  46  19.379   0.782   1.015
  355   2HB   LEU  46          HB1       LEU  46  20.747  -0.040   0.289
  356    HG   LEU  46           HG       LEU  46  19.252  -1.470  -0.991
  357   1HD1  LEU  46          HD11      LEU  46  16.828  -1.106  -0.964
  358   2HD1  LEU  46          HD12      LEU  46  17.021   0.031   0.370
  359   3HD1  LEU  46          HD13      LEU  46  17.429  -1.670   0.595
  360   1HD2  LEU  46          HD21      LEU  46  19.903   0.731  -1.902
  361   2HD2  LEU  46          HD22      LEU  46  18.419   1.417  -1.238
  362   3HD2  LEU  46          HD23      LEU  46  18.335   0.180  -2.493
  363    H    THR  47           HN       THR  47  21.161  -3.192   2.341
  364    HA   THR  47           HA       THR  47  23.266  -1.634   3.696
  365    HB   THR  47           HB       THR  47  22.660  -4.593   3.928
  366    HG1  THR  47           HG1      THR  47  22.206  -2.500   5.811
  367   1HG2  THR  47          HG21      THR  47  25.026  -4.019   4.306
  368   2HG2  THR  47          HG22      THR  47  24.234  -4.581   5.777
  369   3HG2  THR  47          HG23      THR  47  24.534  -2.860   5.540
  370    H    CYS  48           HN       CYS  48  25.457  -2.018   3.167
  371    HA   CYS  48           HA       CYS  48  25.838  -2.886   0.463
  372   1HB   CYS  48          HB2       CYS  48  27.143  -0.990   1.278
  373   2HB   CYS  48          HB1       CYS  48  27.804  -1.965   2.577
  374    H    ASN  49           HN       ASN  49  25.984  -4.957  -0.044
  375    HA   ASN  49           HA       ASN  49  26.819  -6.890   1.962
  376   1HB   ASN  49          HB2       ASN  49  26.166  -8.562   0.187
  377   2HB   ASN  49          HB1       ASN  49  24.861  -7.507   0.729
  378   1HD2  ASN  49          HD21      ASN  49  23.911  -6.152  -0.685
  379   2HD2  ASN  49          HD22      ASN  49  24.307  -6.069  -2.365
  380    H    SER  50           HN       SER  50  28.018  -8.867   0.618
  381    HA   SER  50           HA       SER  50  30.497  -7.606  -0.331
  382   1HB   SER  50          HB2       SER  50  30.720  -9.045   1.661
  383   2HB   SER  50          HB1       SER  50  30.057 -10.404   0.756
  384    HG   SER  50           HG       SER  50  32.134 -10.717   0.413
  385    H    ASP  51           HN       ASP  51  28.660  -7.585  -2.233
  386    HA   ASP  51           HA       ASP  51  29.392  -9.768  -4.095
  387   1HB   ASP  51          HB2       ASP  51  26.735  -8.347  -3.854
  388   2HB   ASP  51          HB1       ASP  51  27.166  -9.472  -5.138
  389    H    GLY  52           HN       GLY  52  28.430  -6.380  -3.685
  390   1HA   GLY  52          HA2       GLY  52  30.193  -4.963  -4.989
  391   2HA   GLY  52          HA1       GLY  52  29.456  -5.774  -6.363
  392    H    GLU  53           HN       GLU  53  27.074  -5.529  -4.212
  393    HA   GLU  53           HA       GLU  53  26.368  -2.733  -4.669
  394   1HB   GLU  53          HB2       GLU  53  24.370  -3.167  -5.875
  395   2HB   GLU  53          HB1       GLU  53  25.655  -4.054  -6.684
  396   1HG   GLU  53          HG2       GLU  53  24.936  -6.096  -5.523
  397   2HG   GLU  53          HG1       GLU  53  23.616  -5.197  -4.793
  398    H    TRP  54           HN       TRP  54  23.603  -3.123  -4.240
  399    HA   TRP  54           HA       TRP  54  23.584  -3.475  -1.348
  400   1HB   TRP  54          HB2       TRP  54  21.605  -2.149  -3.203
  401   2HB   TRP  54          HB1       TRP  54  21.564  -2.116  -1.447
  402    HD1  TRP  54           HD1      TRP  54  23.353  -0.554  -4.427
  403    HE1  TRP  54           HE1      TRP  54  24.758   1.438  -3.594
  404    HE3  TRP  54           HE3      TRP  54  22.832  -1.267   0.578
  405    HZ2  TRP  54           HZ2      TRP  54  25.541   2.560  -1.112
  406    HZ3  TRP  54           HZ3      TRP  54  23.928   0.300   2.130
  407    HH2  TRP  54           HH2      TRP  54  25.253   2.171   1.297
  408    H    VAL  55           HN       VAL  55  22.671  -5.152  -0.455
  409    HA   VAL  55           HA       VAL  55  20.815  -6.853  -1.993
  410    HB   VAL  55           HB       VAL  55  22.925  -7.392   0.024
  411   1HG1  VAL  55          HG11      VAL  55  21.791  -9.444   0.819
  412   2HG1  VAL  55          HG12      VAL  55  20.308  -8.879   0.048
  413   3HG1  VAL  55          HG13      VAL  55  21.025  -7.954   1.367
  414   1HG2  VAL  55          HG21      VAL  55  21.679  -9.123  -2.110
  415   2HG2  VAL  55          HG22      VAL  55  23.173  -9.447  -1.229
  416   3HG2  VAL  55          HG23      VAL  55  23.084  -8.082  -2.342
  417    H    TYR  56           HN       TYR  56  18.835  -7.497  -0.929
  418    HA   TYR  56           HA       TYR  56  18.178  -6.846   1.671
  419   1HB   TYR  56          HB2       TYR  56  16.720  -4.793   1.273
  420   2HB   TYR  56          HB1       TYR  56  18.461  -4.531   1.239
  421    HD1  TYR  56           HD1      TYR  56  15.417  -4.742  -0.820
  422    HD2  TYR  56           HD2      TYR  56  19.579  -3.870  -0.788
  423    HE1  TYR  56           HE1      TYR  56  15.221  -3.744  -3.057
  424    HE2  TYR  56           HE2      TYR  56  19.393  -2.868  -3.024
  425    HH   TYR  56           HH       TYR  56  17.899  -3.015  -4.986
  426    H    ASN  57           HN       ASN  57  17.483  -8.312  -1.043
  427    HA   ASN  57           HA       ASN  57  15.722  -9.424  -1.969
  428   1HB   ASN  57          HB2       ASN  57  15.748 -10.240   0.488
  429   2HB   ASN  57          HB1       ASN  57  14.330  -9.214   0.689
  430   1HD2  ASN  57          HD21      ASN  57  12.995 -10.951   1.116
  431   2HD2  ASN  57          HD22      ASN  57  12.492 -12.054  -0.115
  432    H    THR  58           HN       THR  58  13.188  -9.374  -2.161
  433    HA   THR  58           HA       THR  58  12.499  -6.581  -2.669
  434    HB   THR  58           HB       THR  58  10.861  -8.998  -3.434
  435    HG1  THR  58           HG1      THR  58  13.027  -9.124  -4.299
  436   1HG2  THR  58          HG21      THR  58  10.011  -7.501  -5.182
  437   2HG2  THR  58          HG22      THR  58  11.051  -6.207  -4.580
  438   3HG2  THR  58          HG23      THR  58   9.737  -6.824  -3.576
  439    H    PHE  59           HN       PHE  59  12.055  -5.875  -0.590
  440    HA   PHE  59           HA       PHE  59   9.983  -7.225   0.953
  441   1HB   PHE  59          HB2       PHE  59  10.600  -5.409   2.653
  442   2HB   PHE  59          HB1       PHE  59  11.830  -6.618   2.279
  443    HD1  PHE  59           HD1      PHE  59  10.756  -3.412   0.684
  444    HD2  PHE  59           HD2      PHE  59  13.927  -5.744   2.296
  445    HE1  PHE  59           HE1      PHE  59  12.355  -1.643   0.083
  446    HE2  PHE  59           HE2      PHE  59  15.531  -3.978   1.700
  447    HZ   PHE  59           HZ       PHE  59  14.746  -1.929   0.587
  448    H    CYS  60           HN       CYS  60   9.635  -5.441  -1.577
  449    HA   CYS  60           HA       CYS  60   7.611  -3.650  -0.402
  450   1HB   CYS  60          HB2       CYS  60   9.214  -3.333  -2.945
  451   2HB   CYS  60          HB1       CYS  60   7.875  -2.291  -2.493
  452    H    ILE  61           HN       ILE  61   5.565  -4.028  -0.868
  453    HA   ILE  61           HA       ILE  61   4.578  -4.973  -3.370
  454    HB   ILE  61           HB       ILE  61   5.088  -7.170  -2.875
  455   1HG1  ILE  61          HG12      ILE  61   2.438  -6.734  -1.479
  456   2HG1  ILE  61          HG11      ILE  61   2.672  -7.033  -3.198
  457   1HG2  ILE  61          HG21      ILE  61   4.548  -6.593   0.033
  458   2HG2  ILE  61          HG22      ILE  61   6.129  -6.758  -0.729
  459   3HG2  ILE  61          HG23      ILE  61   5.053  -8.150  -0.622
  460   1HD1  ILE  61          HD11      ILE  61   1.893  -9.021  -2.028
  461   2HD1  ILE  61          HD12      ILE  61   3.310  -8.962  -0.979
  462   3HD1  ILE  61          HD13      ILE  61   3.503  -9.264  -2.706
  463    H    TYR  62           HN       TYR  62   2.715  -3.828  -3.522
  464    HA   TYR  62           HA       TYR  62   1.602  -2.462  -1.357
  465   1HB   TYR  62          HB2       TYR  62   1.222  -2.451  -4.130
  466   2HB   TYR  62          HB1       TYR  62  -0.364  -2.695  -3.413
  467    HD1  TYR  62           HD1      TYR  62  -1.499  -0.636  -3.439
  468    HD2  TYR  62           HD2      TYR  62   2.571  -0.737  -2.306
  469    HE1  TYR  62           HE1      TYR  62  -1.566   1.784  -2.953
  470    HE2  TYR  62           HE2      TYR  62   2.545   1.652  -1.825
  471    HH   TYR  62           HH       TYR  62   1.351   3.572  -2.400
  472    H    LYS  63           HN       LYS  63  -1.113  -2.845  -2.327
  473    HA   LYS  63           HA       LYS  63  -2.650  -4.820  -2.126
  474   1HB   LYS  63          HB2       LYS  63  -2.872  -5.817   0.067
  475   2HB   LYS  63          HB1       LYS  63  -1.230  -6.017  -0.518
  476   1HG   LYS  63          HG2       LYS  63  -0.548  -4.108   0.905
  477   2HG   LYS  63          HG1       LYS  63  -2.186  -4.066   1.561
  478   1HD   LYS  63          HD2       LYS  63  -1.248  -5.427   3.120
  479   2HD   LYS  63          HD1       LYS  63  -1.672  -6.644   1.917
  480   1HE   LYS  63          HE2       LYS  63   0.654  -6.293   0.960
  481   2HE   LYS  63          HE1       LYS  63   1.013  -5.413   2.444
  482   1HZ   LYS  63          HZ1       LYS  63   0.095  -8.235   2.300
  483   2HZ   LYS  63          HZ2       LYS  63   0.462  -7.385   3.717
  484   3HZ   LYS  63          HZ3       LYS  63   1.683  -7.729   2.598
  485    H    ARG  64           HN       ARG  64  -3.938  -3.053  -2.682
  486    HA   ARG  64           HA       ARG  64  -5.058  -1.587  -0.389
  487   1HB   ARG  64          HB2       ARG  64  -5.903  -0.124  -2.469
  488   2HB   ARG  64          HB1       ARG  64  -4.371   0.165  -1.659
  489   1HG   ARG  64          HG2       ARG  64  -3.437  -1.513  -3.416
  490   2HG   ARG  64          HG1       ARG  64  -4.911  -1.112  -4.302
  491   1HD   ARG  64          HD2       ARG  64  -2.984   0.938  -3.244
  492   2HD   ARG  64          HD1       ARG  64  -2.895   0.271  -4.872
  493    HE   ARG  64           HE       ARG  64  -5.492   1.279  -4.358
  494   1HH1  ARG  64          HH11      ARG  64  -2.237   2.324  -5.034
  495   2HH1  ARG  64          HH12      ARG  64  -2.730   3.810  -5.773
  496   1HH2  ARG  64          HH21      ARG  64  -6.150   3.235  -5.331
  497   2HH2  ARG  64          HH22      ARG  64  -4.953   4.328  -5.942
  498    H    CYS  65           HN       CYS  65  -7.270  -0.622  -2.108
  499    HA   CYS  65           HA       CYS  65  -8.742  -3.112  -2.582
  500   1HB   CYS  65          HB2       CYS  65 -10.099  -0.822  -1.199
  501   2HB   CYS  65          HB1       CYS  65 -10.571  -2.516  -1.270
  502    H    ARG  66           HN       ARG  66  -9.607  -3.057  -4.556
  503    HA   ARG  66           HA       ARG  66  -9.561  -0.761  -6.160
  504   1HB   ARG  66          HB2       ARG  66  -9.694  -3.056  -7.089
  505   2HB   ARG  66          HB1       ARG  66 -11.336  -3.203  -6.478
  506   1HG   ARG  66          HG2       ARG  66 -11.450  -2.724  -8.805
  507   2HG   ARG  66          HG1       ARG  66 -11.964  -1.277  -7.934
  508   1HD   ARG  66          HD2       ARG  66 -10.493  -0.654  -9.746
  509   2HD   ARG  66          HD1       ARG  66  -9.704  -0.346  -8.199
  510    HE   ARG  66           HE       ARG  66  -8.916  -2.874  -8.980
  511   1HH1  ARG  66          HH11      ARG  66  -8.657   0.373 -10.218
  512   2HH1  ARG  66          HH12      ARG  66  -7.145   0.087 -11.012
  513   1HH2  ARG  66          HH21      ARG  66  -6.925  -3.258 -10.021
  514   2HH2  ARG  66          HH22      ARG  66  -6.160  -1.976 -10.900
  515    H    HIS  67           HN       HIS  67 -11.173   0.759  -6.656
  516    HA   HIS  67           HA       HIS  67 -12.811   1.613  -4.614
  517   1HB   HIS  67          HB2       HIS  67 -12.174   3.008  -6.535
  518   2HB   HIS  67          HB1       HIS  67 -13.216   2.047  -7.581
  519    HD1  HIS  67           HD1      HIS  67 -13.719   3.964  -4.320
  520    HD2  HIS  67           HD2      HIS  67 -15.542   3.321  -7.996
  521    HE1  HIS  67           HE1      HIS  67 -15.820   5.346  -4.278
  522    HE2  HIS  67           HE2      HIS  67 -16.880   4.985  -6.535
  523    HA   PRO  68           HA       PRO  68 -16.152  -1.337  -4.381
  524   1HB   PRO  68          HB2       PRO  68 -18.023   0.438  -3.402
  525   2HB   PRO  68          HB1       PRO  68 -16.844  -0.435  -2.420
  526   1HG   PRO  68          HG2       PRO  68 -16.730   2.365  -3.467
  527   2HG   PRO  68          HG1       PRO  68 -16.259   1.743  -1.874
  528   1HD   PRO  68          HD2       PRO  68 -14.412   2.289  -3.712
  529   2HD   PRO  68          HD1       PRO  68 -14.257   0.855  -2.675
  530    H    GLY  69           HN       GLY  69 -16.631   1.881  -5.750
  531   1HA   GLY  69          HA2       GLY  69 -17.469   2.097  -8.012
  532   2HA   GLY  69          HA1       GLY  69 -18.489   0.697  -7.708
  533    H    GLU  70           HN       GLU  70 -19.898   2.490  -8.691
  534    HA   GLU  70           HA       GLU  70 -20.897   4.423  -6.789
  535   1HB   GLU  70          HB2       GLU  70 -20.763   5.019  -9.179
  536   2HB   GLU  70          HB1       GLU  70 -21.870   3.710  -9.564
  537   1HG   GLU  70          HG2       GLU  70 -23.642   4.797  -8.334
  538   2HG   GLU  70          HG1       GLU  70 -22.538   6.075  -7.827
  539    H    LEU  71           HN       LEU  71 -22.434   4.202  -5.450
  540    HA   LEU  71           HA       LEU  71 -24.041   1.759  -5.497
  541   1HB   LEU  71          HB2       LEU  71 -23.043   2.099  -3.384
  542   2HB   LEU  71          HB1       LEU  71 -23.392   3.816  -3.399
  543    HG   LEU  71           HG       LEU  71 -25.781   3.310  -3.114
  544   1HD1  LEU  71          HD11      LEU  71 -26.477   1.048  -2.485
  545   2HD1  LEU  71          HD12      LEU  71 -24.849   0.462  -2.828
  546   3HD1  LEU  71          HD13      LEU  71 -25.848   1.105  -4.132
  547   1HD2  LEU  71          HD21      LEU  71 -24.020   2.067  -1.018
  548   2HD2  LEU  71          HD22      LEU  71 -25.667   2.656  -0.784
  549   3HD2  LEU  71          HD23      LEU  71 -24.373   3.788  -1.180
  550    H    ARG  72           HN       ARG  72 -25.667   2.088  -6.911
  551    HA   ARG  72           HA       ARG  72 -26.938   4.610  -7.260
  552   1HB   ARG  72          HB2       ARG  72 -26.977   2.928  -9.067
  553   2HB   ARG  72          HB1       ARG  72 -27.915   1.846  -8.049
  554   1HG   ARG  72          HG2       ARG  72 -29.790   3.360  -8.087
  555   2HG   ARG  72          HG1       ARG  72 -28.852   4.544  -8.999
  556   1HD   ARG  72          HD2       ARG  72 -28.627   2.883 -10.827
  557   2HD   ARG  72          HD1       ARG  72 -29.681   1.796  -9.923
  558    HE   ARG  72           HE       ARG  72 -30.934   4.305 -10.277
  559   1HH1  ARG  72          HH11      ARG  72 -30.063   1.412 -12.015
  560   2HH1  ARG  72          HH12      ARG  72 -31.344   1.568 -13.171
  561   1HH2  ARG  72          HH21      ARG  72 -32.621   4.517 -11.795
  562   2HH2  ARG  72          HH22      ARG  72 -32.798   3.332 -13.046
  563    H    ASN  73           HN       ASN  73 -28.553   5.534  -6.365
  564    HA   ASN  73           HA       ASN  73 -30.195   6.039  -4.905
  565   1HB   ASN  73          HB2       ASN  73 -30.437   3.035  -4.550
  566   2HB   ASN  73          HB1       ASN  73 -31.566   4.220  -3.896
  567   1HD2  ASN  73          HD21      ASN  73 -31.861   2.014  -5.875
  568   2HD2  ASN  73          HD22      ASN  73 -32.580   2.753  -7.260
  569    H    GLY  74           HN       GLY  74 -27.231   5.171  -4.249
  570   1HA   GLY  74          HA2       GLY  74 -27.649   5.633  -1.388
  571   2HA   GLY  74          HA1       GLY  74 -26.667   4.274  -1.902
  572    H    GLN  75           HN       GLN  75 -25.200   5.494  -0.415
  573    HA   GLN  75           HA       GLN  75 -23.555   7.342  -1.999
  574   1HB   GLN  75          HB2       GLN  75 -24.836   8.695  -0.407
  575   2HB   GLN  75          HB1       GLN  75 -24.257   7.701   0.922
  576   1HG   GLN  75          HG2       GLN  75 -22.895   9.552   1.046
  577   2HG   GLN  75          HG1       GLN  75 -21.908   8.415   0.130
  578   1HE2  GLN  75          HE21      GLN  75 -23.516   8.783  -2.304
  579   2HE2  GLN  75          HE22      GLN  75 -23.050  10.317  -2.943
  580    H    VAL  76           HN       VAL  76 -21.387   7.037  -1.859
  581    HA   VAL  76           HA       VAL  76 -20.513   4.768  -0.194
  582    HB   VAL  76           HB       VAL  76 -19.057   5.823  -2.607
  583   1HG1  VAL  76          HG11      VAL  76 -18.891   3.171  -1.178
  584   2HG1  VAL  76          HG12      VAL  76 -17.778   4.514  -0.925
  585   3HG1  VAL  76          HG13      VAL  76 -17.867   3.728  -2.502
  586   1HG2  VAL  76          HG21      VAL  76 -20.010   3.865  -3.800
  587   2HG2  VAL  76          HG22      VAL  76 -21.219   5.073  -3.364
  588   3HG2  VAL  76          HG23      VAL  76 -21.075   3.589  -2.421
  589    H    GLU  77           HN       GLU  77 -19.658   5.564   1.655
  590    HA   GLU  77           HA       GLU  77 -18.365   8.081   1.863
  591   1HB   GLU  77          HB2       GLU  77 -19.339   7.191   3.840
  592   2HB   GLU  77          HB1       GLU  77 -18.454   5.679   3.683
  593   1HG   GLU  77          HG2       GLU  77 -16.382   6.781   4.207
  594   2HG   GLU  77          HG1       GLU  77 -17.183   8.350   4.231
  595    H    ILE  78           HN       ILE  78 -16.628   8.350   0.520
  596    HA   ILE  78           HA       ILE  78 -14.357   6.512   0.929
  597    HB   ILE  78           HB       ILE  78 -15.040   7.956  -1.633
  598   1HG1  ILE  78          HG12      ILE  78 -16.608   6.172  -1.340
  599   2HG1  ILE  78          HG11      ILE  78 -15.402   5.619  -2.498
  600   1HG2  ILE  78          HG21      ILE  78 -12.834   6.014  -0.971
  601   2HG2  ILE  78          HG22      ILE  78 -12.658   7.719  -1.385
  602   3HG2  ILE  78          HG23      ILE  78 -13.231   6.572  -2.596
  603   1HD1  ILE  78          HD11      ILE  78 -15.981   3.868  -0.926
  604   2HD1  ILE  78          HD12      ILE  78 -15.502   4.902   0.422
  605   3HD1  ILE  78          HD13      ILE  78 -14.295   4.346  -0.738
  606    H    LYS  79           HN       LYS  79 -12.246   7.442   0.831
  607    HA   LYS  79           HA       LYS  79 -11.764  10.200   0.478
  608   1HB   LYS  79          HB2       LYS  79 -11.361  10.886   2.776
  609   2HB   LYS  79          HB1       LYS  79 -13.030  10.371   2.590
  610   1HG   LYS  79          HG2       LYS  79 -10.852   8.618   3.701
  611   2HG   LYS  79          HG1       LYS  79 -11.910   9.624   4.693
  612   1HD   LYS  79          HD2       LYS  79 -13.862   8.426   3.771
  613   2HD   LYS  79          HD1       LYS  79 -12.763   7.381   2.865
  614   1HE   LYS  79          HE2       LYS  79 -11.783   6.579   4.936
  615   2HE   LYS  79          HE1       LYS  79 -12.812   7.666   5.868
  616   1HZ   LYS  79          HZ1       LYS  79 -13.644   5.367   5.798
  617   2HZ   LYS  79          HZ2       LYS  79 -13.817   5.487   4.119
  618   3HZ   LYS  79          HZ3       LYS  79 -14.743   6.472   5.136
  619    H    THR  80           HN       THR  80 -10.786   7.222   2.056
  620    HA   THR  80           HA       THR  80  -8.017   7.971   2.203
  621    HB   THR  80           HB       THR  80  -7.638   5.800   3.143
  622    HG1  THR  80           HG1      THR  80 -10.327   5.140   2.468
  623   1HG2  THR  80          HG21      THR  80  -8.529   7.121   4.815
  624   2HG2  THR  80          HG22      THR  80  -9.660   5.767   4.815
  625   3HG2  THR  80          HG23      THR  80 -10.090   7.277   4.005
  626    H    ASP  81           HN       ASP  81  -9.433   7.743  -0.504
  627    HA   ASP  81           HA       ASP  81  -8.835   7.116  -2.633
  628   1HB   ASP  81          HB2       ASP  81  -6.252   6.545  -1.199
  629   2HB   ASP  81          HB1       ASP  81  -6.425   6.464  -2.948
  630    H    LEU  82           HN       LEU  82  -9.473   5.089  -0.321
  631    HA   LEU  82           HA       LEU  82 -10.046   2.900  -0.164
  632   1HB   LEU  82          HB2       LEU  82  -9.386   2.895  -3.103
  633   2HB   LEU  82          HB1       LEU  82 -10.135   1.554  -2.259
  634    HG   LEU  82           HG       LEU  82 -12.025   2.495  -3.097
  635   1HD1  LEU  82          HD11      LEU  82 -13.129   3.970  -1.521
  636   2HD1  LEU  82          HD12      LEU  82 -11.582   4.364  -0.773
  637   3HD1  LEU  82          HD13      LEU  82 -12.225   2.726  -0.662
  638   1HD2  LEU  82          HD21      LEU  82 -12.273   4.887  -3.632
  639   2HD2  LEU  82          HD22      LEU  82 -10.887   4.149  -4.435
  640   3HD2  LEU  82          HD23      LEU  82 -10.643   5.172  -3.019
  641    H    SER  83           HN       SER  83  -7.728   3.389   0.899
  642    HA   SER  83           HA       SER  83  -5.750   1.529  -0.153
  643   1HB   SER  83          HB2       SER  83  -5.589   3.305   2.303
  644   2HB   SER  83          HB1       SER  83  -4.257   2.426   1.551
  645    HG   SER  83           HG       SER  83  -4.941   3.753  -0.397
  646    H    PHE  84           HN       PHE  84  -5.520  -0.474   0.649
  647    HA   PHE  84           HA       PHE  84  -7.355  -1.873   2.006
  648   1HB   PHE  84          HB2       PHE  84  -5.781  -3.294   1.259
  649   2HB   PHE  84          HB1       PHE  84  -4.468  -2.175   1.593
  650    HD1  PHE  84           HD1      PHE  84  -6.710  -4.672   3.151
  651    HD2  PHE  84           HD2      PHE  84  -3.122  -2.409   3.474
  652    HE1  PHE  84           HE1      PHE  84  -6.027  -6.038   5.078
  653    HE2  PHE  84           HE2      PHE  84  -2.431  -3.761   5.402
  654    HZ   PHE  84           HZ       PHE  84  -3.886  -5.581   6.213
  655    H    GLY  85           HN       GLY  85  -7.855  -2.521   4.048
  656   1HA   GLY  85          HA2       GLY  85  -7.863  -2.515   6.367
  657   2HA   GLY  85          HA1       GLY  85  -6.453  -1.468   6.343
  658    H    SER  86           HN       SER  86  -9.824  -1.178   5.155
  659    HA   SER  86           HA       SER  86 -10.313   0.977   7.005
  660   1HB   SER  86          HB2       SER  86 -10.288   1.551   4.038
  661   2HB   SER  86          HB1       SER  86 -10.853   2.658   5.291
  662    HG   SER  86           HG       SER  86  -8.642   2.370   6.186
  663    H    GLN  87           HN       GLN  87 -12.448   1.755   7.011
  664    HA   GLN  87           HA       GLN  87 -14.378  -0.147   5.856
  665   1HB   GLN  87          HB2       GLN  87 -14.437  -0.456   8.203
  666   2HB   GLN  87          HB1       GLN  87 -14.367   1.272   8.514
  667   1HG   GLN  87          HG2       GLN  87 -16.700   0.326   6.982
  668   2HG   GLN  87          HG1       GLN  87 -16.612  -0.181   8.667
  669   1HE2  GLN  87          HE21      GLN  87 -15.124   2.777   7.771
  670   2HE2  GLN  87          HE22      GLN  87 -16.300   3.839   8.444
  671    H    ILE  88           HN       ILE  88 -15.986   0.651   4.616
  672    HA   ILE  88           HA       ILE  88 -16.332   3.578   4.555
  673    HB   ILE  88           HB       ILE  88 -16.874   3.373   2.136
  674   1HG1  ILE  88          HG12      ILE  88 -15.598   0.642   2.347
  675   2HG1  ILE  88          HG11      ILE  88 -17.338   0.889   2.253
  676   1HG2  ILE  88          HG21      ILE  88 -14.102   2.439   2.862
  677   2HG2  ILE  88          HG22      ILE  88 -14.670   4.101   3.005
  678   3HG2  ILE  88          HG23      ILE  88 -14.576   3.334   1.418
  679   1HD1  ILE  88          HD11      ILE  88 -16.304   0.307   0.095
  680   2HD1  ILE  88          HD12      ILE  88 -15.375   1.804   0.170
  681   3HD1  ILE  88          HD13      ILE  88 -17.135   1.861   0.073
  682    H    GLU  89           HN       GLU  89 -18.228   4.036   5.417
  683    HA   GLU  89           HA       GLU  89 -20.397   2.165   5.440
  684   1HB   GLU  89          HB2       GLU  89 -19.844   4.842   6.588
  685   2HB   GLU  89          HB1       GLU  89 -21.530   4.417   6.347
  686   1HG   GLU  89          HG2       GLU  89 -21.159   2.362   7.665
  687   2HG   GLU  89          HG1       GLU  89 -19.509   2.901   7.975
  688    H    PHE  90           HN       PHE  90 -22.252   2.191   4.297
  689    HA   PHE  90           HA       PHE  90 -22.341   3.960   1.962
  690   1HB   PHE  90          HB2       PHE  90 -23.993   1.493   2.531
  691   2HB   PHE  90          HB1       PHE  90 -23.854   2.345   0.995
  692    HD1  PHE  90           HD1      PHE  90 -22.281  -0.006   3.287
  693    HD2  PHE  90           HD2      PHE  90 -21.809   2.179  -0.343
  694    HE1  PHE  90           HE1      PHE  90 -20.396  -1.456   2.659
  695    HE2  PHE  90           HE2      PHE  90 -19.925   0.728  -0.972
  696    HZ   PHE  90           HZ       PHE  90 -19.217  -1.091   0.528
  697    H    SER  91           HN       SER  91 -24.767   4.428   1.287
  698    HA   SER  91           HA       SER  91 -26.518   4.897   3.523
  699   1HB   SER  91          HB2       SER  91 -25.303   7.271   2.102
  700   2HB   SER  91          HB1       SER  91 -26.608   7.338   3.285
  701    HG   SER  91           HG       SER  91 -23.972   6.390   3.748
  702    H    CYS  92           HN       CYS  92 -28.366   4.237   2.709
  703    HA   CYS  92           HA       CYS  92 -28.965   4.653  -0.109
  704   1HB   CYS  92          HB2       CYS  92 -30.478   3.217   2.086
  705   2HB   CYS  92          HB1       CYS  92 -31.083   3.397   0.444
  706    H    SER  93           HN       SER  93 -29.898   6.445  -0.798
  707    HA   SER  93           HA       SER  93 -30.575   8.615   0.721
  708   1HB   SER  93          HB2       SER  93 -32.014   9.299  -1.279
  709   2HB   SER  93          HB1       SER  93 -30.306   8.969  -1.590
  710    HG   SER  93           HG       SER  93 -32.307   7.899  -2.820
  711    H    GLU  94           HN       GLU  94 -32.691   9.717   0.834
  712    HA   GLU  94           HA       GLU  94 -34.429   8.581   2.590
  713   1HB   GLU  94          HB2       GLU  94 -34.494  10.933   2.164
  714   2HB   GLU  94          HB1       GLU  94 -34.922  10.679   0.478
  715   1HG   GLU  94          HG2       GLU  94 -36.864  11.402   1.607
  716   2HG   GLU  94          HG1       GLU  94 -37.067   9.688   1.250
  717    H    GLY  95           HN       GLY  95 -36.467   7.615   2.477
  718   1HA   GLY  95          HA2       GLY  95 -38.185   6.358   1.585
  719   2HA   GLY  95          HA1       GLY  95 -37.646   6.836  -0.018
  720    H    PHE  96           HN       PHE  96 -34.892   5.814   0.438
  721    HA   PHE  96           HA       PHE  96 -35.544   2.957   0.141
  722   1HB   PHE  96          HB2       PHE  96 -33.090   4.227  -1.048
  723   2HB   PHE  96          HB1       PHE  96 -33.897   2.735  -1.517
  724    HD1  PHE  96           HD1      PHE  96 -36.110   2.875  -2.707
  725    HD2  PHE  96           HD2      PHE  96 -33.610   6.261  -2.082
  726    HE1  PHE  96           HE1      PHE  96 -37.300   4.077  -4.492
  727    HE2  PHE  96           HE2      PHE  96 -34.796   7.471  -3.866
  728    HZ   PHE  96           HZ       PHE  96 -36.645   6.380  -5.074
  729    H    PHE  97           HN       PHE  97 -34.804   1.766   1.773
  730    HA   PHE  97           HA       PHE  97 -32.717   2.861   3.479
  731   1HB   PHE  97          HB2       PHE  97 -33.306   1.137   5.071
  732   2HB   PHE  97          HB1       PHE  97 -34.760   1.952   4.520
  733    HD1  PHE  97           HD1      PHE  97 -33.343  -1.140   5.229
  734    HD2  PHE  97           HD2      PHE  97 -35.930   0.773   2.443
  735    HE1  PHE  97           HE1      PHE  97 -34.365  -3.313   4.689
  736    HE2  PHE  97           HE2      PHE  97 -36.951  -1.396   1.893
  737    HZ   PHE  97           HZ       PHE  97 -36.171  -3.442   3.020
  738    H    LEU  98           HN       LEU  98 -31.171   1.214   4.411
  739    HA   LEU  98           HA       LEU  98 -29.767   0.055   2.138
  740   1HB   LEU  98          HB2       LEU  98 -28.666   1.629   3.746
  741   2HB   LEU  98          HB1       LEU  98 -28.782   0.369   4.961
  742    HG   LEU  98           HG       LEU  98 -27.455  -0.268   2.366
  743   1HD1  LEU  98          HD11      LEU  98 -25.313   0.530   3.296
  744   2HD1  LEU  98          HD12      LEU  98 -26.203   1.302   4.608
  745   3HD1  LEU  98          HD13      LEU  98 -26.448   1.833   2.944
  746   1HD2  LEU  98          HD21      LEU  98 -27.875  -2.007   4.047
  747   2HD2  LEU  98          HD22      LEU  98 -26.922  -1.092   5.214
  748   3HD2  LEU  98          HD23      LEU  98 -26.152  -1.750   3.770
  749    H    ILE  99           HN       ILE  99 -29.195  -2.000   1.931
  750    HA   ILE  99           HA       ILE  99 -29.613  -3.997   4.000
  751    HB   ILE  99           HB       ILE  99 -30.855  -4.697   1.394
  752   1HG1  ILE  99          HG12      ILE  99 -32.638  -3.372   3.373
  753   2HG1  ILE  99          HG11      ILE  99 -31.689  -2.346   2.304
  754   1HG2  ILE  99          HG21      ILE  99 -31.662  -5.283   4.236
  755   2HG2  ILE  99          HG22      ILE  99 -30.606  -6.295   3.251
  756   3HG2  ILE  99          HG23      ILE  99 -32.288  -6.054   2.779
  757   1HD1  ILE  99          HD11      ILE  99 -33.945  -2.791   1.453
  758   2HD1  ILE  99          HD12      ILE  99 -33.559  -4.511   1.380
  759   3HD1  ILE  99          HD13      ILE  99 -32.680  -3.364   0.367
  760    H    GLY 100           HN       GLY 100 -27.739  -4.907   3.936
  761   1HA   GLY 100          HA2       GLY 100 -26.722  -6.629   2.107
  762   2HA   GLY 100          HA1       GLY 100 -26.108  -5.062   1.572
  763    H    SER 101           HN       SER 101 -25.339  -3.710   3.505
  764    HA   SER 101           HA       SER 101 -24.231  -4.678   5.816
  765   1HB   SER 101          HB2       SER 101 -22.905  -6.220   4.388
  766   2HB   SER 101          HB1       SER 101 -22.234  -4.831   3.534
  767    HG   SER 101           HG       SER 101 -21.999  -4.760   6.285
  768    H    THR 102           HN       THR 102 -24.392  -2.672   6.706
  769    HA   THR 102           HA       THR 102 -24.045  -0.302   5.215
  770    HB   THR 102           HB       THR 102 -24.235   0.892   7.341
  771    HG1  THR 102           HG1      THR 102 -24.592  -1.339   8.902
  772   1HG2  THR 102          HG21      THR 102 -26.404  -0.012   8.102
  773   2HG2  THR 102          HG22      THR 102 -26.116  -1.462   7.140
  774   3HG2  THR 102          HG23      THR 102 -26.304   0.101   6.345
  775    H    THR 103           HN       THR 103 -21.793  -2.445   6.336
  776    HA   THR 103           HA       THR 103 -19.738  -0.349   6.332
  777    HB   THR 103           HB       THR 103 -18.391  -1.851   7.775
  778    HG1  THR 103           HG1      THR 103 -19.396  -3.826   7.513
  779   1HG2  THR 103          HG21      THR 103 -21.020  -0.856   8.846
  780   2HG2  THR 103          HG22      THR 103 -19.492   0.025   8.774
  781   3HG2  THR 103          HG23      THR 103 -19.664  -1.355   9.861
  782    H    SER 104           HN       SER 104 -17.669  -1.002   5.461
  783    HA   SER 104           HA       SER 104 -17.604  -3.478   3.945
  784   1HB   SER 104          HB2       SER 104 -18.492  -1.772   2.368
  785   2HB   SER 104          HB1       SER 104 -17.075  -0.771   2.684
  786    HG   SER 104           HG       SER 104 -17.311  -3.108   1.199
  787    H    ARG 105           HN       ARG 105 -15.767  -4.402   4.545
  788    HA   ARG 105           HA       ARG 105 -13.550  -2.724   5.504
  789   1HB   ARG 105          HB2       ARG 105 -13.991  -5.694   5.865
  790   2HB   ARG 105          HB1       ARG 105 -12.731  -4.730   6.623
  791   1HG   ARG 105          HG2       ARG 105 -14.431  -3.454   7.829
  792   2HG   ARG 105          HG1       ARG 105 -15.693  -4.425   7.070
  793   1HD   ARG 105          HD2       ARG 105 -15.207  -5.214   9.328
  794   2HD   ARG 105          HD1       ARG 105 -14.800  -6.432   8.120
  795    HE   ARG 105           HE       ARG 105 -12.475  -5.042   8.561
  796   1HH1  ARG 105          HH11      ARG 105 -14.707  -6.875  10.509
  797   2HH1  ARG 105          HH12      ARG 105 -13.499  -7.390  11.638
  798   1HH2  ARG 105          HH21      ARG 105 -10.878  -5.715  10.042
  799   2HH2  ARG 105          HH22      ARG 105 -11.322  -6.731  11.373
  800    H    CYS 106           HN       CYS 106 -11.430  -4.390   5.289
  801    HA   CYS 106           HA       CYS 106 -11.182  -5.116   2.471
  802   1HB   CYS 106          HB2       CYS 106  -9.693  -2.928   3.853
  803   2HB   CYS 106          HB1       CYS 106  -8.855  -3.887   2.638
  804    H    GLU 107           HN       GLU 107 -10.404  -7.082   2.416
  805    HA   GLU 107           HA       GLU 107  -8.554  -7.968   4.522
  806   1HB   GLU 107          HB2       GLU 107 -10.957  -9.127   3.373
  807   2HB   GLU 107          HB1       GLU 107  -9.594 -10.232   3.261
  808   1HG   GLU 107          HG2       GLU 107 -10.626  -8.924   5.769
  809   2HG   GLU 107          HG1       GLU 107 -10.879 -10.601   5.288
  810    H    VAL 108           HN       VAL 108  -7.011  -9.688   3.772
  811    HA   VAL 108           HA       VAL 108  -6.309  -9.201   0.961
  812    HB   VAL 108           HB       VAL 108  -4.291  -9.524   3.174
  813   1HG1  VAL 108          HG11      VAL 108  -3.932  -8.796   0.271
  814   2HG1  VAL 108          HG12      VAL 108  -3.660 -10.415   0.928
  815   3HG1  VAL 108          HG13      VAL 108  -2.658  -9.063   1.465
  816   1HG2  VAL 108          HG21      VAL 108  -4.755  -7.081   1.510
  817   2HG2  VAL 108          HG22      VAL 108  -3.875  -7.232   3.034
  818   3HG2  VAL 108          HG23      VAL 108  -5.637  -7.341   3.017
  819    H    GLN 109           HN       GLN 109  -6.143 -10.824  -0.273
  820    HA   GLN 109           HA       GLN 109  -5.414 -13.451   0.822
  821   1HB   GLN 109          HB2       GLN 109  -7.066 -14.041  -1.308
  822   2HB   GLN 109          HB1       GLN 109  -7.513 -14.107   0.391
  823   1HG   GLN 109          HG2       GLN 109  -7.746 -11.495  -0.984
  824   2HG   GLN 109          HG1       GLN 109  -8.920 -12.747  -1.386
  825   1HE2  GLN 109          HE21      GLN 109 -10.595 -11.557  -0.465
  826   2HE2  GLN 109          HE22      GLN 109 -10.782 -11.413   1.246
  827    H    ASP 110           HN       ASP 110  -3.484 -13.914  -0.006
  828    HA   ASP 110           HA       ASP 110  -1.752 -14.149  -1.463
  829   1HB   ASP 110          HB2       ASP 110  -4.111 -14.487  -3.312
  830   2HB   ASP 110          HB1       ASP 110  -2.449 -14.762  -3.826
  831    H    ARG 111           HN       ARG 111  -2.290 -13.256  -4.413
  832    HA   ARG 111           HA       ARG 111  -1.108 -10.689  -4.127
  833   1HB   ARG 111          HB2       ARG 111  -2.136 -12.174  -6.546
  834   2HB   ARG 111          HB1       ARG 111  -1.233 -10.673  -6.609
  835   1HG   ARG 111          HG2       ARG 111   0.700 -11.740  -5.631
  836   2HG   ARG 111          HG1       ARG 111  -0.204 -13.244  -5.441
  837   1HD   ARG 111          HD2       ARG 111   1.254 -13.314  -7.404
  838   2HD   ARG 111          HD1       ARG 111  -0.447 -13.424  -7.854
  839    HE   ARG 111           HE       ARG 111   0.428 -10.734  -7.939
  840   1HH1  ARG 111          HH11      ARG 111   0.650 -13.750  -9.668
  841   2HH1  ARG 111          HH12      ARG 111   0.910 -12.998 -11.206
  842   1HH2  ARG 111          HH21      ARG 111   0.768  -9.735  -9.961
  843   2HH2  ARG 111          HH22      ARG 111   0.978 -10.716 -11.372
  844    H    GLY 112           HN       GLY 112  -3.910 -11.113  -3.107
  845   1HA   GLY 112          HA2       GLY 112  -5.083  -8.803  -4.488
  846   2HA   GLY 112          HA1       GLY 112  -6.065 -10.238  -4.227
  847    H    VAL 113           HN       VAL 113  -6.897  -7.831  -3.323
  848    HA   VAL 113           HA       VAL 113  -7.318  -8.272  -0.566
  849    HB   VAL 113           HB       VAL 113  -5.220  -7.529   0.031
  850   1HG1  VAL 113          HG11      VAL 113  -5.306  -5.341  -2.026
  851   2HG1  VAL 113          HG12      VAL 113  -4.610  -6.936  -2.325
  852   3HG1  VAL 113          HG13      VAL 113  -3.918  -5.893  -1.079
  853   1HG2  VAL 113          HG21      VAL 113  -6.840  -4.996  -0.107
  854   2HG2  VAL 113          HG22      VAL 113  -5.387  -5.230   0.866
  855   3HG2  VAL 113          HG23      VAL 113  -6.837  -6.175   1.205
  856    H    GLY 114           HN       GLY 114  -8.583  -6.607   0.456
  857   1HA   GLY 114          HA2       GLY 114  -9.398  -4.293   0.067
  858   2HA   GLY 114          HA1       GLY 114  -9.835  -4.852  -1.535
  859    H    TRP 115           HN       TRP 115 -11.946  -4.120  -1.072
  860    HA   TRP 115           HA       TRP 115 -13.549  -4.861   1.062
  861   1HB   TRP 115          HB2       TRP 115 -14.704  -4.585  -1.690
  862   2HB   TRP 115          HB1       TRP 115 -15.366  -4.047  -0.150
  863    HD1  TRP 115           HD1      TRP 115 -13.645  -2.762  -3.122
  864    HE1  TRP 115           HE1      TRP 115 -12.781  -0.371  -2.723
  865    HE3  TRP 115           HE3      TRP 115 -14.179  -2.541   1.955
  866    HZ2  TRP 115           HZ2      TRP 115 -12.378   1.372  -0.545
  867    HZ3  TRP 115           HZ3      TRP 115 -13.529  -0.476   3.120
  868    HH2  TRP 115           HH2      TRP 115 -12.646   1.441   1.894
  869    H    SER 116           HN       SER 116 -14.992  -6.478   1.465
  870    HA   SER 116           HA       SER 116 -14.556  -8.957  -0.025
  871   1HB   SER 116          HB2       SER 116 -14.247  -9.120   2.380
  872   2HB   SER 116          HB1       SER 116 -15.853  -8.443   2.664
  873    HG   SER 116           HG       SER 116 -16.631 -10.324   1.435
  874    H    HIS 117           HN       HIS 117 -16.809  -6.444   0.405
  875    HA   HIS 117           HA       HIS 117 -18.575  -7.334  -1.581
  876   1HB   HIS 117          HB2       HIS 117 -19.253  -8.966   0.158
  877   2HB   HIS 117          HB1       HIS 117 -19.662  -7.629   1.226
  878    HD1  HIS 117           HD1      HIS 117 -21.930  -6.576   0.951
  879    HD2  HIS 117           HD2      HIS 117 -20.996  -9.212  -2.121
  880    HE1  HIS 117           HE1      HIS 117 -24.051  -6.845  -0.370
  881    HE2  HIS 117           HE2      HIS 117 -23.433  -8.363  -2.285
  882    HA   PRO 118           HA       PRO 118 -19.140  -2.943  -0.541
  883   1HB   PRO 118          HB2       PRO 118 -18.555  -1.922  -2.934
  884   2HB   PRO 118          HB1       PRO 118 -17.286  -2.525  -1.863
  885   1HG   PRO 118          HG2       PRO 118 -18.426  -3.740  -4.320
  886   2HG   PRO 118          HG1       PRO 118 -16.792  -3.874  -3.652
  887   1HD   PRO 118          HD2       PRO 118 -18.925  -5.737  -3.385
  888   2HD   PRO 118          HD1       PRO 118 -17.339  -5.798  -2.592
  889    H    LEU 119           HN       LEU 119 -20.182  -1.216  -2.349
  890    HA   LEU 119           HA       LEU 119 -22.384  -0.482  -2.578
  891   1HB   LEU 119          HB2       LEU 119 -22.017  -2.347  -4.905
  892   2HB   LEU 119          HB1       LEU 119 -22.945  -0.871  -4.844
  893    HG   LEU 119           HG       LEU 119 -19.964  -1.167  -4.937
  894   1HD1  LEU 119          HD11      LEU 119 -20.208   0.382  -6.820
  895   2HD1  LEU 119          HD12      LEU 119 -21.956   0.361  -6.593
  896   3HD1  LEU 119          HD13      LEU 119 -21.110  -1.114  -7.061
  897   1HD2  LEU 119          HD21      LEU 119 -19.810   1.260  -4.591
  898   2HD2  LEU 119          HD22      LEU 119 -20.406   0.416  -3.162
  899   3HD2  LEU 119          HD23      LEU 119 -21.529   1.299  -4.198
  900    HA   PRO 120           HA       PRO 120 -24.899  -3.956  -0.984
  901   1HB   PRO 120          HB2       PRO 120 -26.375  -1.882   0.424
  902   2HB   PRO 120          HB1       PRO 120 -25.437  -3.220   1.090
  903   1HG   PRO 120          HG2       PRO 120 -24.669  -0.623   1.304
  904   2HG   PRO 120          HG1       PRO 120 -23.521  -1.972   1.245
  905   1HD   PRO 120          HD2       PRO 120 -24.348  -0.089  -0.933
  906   2HD   PRO 120          HD1       PRO 120 -22.734  -0.723  -0.543
  907    H    GLN 121           HN       GLN 121 -27.570  -3.443  -0.453
  908    HA   GLN 121           HA       GLN 121 -28.580  -2.705  -3.106
  909   1HB   GLN 121          HB2       GLN 121 -29.506  -4.660  -1.023
  910   2HB   GLN 121          HB1       GLN 121 -30.590  -4.091  -2.277
  911   1HG   GLN 121          HG2       GLN 121 -29.014  -4.930  -3.979
  912   2HG   GLN 121          HG1       GLN 121 -27.999  -5.562  -2.682
  913   1HE2  GLN 121          HE21      GLN 121 -28.208  -7.683  -3.347
  914   2HE2  GLN 121          HE22      GLN 121 -29.679  -8.572  -3.175
  915    H    CYS 122           HN       CYS 122 -29.696  -0.848  -3.239
  916    HA   CYS 122           HA       CYS 122 -30.901   0.225  -0.781
  917   1HB   CYS 122          HB2       CYS 122 -30.029   1.548  -3.351
  918   2HB   CYS 122          HB1       CYS 122 -31.055   2.364  -2.177
  919    H    GLU 123           HN       GLU 123 -32.994  -0.376  -0.581
  920    HA   GLU 123           HA       GLU 123 -34.698  -0.225  -2.982
  921   1HB   GLU 123          HB2       GLU 123 -34.191  -2.582  -2.286
  922   2HB   GLU 123          HB1       GLU 123 -34.958  -2.237  -0.742
  923   1HG   GLU 123          HG2       GLU 123 -36.490  -3.396  -2.196
  924   2HG   GLU 123          HG1       GLU 123 -37.058  -1.752  -1.902
  925    H    ILE 124           HN       ILE 124 -36.742   0.515  -2.712
  926    HA   ILE 124           HA       ILE 124 -37.138   2.531  -0.800
  927    HB   ILE 124           HB       ILE 124 -38.239   2.449  -3.025
  928   1HG1  ILE 124          HG12      ILE 124 -40.594   3.056  -2.113
  929   2HG1  ILE 124          HG11      ILE 124 -39.876   2.790  -0.527
  930   1HG2  ILE 124          HG21      ILE 124 -38.804   0.079  -3.050
  931   2HG2  ILE 124          HG22      ILE 124 -40.230   1.074  -3.340
  932   3HG2  ILE 124          HG23      ILE 124 -39.977   0.336  -1.758
  933   1HD1  ILE 124          HD11      ILE 124 -38.941   4.771  -2.587
  934   2HD1  ILE 124          HD12      ILE 124 -38.194   4.496  -1.013
  935   3HD1  ILE 124          HD13      ILE 124 -39.835   5.135  -1.110
  936    H    LEU 125           HN       LEU 125 -38.749   2.671   0.867
  937    HA   LEU 125           HA       LEU 125 -38.789   0.399   2.581
  938   1HB   LEU 125          HB2       LEU 125 -40.204   3.058   2.719
  939   2HB   LEU 125          HB1       LEU 125 -40.298   1.848   3.983
  940    HG   LEU 125           HG       LEU 125 -37.719   3.119   3.059
  941   1HD1  LEU 125          HD11      LEU 125 -39.183   4.804   4.035
  942   2HD1  LEU 125          HD12      LEU 125 -37.836   4.442   5.113
  943   3HD1  LEU 125          HD13      LEU 125 -39.436   3.780   5.448
  944   1HD2  LEU 125          HD21      LEU 125 -36.738   2.124   4.985
  945   2HD2  LEU 125          HD22      LEU 125 -37.617   0.853   4.133
  946   3HD2  LEU 125          HD23      LEU 125 -38.308   1.585   5.582
  947    H    GLU 126           HN       GLU 126 -41.112   1.906   0.415
  948    HA   GLU 126           HA       GLU 126 -42.646  -0.494   0.230
  949   1HB   GLU 126          HB2       GLU 126 -43.496   0.413   2.375
  950   2HB   GLU 126          HB1       GLU 126 -43.971   1.887   1.543
  951   1HG   GLU 126          HG2       GLU 126 -45.465   0.514   0.104
  952   2HG   GLU 126          HG1       GLU 126 -45.073  -0.877   1.113
  953    H    HIS 127           HN       HIS 127 -42.286  -0.268  -1.968
  954    HA   HIS 127           HA       HIS 127 -44.186   1.226  -3.425
  955   1HB   HIS 127          HB2       HIS 127 -42.727   3.118  -2.883
  956   2HB   HIS 127          HB1       HIS 127 -41.345   2.259  -3.554
  957    HD1  HIS 127           HD1      HIS 127 -44.380   4.190  -4.540
  958    HD2  HIS 127           HD2      HIS 127 -41.203   2.220  -6.359
  959    HE1  HIS 127           HE1      HIS 127 -44.430   4.912  -6.949
  960    HE2  HIS 127           HE2      HIS 127 -42.538   3.659  -8.043
  961    H    HIS 128           HN       HIS 128 -44.425   0.411  -5.447
  962    HA   HIS 128           HA       HIS 128 -42.275  -1.032  -6.738
  963   1HB   HIS 128          HB2       HIS 128 -43.257  -2.723  -5.219
  964   2HB   HIS 128          HB1       HIS 128 -44.827  -2.469  -5.976
  965    HD1  HIS 128           HD1      HIS 128 -41.630  -4.265  -6.388
  966    HD2  HIS 128           HD2      HIS 128 -45.015  -3.450  -8.658
  967    HE1  HIS 128           HE1      HIS 128 -41.533  -5.854  -8.334
  968    HE2  HIS 128           HE2      HIS 128 -43.581  -5.331  -9.705
  969    H    HIS 129           HN       HIS 129 -42.359  -0.533  -8.822
  970    HA   HIS 129           HA       HIS 129 -44.882  -0.458 -10.236
  971   1HB   HIS 129          HB2       HIS 129 -44.714   1.825  -9.326
  972   2HB   HIS 129          HB1       HIS 129 -43.135   2.008 -10.082
  973    HD1  HIS 129           HD1      HIS 129 -43.172   3.132 -12.277
  974    HD2  HIS 129           HD2      HIS 129 -46.807   1.314 -11.413
  975    HE1  HIS 129           HE1      HIS 129 -44.698   3.743 -14.181
  976    HE2  HIS 129           HE2      HIS 129 -46.901   2.653 -13.624
  977    H    HIS 130           HN       HIS 130 -41.622   0.879 -10.783
  978    HA   HIS 130           HA       HIS 130 -40.968  -1.198 -12.666
  979   1HB   HIS 130          HB2       HIS 130 -42.364   0.224 -14.080
  980   2HB   HIS 130          HB1       HIS 130 -41.401   1.633 -13.645
  981    HD1  HIS 130           HD1      HIS 130 -41.400  -1.379 -15.835
  982    HD2  HIS 130           HD2      HIS 130 -38.888   1.800 -14.909
  983    HE1  HIS 130           HE1      HIS 130 -39.605  -1.404 -17.597
  984    HE2  HIS 130           HE2      HIS 130 -38.081   0.512 -17.001
  985    H    HIS 131           HN       HIS 131 -38.871  -1.587 -12.438
  986    HA   HIS 131           HA       HIS 131 -37.044   0.648 -11.925
  987   1HB   HIS 131          HB2       HIS 131 -37.114  -1.926 -10.338
  988   2HB   HIS 131          HB1       HIS 131 -35.861  -0.696 -10.211
  989    HD1  HIS 131           HD1      HIS 131 -39.378  -1.435  -9.223
  990    HD2  HIS 131           HD2      HIS 131 -36.602   1.629  -8.820
  991    HE1  HIS 131           HE1      HIS 131 -40.333   0.111  -7.484
  992    HE2  HIS 131           HE2      HIS 131 -38.610   1.931  -7.217
  993    H    HIS 132           HN       HIS 132 -34.854   0.249 -12.505
  994    HA   HIS 132           HA       HIS 132 -34.611  -1.686 -14.671
  995   1HB   HIS 132          HB2       HIS 132 -33.912   0.623 -15.102
  996   2HB   HIS 132          HB1       HIS 132 -32.750   0.530 -13.783
  997    HD1  HIS 132           HD1      HIS 132 -33.318  -0.616 -17.299
  998    HD2  HIS 132           HD2      HIS 132 -30.379  -0.825 -14.368
  999    HE1  HIS 132           HE1      HIS 132 -31.262  -1.471 -18.469
 1000    HE2  HIS 132           HE2      HIS 132 -29.509  -1.634 -16.666
  Start of MODEL    4
    1   1H    MET   0           HT1      MET   0  34.017  -3.867   1.486
    2   2H    MET   0           HT2      MET   0  32.662  -4.026   0.486
    3   3H    MET   0           HT3      MET   0  32.583  -3.054   1.869
    4    HA   MET   0           HA       MET   0  34.270  -1.580   0.923
    5   1HB   MET   0          HB2       MET   0  33.898  -3.410  -1.453
    6   2HB   MET   0          HB1       MET   0  34.618  -1.812  -1.576
    7   1HG   MET   0          HG2       MET   0  36.382  -3.387  -1.475
    8   2HG   MET   0          HG1       MET   0  36.341  -2.541   0.070
    9   1HE   MET   0          HE1       MET   0  35.512  -5.949  -1.790
   10   2HE   MET   0          HE2       MET   0  33.957  -5.325  -1.243
   11   3HE   MET   0          HE3       MET   0  34.627  -6.784  -0.516
   12    H    ASN   1           HN       ASN   1  33.596   0.270  -0.277
   13    HA   ASN   1           HA       ASN   1  30.885   0.863  -0.083
   14   1HB   ASN   1          HB2       ASN   1  33.235   2.158  -1.369
   15   2HB   ASN   1          HB1       ASN   1  31.636   2.734  -1.833
   16   1HD2  ASN   1          HD21      ASN   1  30.301   3.652  -0.271
   17   2HD2  ASN   1          HD22      ASN   1  30.922   4.272   1.215
   18    H    CYS   2           HN       CYS   2  29.188   0.913  -1.496
   19    HA   CYS   2           HA       CYS   2  29.475  -0.760  -3.867
   20   1HB   CYS   2          HB2       CYS   2  26.924   0.393  -2.739
   21   2HB   CYS   2          HB1       CYS   2  27.096  -0.968  -3.843
   22    H    GLY   3           HN       GLY   3  27.670   0.010  -5.606
   23   1HA   GLY   3          HA2       GLY   3  28.677   2.557  -6.581
   24   2HA   GLY   3          HA1       GLY   3  27.642   1.437  -7.460
   25    HA   PRO   4           HA       PRO   4  25.462   5.451  -5.694
   26   1HB   PRO   4          HB2       PRO   4  24.705   5.231  -8.594
   27   2HB   PRO   4          HB1       PRO   4  24.849   6.676  -7.582
   28   1HG   PRO   4          HG2       PRO   4  26.820   6.039  -9.231
   29   2HG   PRO   4          HG1       PRO   4  27.187   6.599  -7.592
   30   1HD   PRO   4          HD2       PRO   4  27.336   3.850  -8.730
   31   2HD   PRO   4          HD1       PRO   4  28.329   4.607  -7.469
   32    HA   PRO   5           HA       PRO   5  22.101   2.715  -4.654
   33   1HB   PRO   5          HB2       PRO   5  20.754   5.355  -4.286
   34   2HB   PRO   5          HB1       PRO   5  20.797   3.953  -3.210
   35   1HG   PRO   5          HG2       PRO   5  22.319   6.063  -2.708
   36   2HG   PRO   5          HG1       PRO   5  22.954   4.423  -2.478
   37   1HD   PRO   5          HD2       PRO   5  23.489   6.377  -4.672
   38   2HD   PRO   5          HD1       PRO   5  24.585   5.205  -3.914
   39    HA   PRO   6           HA       PRO   6  20.004   2.766  -8.648
   40   1HB   PRO   6          HB2       PRO   6  18.548   0.497  -8.079
   41   2HB   PRO   6          HB1       PRO   6  20.184   0.484  -8.745
   42   1HG   PRO   6          HG2       PRO   6  19.263   0.075  -5.940
   43   2HG   PRO   6          HG1       PRO   6  20.571  -0.731  -6.822
   44   1HD   PRO   6          HD2       PRO   6  21.029   1.209  -5.004
   45   2HD   PRO   6          HD1       PRO   6  22.059   0.976  -6.429
   46    H    THR   7           HN       THR   7  17.656   2.229  -9.178
   47    HA   THR   7           HA       THR   7  15.943   3.874  -7.451
   48    HB   THR   7           HB       THR   7  15.510   3.054 -10.332
   49    HG1  THR   7           HG1      THR   7  17.260   4.507 -10.134
   50   1HG2  THR   7          HG21      THR   7  14.105   5.162  -8.691
   51   2HG2  THR   7          HG22      THR   7  13.451   3.560  -9.029
   52   3HG2  THR   7          HG23      THR   7  13.739   4.691 -10.351
   53    H    LEU   8           HN       LEU   8  14.249   2.960  -6.402
   54    HA   LEU   8           HA       LEU   8  13.605   0.176  -7.071
   55   1HB   LEU   8          HB2       LEU   8  13.181   1.656  -4.478
   56   2HB   LEU   8          HB1       LEU   8  12.827  -0.036  -4.766
   57    HG   LEU   8           HG       LEU   8  15.358  -0.199  -5.357
   58   1HD1  LEU   8          HD11      LEU   8  16.735   1.370  -4.046
   59   2HD1  LEU   8          HD12      LEU   8  15.286   2.318  -3.709
   60   3HD1  LEU   8          HD13      LEU   8  15.866   2.152  -5.367
   61   1HD2  LEU   8          HD21      LEU   8  15.879  -0.641  -3.000
   62   2HD2  LEU   8          HD22      LEU   8  14.316  -1.313  -3.463
   63   3HD2  LEU   8          HD23      LEU   8  14.391   0.179  -2.526
   64    H    SER   9           HN       SER   9  11.297  -0.244  -5.887
   65    HA   SER   9           HA       SER   9   9.413   1.743  -6.969
   66   1HB   SER   9          HB2       SER   9   9.153  -1.267  -7.198
   67   2HB   SER   9          HB1       SER   9   7.989  -0.080  -7.786
   68    HG   SER   9           HG       SER   9   9.175  -0.450  -9.542
   69    H    PHE  10           HN       PHE  10   9.915  -0.958  -4.755
   70    HA   PHE  10           HA       PHE  10   7.463  -0.652  -3.356
   71   1HB   PHE  10          HB2       PHE  10   9.726  -1.764  -1.831
   72   2HB   PHE  10          HB1       PHE  10   8.136  -2.450  -2.149
   73    HD1  PHE  10           HD1      PHE  10  11.602  -2.321  -3.162
   74    HD2  PHE  10           HD2      PHE  10   7.722  -3.682  -4.253
   75    HE1  PHE  10           HE1      PHE  10  12.608  -3.856  -4.797
   76    HE2  PHE  10           HE2      PHE  10   8.721  -5.224  -5.892
   77    HZ   PHE  10           HZ       PHE  10  11.166  -5.311  -6.166
   78    H    ALA  11           HN       ALA  11  10.373   1.124  -3.349
   79    HA   ALA  11           HA       ALA  11   9.399   2.732  -1.109
   80   1HB   ALA  11          HB1       ALA  11  10.864   1.096  -0.081
   81   2HB   ALA  11          HB2       ALA  11  11.567   2.711   0.003
   82   3HB   ALA  11          HB3       ALA  11  12.165   1.548  -1.182
   83    H    ALA  12           HN       ALA  12  10.275   4.786  -0.956
   84    HA   ALA  12           HA       ALA  12  11.963   5.671  -3.202
   85   1HB   ALA  12          HB1       ALA  12   9.689   7.155  -1.886
   86   2HB   ALA  12          HB2       ALA  12   9.676   6.436  -3.496
   87   3HB   ALA  12          HB3       ALA  12  10.736   7.803  -3.148
   88    HA   PRO  13           HA       PRO  13  15.048   7.226  -0.454
   89   1HB   PRO  13          HB2       PRO  13  14.681   9.803  -1.920
   90   2HB   PRO  13          HB1       PRO  13  16.169   8.931  -1.536
   91   1HG   PRO  13          HG2       PRO  13  15.123   8.853  -3.992
   92   2HG   PRO  13          HG1       PRO  13  15.895   7.428  -3.273
   93   1HD   PRO  13          HD2       PRO  13  13.018   7.989  -3.739
   94   2HD   PRO  13          HD1       PRO  13  13.871   6.436  -3.682
   95    H    MET  14           HN       MET  14  15.083   8.209   1.495
   96    HA   MET  14           HA       MET  14  13.178  10.338   2.084
   97   1HB   MET  14          HB2       MET  14  12.075   8.145   2.617
   98   2HB   MET  14          HB1       MET  14  13.341   7.861   3.804
   99   1HG   MET  14          HG2       MET  14  11.332   8.703   4.862
  100   2HG   MET  14          HG1       MET  14  12.657   9.855   5.024
  101   1HE   MET  14          HE1       MET  14   9.900  12.468   4.763
  102   2HE   MET  14          HE2       MET  14  11.225  11.763   5.691
  103   3HE   MET  14          HE3       MET  14   9.675  10.925   5.590
  104    H    ASP  15           HN       ASP  15  16.172   8.897   2.427
  105    HA   ASP  15           HA       ASP  15  17.009  10.938   4.333
  106   1HB   ASP  15          HB2       ASP  15  16.594   8.929   5.698
  107   2HB   ASP  15          HB1       ASP  15  17.680   8.003   4.668
  108    H    ILE  16           HN       ILE  16  19.167   8.354   3.751
  109    HA   ILE  16           HA       ILE  16  21.263   8.431   2.829
  110    HB   ILE  16           HB       ILE  16  20.191   7.266   1.102
  111   1HG1  ILE  16          HG12      ILE  16  21.597   9.604  -0.188
  112   2HG1  ILE  16          HG11      ILE  16  22.379   8.161   0.452
  113   1HG2  ILE  16          HG21      ILE  16  18.979   9.891   0.302
  114   2HG2  ILE  16          HG22      ILE  16  18.157   8.421   0.828
  115   3HG2  ILE  16          HG23      ILE  16  18.958   8.471  -0.742
  116   1HD1  ILE  16          HD11      ILE  16  21.116   6.821  -1.215
  117   2HD1  ILE  16          HD12      ILE  16  22.256   7.969  -1.917
  118   3HD1  ILE  16          HD13      ILE  16  20.530   8.332  -1.910
  119    H    THR  17           HN       THR  17  22.132  10.295   3.760
  120    HA   THR  17           HA       THR  17  21.816  12.904   2.892
  121    HB   THR  17           HB       THR  17  24.253  13.226   3.599
  122    HG1  THR  17           HG1      THR  17  25.351  11.445   3.857
  123   1HG2  THR  17          HG21      THR  17  22.234  12.029   5.497
  124   2HG2  THR  17          HG22      THR  17  22.474  13.737   5.131
  125   3HG2  THR  17          HG23      THR  17  23.710  12.841   6.012
  126    H    LEU  18           HN       LEU  18  21.817  13.438   0.791
  127    HA   LEU  18           HA       LEU  18  23.397  12.157  -1.156
  128   1HB   LEU  18          HB2       LEU  18  21.536  14.445  -1.056
  129   2HB   LEU  18          HB1       LEU  18  22.699  14.464  -2.363
  130    HG   LEU  18           HG       LEU  18  20.718  13.449  -3.209
  131   1HD1  LEU  18          HD11      LEU  18  22.726  12.362  -3.966
  132   2HD1  LEU  18          HD12      LEU  18  21.471  11.148  -3.725
  133   3HD1  LEU  18          HD13      LEU  18  22.757  11.337  -2.532
  134   1HD2  LEU  18          HD21      LEU  18  20.656  12.190  -0.553
  135   2HD2  LEU  18          HD22      LEU  18  20.144  11.162  -1.892
  136   3HD2  LEU  18          HD23      LEU  18  19.333  12.702  -1.603
  137    H    THR  19           HN       THR  19  25.488  12.359  -0.088
  138    HA   THR  19           HA       THR  19  26.862  14.805  -0.910
  139    HB   THR  19           HB       THR  19  27.996  15.108   1.175
  140    HG1  THR  19           HG1      THR  19  27.094  12.542   1.642
  141   1HG2  THR  19          HG21      THR  19  25.037  14.672   1.603
  142   2HG2  THR  19          HG22      THR  19  25.849  16.179   1.168
  143   3HG2  THR  19          HG23      THR  19  26.093  15.475   2.766
  144    H    GLU  20           HN       GLU  20  26.658  11.487  -0.652
  145    HA   GLU  20           HA       GLU  20  29.416  11.169  -1.598
  146   1HB   GLU  20          HB2       GLU  20  28.057   9.341   0.394
  147   2HB   GLU  20          HB1       GLU  20  29.667   9.120  -0.280
  148   1HG   GLU  20          HG2       GLU  20  30.315  11.292   0.769
  149   2HG   GLU  20          HG1       GLU  20  28.745  11.301   1.575
  150    H    THR  21           HN       THR  21  29.579   9.918  -3.380
  151    HA   THR  21           HA       THR  21  27.156   8.928  -4.587
  152    HB   THR  21           HB       THR  21  29.818   8.284  -5.753
  153    HG1  THR  21           HG1      THR  21  29.988  10.473  -4.972
  154   1HG2  THR  21          HG21      THR  21  27.627   7.728  -6.836
  155   2HG2  THR  21          HG22      THR  21  28.701   8.719  -7.824
  156   3HG2  THR  21          HG23      THR  21  27.333   9.460  -6.992
  157    H    ARG  22           HN       ARG  22  29.393   7.665  -2.439
  158    HA   ARG  22           HA       ARG  22  28.653   4.909  -3.163
  159   1HB   ARG  22          HB2       ARG  22  31.276   5.853  -2.020
  160   2HB   ARG  22          HB1       ARG  22  30.823   4.173  -2.278
  161   1HG   ARG  22          HG2       ARG  22  30.672   4.571  -4.678
  162   2HG   ARG  22          HG1       ARG  22  31.105   6.263  -4.427
  163   1HD   ARG  22          HD2       ARG  22  32.837   3.908  -3.690
  164   2HD   ARG  22          HD1       ARG  22  33.010   4.867  -5.159
  165    HE   ARG  22           HE       ARG  22  33.105   6.646  -3.045
  166   1HH1  ARG  22          HH11      ARG  22  34.939   3.909  -4.175
  167   2HH1  ARG  22          HH12      ARG  22  36.440   4.483  -3.530
  168   1HH2  ARG  22          HH21      ARG  22  35.077   7.414  -2.197
  169   2HH2  ARG  22          HH22      ARG  22  36.519   6.479  -2.405
  170    H    PHE  23           HN       PHE  23  28.631   3.409  -1.282
  171    HA   PHE  23           HA       PHE  23  28.419   4.649   1.343
  172   1HB   PHE  23          HB2       PHE  23  26.133   3.042   0.174
  173   2HB   PHE  23          HB1       PHE  23  26.188   3.787   1.768
  174    HD1  PHE  23           HD1      PHE  23  25.469   5.991   2.084
  175    HD2  PHE  23           HD2      PHE  23  26.197   4.550  -1.850
  176    HE1  PHE  23           HE1      PHE  23  24.499   8.051   1.153
  177    HE2  PHE  23           HE2      PHE  23  25.242   6.602  -2.788
  178    HZ   PHE  23           HZ       PHE  23  24.382   8.359  -1.288
  179    H    LYS  24           HN       LYS  24  29.680   3.427   2.573
  180    HA   LYS  24           HA       LYS  24  30.722   0.945   1.950
  181   1HB   LYS  24          HB2       LYS  24  31.084   0.794   4.518
  182   2HB   LYS  24          HB1       LYS  24  31.888   2.060   3.601
  183   1HG   LYS  24          HG2       LYS  24  30.170   3.654   4.279
  184   2HG   LYS  24          HG1       LYS  24  29.341   2.381   5.178
  185   1HD   LYS  24          HD2       LYS  24  30.607   3.636   6.751
  186   2HD   LYS  24          HD1       LYS  24  31.444   2.099   6.522
  187   1HE   LYS  24          HE2       LYS  24  33.039   3.924   6.558
  188   2HE   LYS  24          HE1       LYS  24  32.989   3.189   4.956
  189   1HZ   LYS  24          HZ1       LYS  24  33.017   5.654   4.949
  190   2HZ   LYS  24          HZ2       LYS  24  31.497   5.645   5.687
  191   3HZ   LYS  24          HZ3       LYS  24  31.688   4.990   4.141
  192    H    THR  25           HN       THR  25  30.519  -1.013   3.502
  193    HA   THR  25           HA       THR  25  27.911  -2.086   3.135
  194    HB   THR  25           HB       THR  25  28.972  -3.979   4.604
  195    HG1  THR  25           HG1      THR  25  31.011  -3.713   5.082
  196   1HG2  THR  25          HG21      THR  25  29.866  -5.009   2.637
  197   2HG2  THR  25          HG22      THR  25  30.148  -3.436   1.884
  198   3HG2  THR  25          HG23      THR  25  28.500  -4.010   2.128
  199    H    GLY  26           HN       GLY  26  29.279  -0.203   5.555
  200   1HA   GLY  26          HA2       GLY  26  27.483  -1.229   7.647
  201   2HA   GLY  26          HA1       GLY  26  28.811  -0.102   7.896
  202    H    THR  27           HN       THR  27  26.811   0.379   5.209
  203    HA   THR  27           HA       THR  27  25.694   2.805   6.442
  204    HB   THR  27           HB       THR  27  26.996   2.770   4.160
  205    HG1  THR  27           HG1      THR  27  25.882   4.586   5.130
  206   1HG2  THR  27          HG21      THR  27  24.210   2.377   3.110
  207   2HG2  THR  27          HG22      THR  27  25.328   1.019   3.281
  208   3HG2  THR  27          HG23      THR  27  25.742   2.373   2.228
  209    H    THR  28           HN       THR  28  23.459   3.341   6.140
  210    HA   THR  28           HA       THR  28  21.690   1.301   5.107
  211    HB   THR  28           HB       THR  28  21.641   2.048   8.038
  212    HG1  THR  28           HG1      THR  28  22.501   0.128   8.328
  213   1HG2  THR  28          HG21      THR  28  19.723   0.199   6.635
  214   2HG2  THR  28          HG22      THR  28  19.376   1.907   6.896
  215   3HG2  THR  28          HG23      THR  28  19.622   0.837   8.276
  216    H    LEU  29           HN       LEU  29  20.111   2.262   4.068
  217    HA   LEU  29           HA       LEU  29  19.611   5.089   4.551
  218   1HB   LEU  29          HB2       LEU  29  18.697   3.246   2.344
  219   2HB   LEU  29          HB1       LEU  29  18.262   4.940   2.452
  220    HG   LEU  29           HG       LEU  29  20.730   5.477   2.353
  221   1HD1  LEU  29          HD11      LEU  29  21.523   3.243   3.039
  222   2HD1  LEU  29          HD12      LEU  29  22.244   3.790   1.527
  223   3HD1  LEU  29          HD13      LEU  29  20.947   2.595   1.504
  224   1HD2  LEU  29          HD21      LEU  29  19.454   5.838   0.397
  225   2HD2  LEU  29          HD22      LEU  29  19.345   4.111   0.062
  226   3HD2  LEU  29          HD23      LEU  29  20.889   4.946  -0.109
  227    H    LYS  30           HN       LYS  30  17.023   5.437   3.787
  228    HA   LYS  30           HA       LYS  30  15.543   3.954   5.858
  229   1HB   LYS  30          HB2       LYS  30  15.808   6.377   6.293
  230   2HB   LYS  30          HB1       LYS  30  14.976   6.723   4.784
  231   1HG   LYS  30          HG2       LYS  30  12.929   5.949   5.596
  232   2HG   LYS  30          HG1       LYS  30  13.686   5.088   6.937
  233   1HD   LYS  30          HD2       LYS  30  13.822   8.080   6.665
  234   2HD   LYS  30          HD1       LYS  30  12.491   7.267   7.492
  235   1HE   LYS  30          HE2       LYS  30  15.409   6.971   8.198
  236   2HE   LYS  30          HE1       LYS  30  14.265   8.018   9.039
  237   1HZ   LYS  30          HZ1       LYS  30  14.421   6.019  10.266
  238   2HZ   LYS  30          HZ2       LYS  30  14.231   5.058   8.889
  239   3HZ   LYS  30          HZ3       LYS  30  12.928   5.965   9.472
  240    H    TYR  31           HN       TYR  31  14.507   5.949   3.106
  241    HA   TYR  31           HA       TYR  31  13.152   5.534   1.338
  242   1HB   TYR  31          HB2       TYR  31  14.201   2.811   1.927
  243   2HB   TYR  31          HB1       TYR  31  12.816   2.944   0.847
  244    HD1  TYR  31           HD1      TYR  31  13.069   3.710  -1.382
  245    HD2  TYR  31           HD2      TYR  31  16.342   3.951   1.325
  246    HE1  TYR  31           HE1      TYR  31  14.568   4.244  -3.253
  247    HE2  TYR  31           HE2      TYR  31  17.850   4.487  -0.542
  248    HH   TYR  31           HH       TYR  31  17.901   4.109  -3.037
  249    H    THR  32           HN       THR  32  11.023   5.583   1.099
  250    HA   THR  32           HA       THR  32   9.356   4.844   3.348
  251    HB   THR  32           HB       THR  32   7.697   6.210   2.429
  252    HG1  THR  32           HG1      THR  32   8.750   5.335   0.036
  253   1HG2  THR  32          HG21      THR  32   9.555   7.588   3.078
  254   2HG2  THR  32          HG22      THR  32   8.877   8.251   1.590
  255   3HG2  THR  32          HG23      THR  32  10.364   7.302   1.537
  256    H    CYS  33           HN       CYS  33   6.945   4.483   1.822
  257    HA   CYS  33           HA       CYS  33   7.234   2.219   0.093
  258   1HB   CYS  33          HB2       CYS  33   7.570   1.081   2.229
  259   2HB   CYS  33          HB1       CYS  33   6.089   1.792   2.863
  260    H    LEU  34           HN       LEU  34   5.857   2.687  -1.361
  261    HA   LEU  34           HA       LEU  34   3.840   4.543  -1.336
  262   1HB   LEU  34          HB2       LEU  34   3.796   2.069  -3.047
  263   2HB   LEU  34          HB1       LEU  34   3.127   3.645  -3.425
  264    HG   LEU  34           HG       LEU  34   6.067   2.973  -3.190
  265   1HD1  LEU  34          HD11      LEU  34   6.044   3.590  -5.621
  266   2HD1  LEU  34          HD12      LEU  34   4.282   3.550  -5.542
  267   3HD1  LEU  34          HD13      LEU  34   5.212   2.086  -5.221
  268   1HD2  LEU  34          HD21      LEU  34   5.469   5.263  -2.413
  269   2HD2  LEU  34          HD22      LEU  34   4.815   5.581  -4.019
  270   3HD2  LEU  34          HD23      LEU  34   6.533   5.225  -3.820
  271    HA   PRO  35           HA       PRO  35   0.109   3.405   0.612
  272   1HB   PRO  35          HB2       PRO  35  -1.531   3.152  -1.701
  273   2HB   PRO  35          HB1       PRO  35  -1.395   4.533  -0.613
  274   1HG   PRO  35          HG2       PRO  35  -0.078   4.049  -3.221
  275   2HG   PRO  35          HG1       PRO  35  -0.516   5.580  -2.445
  276   1HD   PRO  35          HD2       PRO  35   2.030   4.772  -2.588
  277   2HD   PRO  35          HD1       PRO  35   1.411   5.619  -1.153
  278    H    GLY  36           HN       GLY  36  -0.582   1.745  -2.407
  279   1HA   GLY  36          HA2       GLY  36  -1.714  -0.506  -1.223
  280   2HA   GLY  36          HA1       GLY  36  -1.101  -0.444  -2.866
  281    H    TYR  37           HN       TYR  37   1.605   0.258  -1.687
  282    HA   TYR  37           HA       TYR  37   2.616  -2.416  -1.702
  283   1HB   TYR  37          HB2       TYR  37   3.757   0.305  -1.367
  284   2HB   TYR  37          HB1       TYR  37   4.665  -1.007  -0.627
  285    HD1  TYR  37           HD1      TYR  37   4.700  -3.171  -2.394
  286    HD2  TYR  37           HD2      TYR  37   4.616   0.965  -3.376
  287    HE1  TYR  37           HE1      TYR  37   5.761  -3.671  -4.554
  288    HE2  TYR  37           HE2      TYR  37   5.681   0.477  -5.541
  289    HH   TYR  37           HH       TYR  37   5.915  -2.635  -6.808
  290    H    VAL  38           HN       VAL  38   1.354  -3.416   0.048
  291    HA   VAL  38           HA       VAL  38   2.044  -2.519   2.751
  292    HB   VAL  38           HB       VAL  38   0.056  -3.504   3.497
  293   1HG1  VAL  38          HG11      VAL  38  -1.683  -2.589   2.165
  294   2HG1  VAL  38          HG12      VAL  38  -0.719  -2.726   0.694
  295   3HG1  VAL  38          HG13      VAL  38  -0.276  -1.550   1.934
  296   1HG2  VAL  38          HG21      VAL  38  -1.220  -5.185   2.344
  297   2HG2  VAL  38          HG22      VAL  38   0.463  -5.705   2.410
  298   3HG2  VAL  38          HG23      VAL  38  -0.196  -5.040   0.915
  299    H    ARG  39           HN       ARG  39   1.741  -4.635   4.264
  300    HA   ARG  39           HA       ARG  39   2.957  -6.366   5.113
  301   1HB   ARG  39          HB2       ARG  39   2.102  -7.436   2.433
  302   2HB   ARG  39          HB1       ARG  39   2.760  -8.435   3.723
  303   1HG   ARG  39          HG2       ARG  39   0.910  -7.755   5.179
  304   2HG   ARG  39          HG1       ARG  39   0.245  -6.786   3.864
  305   1HD   ARG  39          HD2       ARG  39   0.004  -8.804   2.501
  306   2HD   ARG  39          HD1       ARG  39   0.663  -9.771   3.822
  307    HE   ARG  39           HE       ARG  39  -1.592  -8.257   4.665
  308   1HH1  ARG  39          HH11      ARG  39  -0.662 -11.114   2.905
  309   2HH1  ARG  39          HH12      ARG  39  -2.145 -11.950   3.223
  310   1HH2  ARG  39          HH21      ARG  39  -3.548  -9.347   5.090
  311   2HH2  ARG  39          HH22      ARG  39  -3.787 -10.944   4.464
  312    H    SER  40           HN       SER  40   4.395  -8.382   3.741
  313    HA   SER  40           HA       SER  40   6.486  -8.947   3.127
  314   1HB   SER  40          HB2       SER  40   5.732  -7.756   1.041
  315   2HB   SER  40          HB1       SER  40   6.560  -6.320   1.642
  316    HG   SER  40           HG       SER  40   7.655  -8.795   0.856
  317    H    HIS  41           HN       HIS  41   5.894  -6.355   5.109
  318    HA   HIS  41           HA       HIS  41   8.324  -5.049   5.399
  319   1HB   HIS  41          HB2       HIS  41   6.653  -5.778   7.787
  320   2HB   HIS  41          HB1       HIS  41   7.584  -4.314   7.504
  321    HD1  HIS  41           HD1      HIS  41   4.261  -5.181   7.825
  322    HD2  HIS  41           HD2      HIS  41   6.328  -3.054   4.915
  323    HE1  HIS  41           HE1      HIS  41   2.531  -3.773   6.666
  324    HE2  HIS  41           HE2      HIS  41   3.821  -2.421   4.976
  325    H    SER  42           HN       SER  42  10.198  -5.443   6.477
  326    HA   SER  42           HA       SER  42  10.666  -7.430   8.381
  327   1HB   SER  42          HB2       SER  42  10.177  -8.957   6.459
  328   2HB   SER  42          HB1       SER  42  11.552  -8.254   5.608
  329    HG   SER  42           HG       SER  42  12.613  -8.898   7.804
  330    H    THR  43           HN       THR  43  11.553  -4.967   6.334
  331    HA   THR  43           HA       THR  43  14.101  -4.647   7.685
  332    HB   THR  43           HB       THR  43  14.072  -4.617   4.672
  333    HG1  THR  43           HG1      THR  43  14.866  -6.668   6.483
  334   1HG2  THR  43          HG21      THR  43  16.285  -4.535   6.723
  335   2HG2  THR  43          HG22      THR  43  15.801  -3.235   5.635
  336   3HG2  THR  43          HG23      THR  43  16.537  -4.699   4.986
  337    H    GLN  44           HN       GLN  44  12.884  -3.271   4.678
  338    HA   GLN  44           HA       GLN  44  12.150  -1.189   4.108
  339   1HB   GLN  44          HB2       GLN  44  12.076  -0.675   7.090
  340   2HB   GLN  44          HB1       GLN  44  11.431   0.399   5.857
  341   1HG   GLN  44          HG2       GLN  44  10.469  -2.393   6.431
  342   2HG   GLN  44          HG1       GLN  44   9.681  -0.900   6.938
  343   1HE2  GLN  44          HE21      GLN  44   8.596  -3.008   5.320
  344   2HE2  GLN  44          HE22      GLN  44   8.179  -2.306   3.796
  345    H    THR  45           HN       THR  45  14.936  -1.932   4.386
  346    HA   THR  45           HA       THR  45  16.070   0.728   4.338
  347    HB   THR  45           HB       THR  45  17.978   0.123   5.813
  348    HG1  THR  45           HG1      THR  45  17.746  -1.712   7.153
  349   1HG2  THR  45          HG21      THR  45  16.160   1.469   6.721
  350   2HG2  THR  45          HG22      THR  45  16.783   0.369   7.952
  351   3HG2  THR  45          HG23      THR  45  15.262   0.007   7.134
  352    H    LEU  46           HN       LEU  46  18.195   0.780   3.388
  353    HA   LEU  46           HA       LEU  46  18.775  -1.605   1.752
  354   1HB   LEU  46          HB2       LEU  46  18.603   1.268   1.020
  355   2HB   LEU  46          HB1       LEU  46  19.896   0.346   0.281
  356    HG   LEU  46           HG       LEU  46  18.278  -1.213  -0.673
  357   1HD1  LEU  46          HD11      LEU  46  16.245   0.484   0.755
  358   2HD1  LEU  46          HD12      LEU  46  16.564  -1.236   0.982
  359   3HD1  LEU  46          HD13      LEU  46  15.847  -0.663  -0.524
  360   1HD2  LEU  46          HD21      LEU  46  18.874   0.752  -1.978
  361   2HD2  LEU  46          HD22      LEU  46  17.574   1.667  -1.211
  362   3HD2  LEU  46          HD23      LEU  46  17.191   0.303  -2.259
  363    H    THR  47           HN       THR  47  20.447  -2.532   2.763
  364    HA   THR  47           HA       THR  47  22.678  -0.831   3.666
  365    HB   THR  47           HB       THR  47  22.223  -3.725   4.409
  366    HG1  THR  47           HG1      THR  47  21.707  -2.032   6.431
  367   1HG2  THR  47          HG21      THR  47  23.864  -1.552   5.712
  368   2HG2  THR  47          HG22      THR  47  24.501  -2.852   4.706
  369   3HG2  THR  47          HG23      THR  47  23.734  -3.225   6.249
  370    H    CYS  48           HN       CYS  48  24.823  -1.411   3.115
  371    HA   CYS  48           HA       CYS  48  25.007  -2.838   0.614
  372   1HB   CYS  48          HB2       CYS  48  26.728  -0.984   2.151
  373   2HB   CYS  48          HB1       CYS  48  27.578  -2.200   1.212
  374    H    ASN  49           HN       ASN  49  25.301  -4.898   0.542
  375    HA   ASN  49           HA       ASN  49  26.437  -6.318   2.821
  376   1HB   ASN  49          HB2       ASN  49  25.740  -8.339   1.328
  377   2HB   ASN  49          HB1       ASN  49  24.474  -7.383   2.102
  378   1HD2  ASN  49          HD21      ASN  49  23.417  -5.763   0.832
  379   2HD2  ASN  49          HD22      ASN  49  23.258  -5.980  -0.874
  380    H    SER  50           HN       SER  50  27.784  -8.384   1.941
  381    HA   SER  50           HA       SER  50  30.035  -7.204   0.517
  382   1HB   SER  50          HB2       SER  50  30.496  -8.520   2.533
  383   2HB   SER  50          HB1       SER  50  29.732  -9.934   1.803
  384    HG   SER  50           HG       SER  50  31.400 -10.155   0.437
  385    H    ASP  51           HN       ASP  51  28.385  -7.083  -1.263
  386    HA   ASP  51           HA       ASP  51  28.891  -9.161  -3.264
  387   1HB   ASP  51          HB2       ASP  51  26.086  -8.286  -2.603
  388   2HB   ASP  51          HB1       ASP  51  26.580  -9.476  -3.801
  389    H    GLY  52           HN       GLY  52  28.890  -6.066  -2.357
  390   1HA   GLY  52          HA2       GLY  52  28.904  -4.059  -3.455
  391   2HA   GLY  52          HA1       GLY  52  29.215  -4.998  -4.907
  392    H    GLU  53           HN       GLU  53  26.419  -5.776  -3.229
  393    HA   GLU  53           HA       GLU  53  24.730  -4.056  -4.928
  394   1HB   GLU  53          HB2       GLU  53  23.247  -5.840  -5.371
  395   2HB   GLU  53          HB1       GLU  53  24.855  -6.508  -5.623
  396   1HG   GLU  53          HG2       GLU  53  24.735  -7.420  -3.289
  397   2HG   GLU  53          HG1       GLU  53  23.047  -6.918  -3.256
  398    H    TRP  54           HN       TRP  54  22.490  -3.815  -4.057
  399    HA   TRP  54           HA       TRP  54  22.592  -3.447  -1.182
  400   1HB   TRP  54          HB2       TRP  54  20.626  -2.522  -3.287
  401   2HB   TRP  54          HB1       TRP  54  20.524  -2.128  -1.578
  402    HD1  TRP  54           HD1      TRP  54  22.334  -1.162  -4.760
  403    HE1  TRP  54           HE1      TRP  54  23.817   0.896  -4.299
  404    HE3  TRP  54           HE3      TRP  54  21.923  -1.008   0.311
  405    HZ2  TRP  54           HZ2      TRP  54  24.691   2.391  -2.062
  406    HZ3  TRP  54           HZ3      TRP  54  23.106   0.764   1.553
  407    HH2  TRP  54           HH2      TRP  54  24.464   2.427   0.386
  408    H    VAL  55           HN       VAL  55  21.845  -4.957   0.076
  409    HA   VAL  55           HA       VAL  55  19.904  -6.927  -0.920
  410    HB   VAL  55           HB       VAL  55  22.123  -6.997   1.063
  411   1HG1  VAL  55          HG11      VAL  55  20.097  -7.317   2.447
  412   2HG1  VAL  55          HG12      VAL  55  21.156  -8.726   2.406
  413   3HG1  VAL  55          HG13      VAL  55  19.676  -8.706   1.445
  414   1HG2  VAL  55          HG21      VAL  55  20.920  -9.274  -0.473
  415   2HG2  VAL  55          HG22      VAL  55  22.567  -9.104   0.146
  416   3HG2  VAL  55          HG23      VAL  55  22.032  -8.129  -1.224
  417    H    TYR  56           HN       TYR  56  17.948  -7.172   0.186
  418    HA   TYR  56           HA       TYR  56  17.479  -6.125   2.719
  419   1HB   TYR  56          HB2       TYR  56  15.999  -4.153   2.051
  420   2HB   TYR  56          HB1       TYR  56  17.737  -3.925   1.860
  421    HD1  TYR  56           HD1      TYR  56  18.697  -3.533  -0.286
  422    HD2  TYR  56           HD2      TYR  56  14.592  -4.592   0.040
  423    HE1  TYR  56           HE1      TYR  56  18.367  -2.957  -2.654
  424    HE2  TYR  56           HE2      TYR  56  14.247  -4.021  -2.326
  425    HH   TYR  56           HH       TYR  56  15.264  -2.681  -4.065
  426    H    ASN  57           HN       ASN  57  16.650  -7.930   0.230
  427    HA   ASN  57           HA       ASN  57  14.851  -9.156  -0.455
  428   1HB   ASN  57          HB2       ASN  57  14.142  -8.801   2.465
  429   2HB   ASN  57          HB1       ASN  57  13.387  -9.971   1.385
  430   1HD2  ASN  57          HD21      ASN  57  14.499 -11.799   0.791
  431   2HD2  ASN  57          HD22      ASN  57  15.977 -12.284   1.541
  432    H    THR  58           HN       THR  58  12.198  -9.208   0.111
  433    HA   THR  58           HA       THR  58  11.338  -6.611  -0.888
  434    HB   THR  58           HB       THR  58   9.531  -8.983  -0.439
  435    HG1  THR  58           HG1      THR  58  10.194  -8.988  -2.952
  436   1HG2  THR  58          HG21      THR  58   9.483  -6.670  -2.382
  437   2HG2  THR  58          HG22      THR  58   8.452  -6.865  -0.967
  438   3HG2  THR  58          HG23      THR  58   8.301  -7.976  -2.327
  439    H    PHE  59           HN       PHE  59  10.477  -5.117   0.410
  440    HA   PHE  59           HA       PHE  59   9.640  -5.981   3.089
  441   1HB   PHE  59          HB2       PHE  59  10.063  -3.520   3.669
  442   2HB   PHE  59          HB1       PHE  59  11.466  -4.539   3.349
  443    HD1  PHE  59           HD1      PHE  59  12.926  -4.099   1.559
  444    HD2  PHE  59           HD2      PHE  59   9.285  -1.929   1.926
  445    HE1  PHE  59           HE1      PHE  59  13.690  -2.535  -0.177
  446    HE2  PHE  59           HE2      PHE  59  10.042  -0.360   0.190
  447    HZ   PHE  59           HZ       PHE  59  12.246  -0.663  -0.865
  448    H    CYS  60           HN       CYS  60   8.386  -4.968   0.190
  449    HA   CYS  60           HA       CYS  60   5.837  -4.331   1.457
  450   1HB   CYS  60          HB2       CYS  60   7.178  -2.527  -0.562
  451   2HB   CYS  60          HB1       CYS  60   5.481  -2.418  -0.111
  452    H    ILE  61           HN       ILE  61   4.020  -4.630   0.068
  453    HA   ILE  61           HA       ILE  61   4.505  -5.760  -2.560
  454    HB   ILE  61           HB       ILE  61   3.059  -7.734  -2.125
  455   1HG1  ILE  61          HG12      ILE  61   3.432  -6.940   0.772
  456   2HG1  ILE  61          HG11      ILE  61   1.910  -6.945  -0.116
  457   1HG2  ILE  61          HG21      ILE  61   5.746  -7.395  -1.668
  458   2HG2  ILE  61          HG22      ILE  61   4.904  -8.938  -1.813
  459   3HG2  ILE  61          HG23      ILE  61   5.195  -8.238  -0.219
  460   1HD1  ILE  61          HD11      ILE  61   3.578  -9.312   0.692
  461   2HD1  ILE  61          HD12      ILE  61   2.221  -9.414  -0.429
  462   3HD1  ILE  61          HD13      ILE  61   1.954  -8.890   1.235
  463    H    TYR  62           HN       TYR  62   3.447  -4.127  -3.488
  464    HA   TYR  62           HA       TYR  62   1.174  -2.728  -2.882
  465   1HB   TYR  62          HB2       TYR  62   2.790  -2.956  -5.072
  466   2HB   TYR  62          HB1       TYR  62   1.233  -3.525  -5.674
  467    HD1  TYR  62           HD1      TYR  62   3.203  -0.695  -5.111
  468    HD2  TYR  62           HD2      TYR  62  -0.832  -2.009  -4.946
  469    HE1  TYR  62           HE1      TYR  62   2.458   1.639  -5.226
  470    HE2  TYR  62           HE2      TYR  62  -1.603   0.324  -5.071
  471    HH   TYR  62           HH       TYR  62   0.568   2.935  -5.777
  472    H    LYS  63           HN       LYS  63  -0.851  -3.319  -2.386
  473    HA   LYS  63           HA       LYS  63  -2.286  -5.020  -4.214
  474   1HB   LYS  63          HB2       LYS  63  -3.129  -6.445  -2.375
  475   2HB   LYS  63          HB1       LYS  63  -1.403  -6.634  -2.647
  476   1HG   LYS  63          HG2       LYS  63  -0.938  -5.182  -0.738
  477   2HG   LYS  63          HG1       LYS  63  -2.669  -4.991  -0.463
  478   1HD   LYS  63          HD2       LYS  63  -2.260  -6.685   1.005
  479   2HD   LYS  63          HD1       LYS  63  -2.570  -7.640  -0.444
  480   1HE   LYS  63          HE2       LYS  63   0.165  -6.859  -0.381
  481   2HE   LYS  63          HE1       LYS  63  -0.255  -7.625   1.151
  482   1HZ   LYS  63          HZ1       LYS  63  -1.231  -9.468  -0.210
  483   2HZ   LYS  63          HZ2       LYS  63   0.448  -9.325  -0.321
  484   3HZ   LYS  63          HZ3       LYS  63  -0.529  -8.763  -1.579
  485    H    ARG  64           HN       ARG  64  -4.017  -3.826  -4.695
  486    HA   ARG  64           HA       ARG  64  -5.357  -2.383  -2.507
  487   1HB   ARG  64          HB2       ARG  64  -6.078  -0.780  -4.395
  488   2HB   ARG  64          HB1       ARG  64  -4.443  -0.652  -3.764
  489   1HG   ARG  64          HG2       ARG  64  -3.967  -2.353  -5.752
  490   2HG   ARG  64          HG1       ARG  64  -5.389  -1.546  -6.417
  491   1HD   ARG  64          HD2       ARG  64  -2.977  -0.093  -5.347
  492   2HD   ARG  64          HD1       ARG  64  -3.195  -0.512  -7.047
  493    HE   ARG  64           HE       ARG  64  -5.328   1.030  -5.811
  494   1HH1  ARG  64          HH11      ARG  64  -2.454   1.017  -7.782
  495   2HH1  ARG  64          HH12      ARG  64  -2.783   2.559  -8.500
  496   1HH2  ARG  64          HH21      ARG  64  -5.766   3.067  -6.751
  497   2HH2  ARG  64          HH22      ARG  64  -4.659   3.726  -7.909
  498    H    CYS  65           HN       CYS  65  -7.664  -2.098  -2.746
  499    HA   CYS  65           HA       CYS  65  -8.869  -4.423  -4.041
  500   1HB   CYS  65          HB2       CYS  65 -10.239  -2.466  -2.197
  501   2HB   CYS  65          HB1       CYS  65 -10.733  -4.107  -2.593
  502    H    ARG  66           HN       ARG  66 -10.140  -4.233  -5.811
  503    HA   ARG  66           HA       ARG  66 -10.140  -1.879  -7.267
  504   1HB   ARG  66          HB2       ARG  66 -10.555  -3.895  -8.462
  505   2HB   ARG  66          HB1       ARG  66 -11.919  -4.311  -7.434
  506   1HG   ARG  66          HG2       ARG  66 -12.611  -3.573  -9.668
  507   2HG   ARG  66          HG1       ARG  66 -13.239  -2.531  -8.390
  508   1HD   ARG  66          HD2       ARG  66 -11.459  -0.915  -8.827
  509   2HD   ARG  66          HD1       ARG  66 -10.826  -1.954 -10.105
  510    HE   ARG  66           HE       ARG  66 -13.491  -1.455 -10.702
  511   1HH1  ARG  66          HH11      ARG  66 -10.523   0.343 -10.376
  512   2HH1  ARG  66          HH12      ARG  66 -10.991   1.565 -11.511
  513   1HH2  ARG  66          HH21      ARG  66 -14.113   0.152 -12.194
  514   2HH2  ARG  66          HH22      ARG  66 -13.029   1.457 -12.544
  515    H    HIS  67           HN       HIS  67 -11.489  -0.181  -7.451
  516    HA   HIS  67           HA       HIS  67 -13.016   0.576  -5.214
  517   1HB   HIS  67          HB2       HIS  67 -11.949   2.088  -6.966
  518   2HB   HIS  67          HB1       HIS  67 -13.317   1.701  -8.003
  519    HD1  HIS  67           HD1      HIS  67 -15.415   3.032  -7.667
  520    HD2  HIS  67           HD2      HIS  67 -12.689   3.529  -4.572
  521    HE1  HIS  67           HE1      HIS  67 -16.343   4.888  -6.247
  522    HE2  HIS  67           HE2      HIS  67 -14.700   5.141  -4.352
  523    HA   PRO  68           HA       PRO  68 -16.647  -1.973  -5.986
  524   1HB   PRO  68          HB2       PRO  68 -18.316  -0.388  -4.403
  525   2HB   PRO  68          HB1       PRO  68 -17.407  -1.795  -3.851
  526   1HG   PRO  68          HG2       PRO  68 -16.766   1.099  -3.584
  527   2HG   PRO  68          HG1       PRO  68 -16.421  -0.241  -2.474
  528   1HD   PRO  68          HD2       PRO  68 -14.499   0.848  -4.010
  529   2HD   PRO  68          HD1       PRO  68 -14.522  -0.888  -3.636
  530    H    GLY  69           HN       GLY  69 -16.337   1.446  -6.500
  531   1HA   GLY  69          HA2       GLY  69 -17.049   2.395  -8.574
  532   2HA   GLY  69          HA1       GLY  69 -18.317   1.184  -8.651
  533    H    GLU  70           HN       GLU  70 -19.678   2.912  -9.158
  534    HA   GLU  70           HA       GLU  70 -20.214   4.950  -7.163
  535   1HB   GLU  70          HB2       GLU  70 -20.299   5.349  -9.685
  536   2HB   GLU  70          HB1       GLU  70 -21.788   4.414  -9.680
  537   1HG   GLU  70          HG2       GLU  70 -22.413   6.683  -9.624
  538   2HG   GLU  70          HG1       GLU  70 -22.689   6.048  -8.003
  539    H    LEU  71           HN       LEU  71 -21.827   5.032  -5.780
  540    HA   LEU  71           HA       LEU  71 -23.504   2.642  -5.497
  541   1HB   LEU  71          HB2       LEU  71 -22.116   3.909  -3.611
  542   2HB   LEU  71          HB1       LEU  71 -23.553   4.905  -3.544
  543    HG   LEU  71           HG       LEU  71 -23.350   1.950  -2.967
  544   1HD1  LEU  71          HD11      LEU  71 -24.196   4.265  -1.235
  545   2HD1  LEU  71          HD12      LEU  71 -22.606   3.500  -1.202
  546   3HD1  LEU  71          HD13      LEU  71 -24.036   2.578  -0.744
  547   1HD2  LEU  71          HD21      LEU  71 -25.429   2.134  -4.056
  548   2HD2  LEU  71          HD22      LEU  71 -25.780   3.687  -3.297
  549   3HD2  LEU  71          HD23      LEU  71 -25.799   2.210  -2.329
  550    H    ARG  72           HN       ARG  72 -25.186   2.897  -6.944
  551    HA   ARG  72           HA       ARG  72 -26.463   5.376  -7.440
  552   1HB   ARG  72          HB2       ARG  72 -26.722   3.553  -9.042
  553   2HB   ARG  72          HB1       ARG  72 -27.435   2.524  -7.807
  554   1HG   ARG  72          HG2       ARG  72 -29.405   3.883  -7.727
  555   2HG   ARG  72          HG1       ARG  72 -28.685   5.066  -8.823
  556   1HD   ARG  72          HD2       ARG  72 -28.568   3.343 -10.573
  557   2HD   ARG  72          HD1       ARG  72 -29.338   2.195  -9.479
  558    HE   ARG  72           HE       ARG  72 -31.091   4.257  -9.556
  559   1HH1  ARG  72          HH11      ARG  72 -29.522   2.344 -12.008
  560   2HH1  ARG  72          HH12      ARG  72 -30.827   2.487 -13.137
  561   1HH2  ARG  72          HH21      ARG  72 -32.817   4.450 -11.035
  562   2HH2  ARG  72          HH22      ARG  72 -32.702   3.682 -12.583
  563    H    ASN  73           HN       ASN  73 -27.677   6.541  -6.326
  564    HA   ASN  73           HA       ASN  73 -28.900   7.342  -4.584
  565   1HB   ASN  73          HB2       ASN  73 -29.970   4.497  -4.516
  566   2HB   ASN  73          HB1       ASN  73 -30.663   5.853  -3.630
  567   1HD2  ASN  73          HD21      ASN  73 -30.400   4.257  -6.648
  568   2HD2  ASN  73          HD22      ASN  73 -31.494   5.262  -7.527
  569    H    GLY  74           HN       GLY  74 -26.370   6.902  -4.028
  570   1HA   GLY  74          HA2       GLY  74 -26.342   6.362  -1.274
  571   2HA   GLY  74          HA1       GLY  74 -25.672   4.990  -2.134
  572    H    GLN  75           HN       GLN  75 -23.977   6.034  -0.472
  573    HA   GLN  75           HA       GLN  75 -22.137   7.562  -2.175
  574   1HB   GLN  75          HB2       GLN  75 -23.210   9.097  -0.539
  575   2HB   GLN  75          HB1       GLN  75 -22.569   8.111   0.767
  576   1HG   GLN  75          HG2       GLN  75 -20.300   8.623   0.064
  577   2HG   GLN  75          HG1       GLN  75 -20.921   9.578  -1.281
  578   1HE2  GLN  75          HE21      GLN  75 -21.896  11.569  -0.870
  579   2HE2  GLN  75          HE22      GLN  75 -21.675  12.401   0.627
  580    H    VAL  76           HN       VAL  76 -20.069   6.905  -2.141
  581    HA   VAL  76           HA       VAL  76 -19.433   4.620  -0.393
  582    HB   VAL  76           HB       VAL  76 -18.183   5.416  -3.025
  583   1HG1  VAL  76          HG11      VAL  76 -16.966   3.220  -2.753
  584   2HG1  VAL  76          HG12      VAL  76 -17.478   3.240  -1.065
  585   3HG1  VAL  76          HG13      VAL  76 -16.439   4.522  -1.687
  586   1HG2  VAL  76          HG21      VAL  76 -19.919   3.084  -2.227
  587   2HG2  VAL  76          HG22      VAL  76 -19.095   3.238  -3.778
  588   3HG2  VAL  76          HG23      VAL  76 -20.345   4.396  -3.325
  589    H    GLU  77           HN       GLU  77 -18.363   5.296   1.379
  590    HA   GLU  77           HA       GLU  77 -16.799   7.678   1.415
  591   1HB   GLU  77          HB2       GLU  77 -17.956   6.913   3.416
  592   2HB   GLU  77          HB1       GLU  77 -17.019   5.425   3.419
  593   1HG   GLU  77          HG2       GLU  77 -16.183   6.983   5.074
  594   2HG   GLU  77          HG1       GLU  77 -14.981   6.701   3.816
  595    H    ILE  78           HN       ILE  78 -15.008   7.723   0.207
  596    HA   ILE  78           HA       ILE  78 -13.035   5.565   0.584
  597    HB   ILE  78           HB       ILE  78 -13.629   7.194  -1.884
  598   1HG1  ILE  78          HG12      ILE  78 -14.933   5.113  -1.485
  599   2HG1  ILE  78          HG11      ILE  78 -13.943   5.035  -2.937
  600   1HG2  ILE  78          HG21      ILE  78 -11.243   7.225  -1.658
  601   2HG2  ILE  78          HG22      ILE  78 -11.668   6.059  -2.912
  602   3HG2  ILE  78          HG23      ILE  78 -11.206   5.498  -1.304
  603   1HD1  ILE  78          HD11      ILE  78 -13.315   3.766  -0.283
  604   2HD1  ILE  78          HD12      ILE  78 -12.275   3.722  -1.707
  605   3HD1  ILE  78          HD13      ILE  78 -13.857   2.941  -1.745
  606    H    LYS  79           HN       LYS  79 -10.938   6.157   1.058
  607    HA   LYS  79           HA       LYS  79  -9.957   8.814   0.813
  608   1HB   LYS  79          HB2       LYS  79  -9.866   9.402   3.168
  609   2HB   LYS  79          HB1       LYS  79 -11.535   9.162   2.672
  610   1HG   LYS  79          HG2       LYS  79  -9.816   7.239   4.229
  611   2HG   LYS  79          HG1       LYS  79 -11.169   8.185   4.851
  612   1HD   LYS  79          HD2       LYS  79 -12.556   6.948   3.052
  613   2HD   LYS  79          HD1       LYS  79 -11.196   5.813   3.002
  614   1HE   LYS  79          HE2       LYS  79 -11.471   5.290   5.319
  615   2HE   LYS  79          HE1       LYS  79 -12.660   6.573   5.529
  616   1HZ   LYS  79          HZ1       LYS  79 -13.023   4.180   3.809
  617   2HZ   LYS  79          HZ2       LYS  79 -14.169   5.390   4.084
  618   3HZ   LYS  79          HZ3       LYS  79 -13.687   4.379   5.352
  619    H    THR  80           HN       THR  80  -9.207   5.945   0.462
  620    HA   THR  80           HA       THR  80  -6.574   6.203   1.694
  621    HB   THR  80           HB       THR  80  -6.588   3.837   2.414
  622    HG1  THR  80           HG1      THR  80  -9.347   3.674   2.415
  623   1HG2  THR  80          HG21      THR  80  -8.128   4.166   4.370
  624   2HG2  THR  80          HG22      THR  80  -8.688   5.654   3.600
  625   3HG2  THR  80          HG23      THR  80  -7.002   5.494   4.094
  626    H    ASP  81           HN       ASP  81  -8.149   5.997  -1.048
  627    HA   ASP  81           HA       ASP  81  -7.595   5.264  -3.191
  628   1HB   ASP  81          HB2       ASP  81  -4.939   4.733  -1.870
  629   2HB   ASP  81          HB1       ASP  81  -5.223   4.817  -3.607
  630    H    LEU  82           HN       LEU  82  -8.084   3.371  -0.716
  631    HA   LEU  82           HA       LEU  82  -8.489   1.184  -0.340
  632   1HB   LEU  82          HB2       LEU  82  -8.270   1.121  -3.343
  633   2HB   LEU  82          HB1       LEU  82  -8.652  -0.306  -2.402
  634    HG   LEU  82           HG       LEU  82 -10.747   0.420  -3.063
  635   1HD1  LEU  82          HD11      LEU  82 -11.882   1.255  -1.133
  636   2HD1  LEU  82          HD12      LEU  82 -10.397   1.964  -0.503
  637   3HD1  LEU  82          HD13      LEU  82 -10.572   0.212  -0.580
  638   1HD2  LEU  82          HD21      LEU  82 -10.270   2.416  -4.194
  639   2HD2  LEU  82          HD22      LEU  82  -9.667   3.199  -2.734
  640   3HD2  LEU  82          HD23      LEU  82 -11.391   2.879  -2.914
  641    H    SER  83           HN       SER  83  -6.073   1.846   0.373
  642    HA   SER  83           HA       SER  83  -4.052   0.281  -0.965
  643   1HB   SER  83          HB2       SER  83  -2.545   1.139   0.799
  644   2HB   SER  83          HB1       SER  83  -3.429   2.431  -0.013
  645    HG   SER  83           HG       SER  83  -4.941   1.741   1.982
  646    H    PHE  84           HN       PHE  84  -6.345  -1.130   0.246
  647    HA   PHE  84           HA       PHE  84  -6.781  -3.042   1.370
  648   1HB   PHE  84          HB2       PHE  84  -5.052  -4.124   0.199
  649   2HB   PHE  84          HB1       PHE  84  -3.795  -3.262   1.082
  650    HD1  PHE  84           HD1      PHE  84  -2.614  -4.493   2.600
  651    HD2  PHE  84           HD2      PHE  84  -6.679  -5.510   1.868
  652    HE1  PHE  84           HE1      PHE  84  -2.430  -6.359   4.192
  653    HE2  PHE  84           HE2      PHE  84  -6.501  -7.379   3.456
  654    HZ   PHE  84           HZ       PHE  84  -4.375  -7.806   4.622
  655    H    GLY  85           HN       GLY  85  -7.232  -3.657   3.416
  656   1HA   GLY  85          HA2       GLY  85  -6.975  -3.830   5.725
  657   2HA   GLY  85          HA1       GLY  85  -5.538  -2.824   5.618
  658    H    SER  86           HN       SER  86  -8.739  -2.045   4.328
  659    HA   SER  86           HA       SER  86  -9.097  -0.098   6.475
  660   1HB   SER  86          HB2       SER  86  -9.740   1.652   4.804
  661   2HB   SER  86          HB1       SER  86  -8.025   1.227   4.785
  662    HG   SER  86           HG       SER  86  -9.836   1.051   2.804
  663    H    GLN  87           HN       GLN  87 -11.184   0.918   6.466
  664    HA   GLN  87           HA       GLN  87 -13.275  -0.917   5.500
  665   1HB   GLN  87          HB2       GLN  87 -13.065  -1.044   7.926
  666   2HB   GLN  87          HB1       GLN  87 -13.206   0.702   8.055
  667   1HG   GLN  87          HG2       GLN  87 -15.379  -1.049   6.939
  668   2HG   GLN  87          HG1       GLN  87 -15.260  -0.609   8.642
  669   1HE2  GLN  87          HE21      GLN  87 -14.169   2.032   7.956
  670   2HE2  GLN  87          HE22      GLN  87 -15.511   2.971   7.422
  671    H    ILE  88           HN       ILE  88 -14.896  -0.040   4.313
  672    HA   ILE  88           HA       ILE  88 -15.093   2.894   4.209
  673    HB   ILE  88           HB       ILE  88 -15.551   2.745   1.776
  674   1HG1  ILE  88          HG12      ILE  88 -14.382  -0.033   1.919
  675   2HG1  ILE  88          HG11      ILE  88 -16.119   0.256   1.882
  676   1HG2  ILE  88          HG21      ILE  88 -13.369   3.425   2.553
  677   2HG2  ILE  88          HG22      ILE  88 -13.195   2.426   1.111
  678   3HG2  ILE  88          HG23      ILE  88 -12.863   1.742   2.702
  679   1HD1  ILE  88          HD11      ILE  88 -15.183  -0.287  -0.321
  680   2HD1  ILE  88          HD12      ILE  88 -14.184   1.164  -0.231
  681   3HD1  ILE  88          HD13      ILE  88 -15.942   1.305  -0.274
  682    H    GLU  89           HN       GLU  89 -16.969   3.204   5.262
  683    HA   GLU  89           HA       GLU  89 -19.195   1.451   5.102
  684   1HB   GLU  89          HB2       GLU  89 -19.761   4.256   5.817
  685   2HB   GLU  89          HB1       GLU  89 -20.156   2.774   6.672
  686   1HG   GLU  89          HG2       GLU  89 -17.914   2.640   7.563
  687   2HG   GLU  89          HG1       GLU  89 -17.442   4.067   6.640
  688    H    PHE  90           HN       PHE  90 -21.428   2.676   4.596
  689    HA   PHE  90           HA       PHE  90 -21.188   4.012   1.996
  690   1HB   PHE  90          HB2       PHE  90 -23.118   1.751   2.558
  691   2HB   PHE  90          HB1       PHE  90 -22.908   2.602   1.030
  692    HD1  PHE  90           HD1      PHE  90 -20.952   2.190  -0.369
  693    HD2  PHE  90           HD2      PHE  90 -21.538   0.085   3.290
  694    HE1  PHE  90           HE1      PHE  90 -19.243   0.554  -1.038
  695    HE2  PHE  90           HE2      PHE  90 -19.831  -1.554   2.621
  696    HZ   PHE  90           HZ       PHE  90 -18.679  -1.319   0.455
  697    H    SER  91           HN       SER  91 -23.711   4.540   1.348
  698    HA   SER  91           HA       SER  91 -25.279   5.349   3.604
  699   1HB   SER  91          HB2       SER  91 -23.823   7.491   2.048
  700   2HB   SER  91          HB1       SER  91 -25.152   7.794   3.166
  701    HG   SER  91           HG       SER  91 -22.515   7.191   3.678
  702    H    CYS  92           HN       CYS  92 -27.240   4.887   2.904
  703    HA   CYS  92           HA       CYS  92 -27.885   5.245   0.096
  704   1HB   CYS  92          HB2       CYS  92 -29.416   4.009   2.388
  705   2HB   CYS  92          HB1       CYS  92 -30.120   4.247   0.793
  706    H    SER  93           HN       SER  93 -28.900   6.913  -0.705
  707    HA   SER  93           HA       SER  93 -29.173   9.341   0.427
  708   1HB   SER  93          HB2       SER  93 -30.788   8.088  -1.773
  709   2HB   SER  93          HB1       SER  93 -30.989   9.780  -1.313
  710    HG   SER  93           HG       SER  93 -28.935  10.200  -1.950
  711    H    GLU  94           HN       GLU  94 -31.100  10.675   0.709
  712    HA   GLU  94           HA       GLU  94 -32.486  10.440   2.986
  713   1HB   GLU  94          HB2       GLU  94 -32.645  12.420   1.673
  714   2HB   GLU  94          HB1       GLU  94 -33.440  11.556   0.365
  715   1HG   GLU  94          HG2       GLU  94 -35.374  11.171   1.812
  716   2HG   GLU  94          HG1       GLU  94 -34.580  12.078   3.098
  717    H    GLY  95           HN       GLY  95 -34.346   9.677   0.074
  718   1HA   GLY  95          HA2       GLY  95 -36.348   8.399   1.634
  719   2HA   GLY  95          HA1       GLY  95 -36.257   8.421  -0.115
  720    H    PHE  96           HN       PHE  96 -33.391   7.143   0.362
  721    HA   PHE  96           HA       PHE  96 -34.528   4.426   0.530
  722   1HB   PHE  96          HB2       PHE  96 -31.978   5.042  -0.938
  723   2HB   PHE  96          HB1       PHE  96 -33.074   3.677  -1.145
  724    HD1  PHE  96           HD1      PHE  96 -35.121   3.905  -2.438
  725    HD2  PHE  96           HD2      PHE  96 -32.397   7.147  -2.022
  726    HE1  PHE  96           HE1      PHE  96 -36.223   5.064  -4.308
  727    HE2  PHE  96           HE2      PHE  96 -33.492   8.312  -3.892
  728    HZ   PHE  96           HZ       PHE  96 -35.409   7.270  -5.037
  729    H    PHE  97           HN       PHE  97 -33.830   3.234   2.179
  730    HA   PHE  97           HA       PHE  97 -31.540   4.172   3.712
  731   1HB   PHE  97          HB2       PHE  97 -32.253   2.648   5.452
  732   2HB   PHE  97          HB1       PHE  97 -33.629   3.591   4.904
  733    HD1  PHE  97           HD1      PHE  97 -32.509   0.389   5.729
  734    HD2  PHE  97           HD2      PHE  97 -35.065   2.443   3.018
  735    HE1  PHE  97           HE1      PHE  97 -33.799  -1.678   5.384
  736    HE2  PHE  97           HE2      PHE  97 -36.356   0.379   2.663
  737    HZ   PHE  97           HZ       PHE  97 -35.725  -1.684   3.848
  738    H    LEU  98           HN       LEU  98 -30.122   2.453   4.664
  739    HA   LEU  98           HA       LEU  98 -28.976   0.986   2.431
  740   1HB   LEU  98          HB2       LEU  98 -27.644   2.457   3.972
  741   2HB   LEU  98          HB1       LEU  98 -27.885   1.249   5.221
  742    HG   LEU  98           HG       LEU  98 -26.703   0.434   2.596
  743   1HD1  LEU  98          HD11      LEU  98 -25.168   1.676   4.869
  744   2HD1  LEU  98          HD12      LEU  98 -25.450   2.411   3.292
  745   3HD1  LEU  98          HD13      LEU  98 -24.479   0.945   3.420
  746   1HD2  LEU  98          HD21      LEU  98 -27.389  -1.211   4.352
  747   2HD2  LEU  98          HD22      LEU  98 -26.152  -0.513   5.399
  748   3HD2  LEU  98          HD23      LEU  98 -25.689  -1.290   3.884
  749    H    ILE  99           HN       ILE  99 -28.693  -1.143   2.308
  750    HA   ILE  99           HA       ILE  99 -29.262  -2.971   4.475
  751    HB   ILE  99           HB       ILE  99 -30.758  -3.792   2.113
  752   1HG1  ILE  99          HG12      ILE  99 -31.984  -1.554   3.698
  753   2HG1  ILE  99          HG11      ILE  99 -31.097  -1.252   2.210
  754   1HG2  ILE  99          HG21      ILE  99 -30.984  -5.054   4.082
  755   2HG2  ILE  99          HG22      ILE  99 -32.506  -4.177   3.914
  756   3HG2  ILE  99          HG23      ILE  99 -31.287  -3.621   5.062
  757   1HD1  ILE  99          HD11      ILE  99 -33.563  -2.949   2.493
  758   2HD1  ILE  99          HD12      ILE  99 -32.656  -2.701   1.000
  759   3HD1  ILE  99          HD13      ILE  99 -33.467  -1.340   1.777
  760    H    GLY 100           HN       GLY 100 -27.371  -3.881   4.295
  761   1HA   GLY 100          HA2       GLY 100 -26.779  -5.867   2.447
  762   2HA   GLY 100          HA1       GLY 100 -25.961  -4.403   1.900
  763    H    SER 101           HN       SER 101 -24.863  -3.212   3.746
  764    HA   SER 101           HA       SER 101 -23.843  -4.316   6.036
  765   1HB   SER 101          HB2       SER 101 -22.880  -6.111   4.625
  766   2HB   SER 101          HB1       SER 101 -22.034  -4.897   3.664
  767    HG   SER 101           HG       SER 101 -21.398  -4.406   6.151
  768    H    THR 102           HN       THR 102 -23.577  -2.301   6.880
  769    HA   THR 102           HA       THR 102 -22.823  -0.079   5.266
  770    HB   THR 102           HB       THR 102 -22.846   1.202   7.387
  771    HG1  THR 102           HG1      THR 102 -22.466   0.076   9.133
  772   1HG2  THR 102          HG21      THR 102 -25.183   1.071   7.774
  773   2HG2  THR 102          HG22      THR 102 -25.245  -0.616   7.261
  774   3HG2  THR 102          HG23      THR 102 -24.943   0.656   6.076
  775    H    THR 103           HN       THR 103 -20.851  -2.351   5.661
  776    HA   THR 103           HA       THR 103 -18.561  -0.645   6.162
  777    HB   THR 103           HB       THR 103 -17.493  -2.431   7.563
  778    HG1  THR 103           HG1      THR 103 -20.134  -3.328   8.061
  779   1HG2  THR 103          HG21      THR 103 -19.844  -0.847   8.528
  780   2HG2  THR 103          HG22      THR 103 -18.123  -0.515   8.736
  781   3HG2  THR 103          HG23      THR 103 -18.885  -1.826   9.640
  782    H    SER 104           HN       SER 104 -16.671  -1.389   5.098
  783    HA   SER 104           HA       SER 104 -16.848  -3.915   3.664
  784   1HB   SER 104          HB2       SER 104 -17.651  -1.934   2.203
  785   2HB   SER 104          HB1       SER 104 -15.967  -1.406   2.236
  786    HG   SER 104           HG       SER 104 -16.062  -4.010   1.644
  787    H    ARG 105           HN       ARG 105 -15.097  -4.955   4.331
  788    HA   ARG 105           HA       ARG 105 -12.695  -3.440   5.085
  789   1HB   ARG 105          HB2       ARG 105 -13.357  -6.340   5.623
  790   2HB   ARG 105          HB1       ARG 105 -12.003  -5.438   6.287
  791   1HG   ARG 105          HG2       ARG 105 -13.584  -3.965   7.461
  792   2HG   ARG 105          HG1       ARG 105 -14.919  -4.930   6.830
  793   1HD   ARG 105          HD2       ARG 105 -13.975  -6.914   7.957
  794   2HD   ARG 105          HD1       ARG 105 -12.713  -5.892   8.647
  795    HE   ARG 105           HE       ARG 105 -15.270  -4.857   9.270
  796   1HH1  ARG 105          HH11      ARG 105 -13.088  -7.444  10.103
  797   2HH1  ARG 105          HH12      ARG 105 -13.710  -7.624  11.709
  798   1HH2  ARG 105          HH21      ARG 105 -16.096  -5.088  11.381
  799   2HH2  ARG 105          HH22      ARG 105 -15.422  -6.286  12.435
  800    H    CYS 106           HN       CYS 106 -10.660  -3.924   4.299
  801    HA   CYS 106           HA       CYS 106 -10.675  -5.293   1.720
  802   1HB   CYS 106          HB2       CYS 106  -9.147  -3.043   2.862
  803   2HB   CYS 106          HB1       CYS 106  -8.203  -4.153   1.875
  804    H    GLU 107           HN       GLU 107  -9.976  -7.278   1.633
  805    HA   GLU 107           HA       GLU 107  -7.906  -8.170   3.532
  806   1HB   GLU 107          HB2       GLU 107 -10.271  -9.046   3.881
  807   2HB   GLU 107          HB1       GLU 107 -10.088  -9.897   2.354
  808   1HG   GLU 107          HG2       GLU 107  -9.665 -11.389   4.186
  809   2HG   GLU 107          HG1       GLU 107  -8.182 -11.129   3.273
  810    H    VAL 108           HN       VAL 108  -7.159 -10.505   2.517
  811    HA   VAL 108           HA       VAL 108  -6.733 -10.150  -0.365
  812    HB   VAL 108           HB       VAL 108  -4.459 -10.721   1.532
  813   1HG1  VAL 108          HG11      VAL 108  -4.161 -11.886  -0.580
  814   2HG1  VAL 108          HG12      VAL 108  -3.081 -10.491  -0.536
  815   3HG1  VAL 108          HG13      VAL 108  -4.570 -10.422  -1.482
  816   1HG2  VAL 108          HG21      VAL 108  -5.160  -8.275  -0.068
  817   2HG2  VAL 108          HG22      VAL 108  -3.618  -8.530   0.750
  818   3HG2  VAL 108          HG23      VAL 108  -5.109  -8.421   1.689
  819    H    GLN 109           HN       GLN 109  -6.915 -11.877  -1.528
  820    HA   GLN 109           HA       GLN 109  -6.046 -14.476  -0.831
  821   1HB   GLN 109          HB2       GLN 109  -8.354 -15.505  -0.673
  822   2HB   GLN 109          HB1       GLN 109  -7.862 -14.546   0.717
  823   1HG   GLN 109          HG2       GLN 109  -9.129 -12.637  -0.196
  824   2HG   GLN 109          HG1       GLN 109  -9.685 -13.671  -1.509
  825   1HE2  GLN 109          HE21      GLN 109 -11.193 -12.262   0.566
  826   2HE2  GLN 109          HE22      GLN 109 -12.119 -13.470   1.384
  827    H    ASP 110           HN       ASP 110  -6.174 -12.532  -3.044
  828    HA   ASP 110           HA       ASP 110  -6.801 -14.407  -5.125
  829   1HB   ASP 110          HB2       ASP 110  -8.322 -11.813  -4.878
  830   2HB   ASP 110          HB1       ASP 110  -8.251 -12.760  -6.362
  831    H    ARG 111           HN       ARG 111  -6.981 -11.193  -6.172
  832    HA   ARG 111           HA       ARG 111  -4.377 -11.399  -7.352
  833   1HB   ARG 111          HB2       ARG 111  -6.686  -9.512  -7.669
  834   2HB   ARG 111          HB1       ARG 111  -5.123  -9.154  -8.377
  835   1HG   ARG 111          HG2       ARG 111  -6.686 -11.662  -8.927
  836   2HG   ARG 111          HG1       ARG 111  -6.736 -10.218  -9.937
  837   1HD   ARG 111          HD2       ARG 111  -4.340 -10.408 -10.345
  838   2HD   ARG 111          HD1       ARG 111  -4.267 -11.833  -9.310
  839    HE   ARG 111           HE       ARG 111  -6.161 -12.275 -11.333
  840   1HH1  ARG 111          HH11      ARG 111  -2.718 -11.921 -10.924
  841   2HH1  ARG 111          HH12      ARG 111  -2.324 -12.917 -12.285
  842   1HH2  ARG 111          HH21      ARG 111  -5.651 -13.589 -13.126
  843   2HH2  ARG 111          HH22      ARG 111  -3.991 -13.868 -13.536
  844    H    GLY 112           HN       GLY 112  -4.048 -11.268  -4.710
  845   1HA   GLY 112          HA2       GLY 112  -2.474 -10.148  -3.397
  846   2HA   GLY 112          HA1       GLY 112  -2.616  -8.749  -4.453
  847    H    VAL 113           HN       VAL 113  -5.683  -9.323  -4.081
  848    HA   VAL 113           HA       VAL 113  -6.157  -8.666  -1.369
  849    HB   VAL 113           HB       VAL 113  -7.299  -6.379  -2.540
  850   1HG1  VAL 113          HG11      VAL 113  -6.541  -6.526  -0.253
  851   2HG1  VAL 113          HG12      VAL 113  -5.735  -5.178  -1.060
  852   3HG1  VAL 113          HG13      VAL 113  -4.869  -6.691  -0.788
  853   1HG2  VAL 113          HG21      VAL 113  -5.737  -6.737  -4.413
  854   2HG2  VAL 113          HG22      VAL 113  -4.391  -6.630  -3.273
  855   3HG2  VAL 113          HG23      VAL 113  -5.434  -5.230  -3.545
  856    H    GLY 114           HN       GLY 114  -8.300  -8.991  -0.812
  857   1HA   GLY 114          HA2       GLY 114 -10.131  -9.454  -3.063
  858   2HA   GLY 114          HA1       GLY 114 -10.107 -10.446  -1.612
  859    H    TRP 115           HN       TRP 115 -12.241  -8.689  -2.848
  860    HA   TRP 115           HA       TRP 115 -12.610  -6.722  -0.738
  861   1HB   TRP 115          HB2       TRP 115 -13.428  -6.887  -3.490
  862   2HB   TRP 115          HB1       TRP 115 -14.841  -6.682  -2.463
  863    HD1  TRP 115           HD1      TRP 115 -13.182  -4.527  -4.495
  864    HE1  TRP 115           HE1      TRP 115 -12.802  -2.171  -3.531
  865    HE3  TRP 115           HE3      TRP 115 -13.848  -5.549   0.471
  866    HZ2  TRP 115           HZ2      TRP 115 -12.786  -0.912  -1.018
  867    HZ3  TRP 115           HZ3      TRP 115 -13.633  -3.707   2.088
  868    HH2  TRP 115           HH2      TRP 115 -13.112  -1.439   1.358
  869    H    SER 116           HN       SER 116 -13.965  -6.995   0.917
  870    HA   SER 116           HA       SER 116 -15.173  -9.499   1.405
  871   1HB   SER 116          HB2       SER 116 -16.086  -8.468   3.416
  872   2HB   SER 116          HB1       SER 116 -14.413  -7.954   3.194
  873    HG   SER 116           HG       SER 116 -16.771  -6.491   2.991
  874    H    HIS 117           HN       HIS 117 -16.503  -6.354   0.437
  875    HA   HIS 117           HA       HIS 117 -18.609  -7.485  -1.065
  876   1HB   HIS 117          HB2       HIS 117 -19.452  -7.948   1.254
  877   2HB   HIS 117          HB1       HIS 117 -19.488  -6.210   1.528
  878    HD1  HIS 117           HD1      HIS 117 -21.213  -8.912  -0.428
  879    HD2  HIS 117           HD2      HIS 117 -21.646  -4.870   0.427
  880    HE1  HIS 117           HE1      HIS 117 -23.503  -8.292  -1.259
  881    HE2  HIS 117           HE2      HIS 117 -23.702  -5.818  -0.823
  882    HA   PRO 118           HA       PRO 118 -18.266  -3.272  -2.436
  883   1HB   PRO 118          HB2       PRO 118 -19.848  -3.413  -4.593
  884   2HB   PRO 118          HB1       PRO 118 -18.288  -4.242  -4.540
  885   1HG   PRO 118          HG2       PRO 118 -21.039  -5.343  -4.171
  886   2HG   PRO 118          HG1       PRO 118 -19.651  -6.054  -5.011
  887   1HD   PRO 118          HD2       PRO 118 -20.455  -6.693  -2.437
  888   2HD   PRO 118          HD1       PRO 118 -18.833  -6.979  -3.096
  889    H    LEU 119           HN       LEU 119 -20.519  -2.143  -3.871
  890    HA   LEU 119           HA       LEU 119 -21.796  -0.723  -1.913
  891   1HB   LEU 119          HB2       LEU 119 -23.120  -1.409  -4.519
  892   2HB   LEU 119          HB1       LEU 119 -23.251   0.060  -3.583
  893    HG   LEU 119           HG       LEU 119 -21.948   0.702  -5.377
  894   1HD1  LEU 119          HD11      LEU 119 -20.007  -0.107  -3.228
  895   2HD1  LEU 119          HD12      LEU 119 -20.918   1.404  -3.317
  896   3HD1  LEU 119          HD13      LEU 119 -19.679   1.050  -4.522
  897   1HD2  LEU 119          HD21      LEU 119 -20.098  -0.585  -6.301
  898   2HD2  LEU 119          HD22      LEU 119 -21.611  -1.491  -6.351
  899   3HD2  LEU 119          HD23      LEU 119 -20.400  -1.862  -5.123
  900    HA   PRO 120           HA       PRO 120 -24.961  -3.499  -0.470
  901   1HB   PRO 120          HB2       PRO 120 -26.284  -1.813   1.129
  902   2HB   PRO 120          HB1       PRO 120 -24.630  -2.310   1.506
  903   1HG   PRO 120          HG2       PRO 120 -25.631   0.254   0.364
  904   2HG   PRO 120          HG1       PRO 120 -24.285  -0.029   1.481
  905   1HD   PRO 120          HD2       PRO 120 -24.088   0.361  -1.294
  906   2HD   PRO 120          HD1       PRO 120 -22.812  -0.260  -0.232
  907    H    GLN 121           HN       GLN 121 -27.579  -2.839   0.080
  908    HA   GLN 121           HA       GLN 121 -28.583  -2.094  -2.573
  909   1HB   GLN 121          HB2       GLN 121 -29.459  -4.029  -0.501
  910   2HB   GLN 121          HB1       GLN 121 -30.712  -3.241  -1.443
  911   1HG   GLN 121          HG2       GLN 121 -30.117  -5.350  -2.448
  912   2HG   GLN 121          HG1       GLN 121 -29.643  -4.022  -3.506
  913   1HE2  GLN 121          HE21      GLN 121 -28.546  -6.591  -1.465
  914   2HE2  GLN 121          HE22      GLN 121 -26.884  -6.536  -1.934
  915    H    CYS 122           HN       CYS 122 -29.437  -0.127  -2.757
  916    HA   CYS 122           HA       CYS 122 -30.463   1.179  -0.339
  917   1HB   CYS 122          HB2       CYS 122 -29.627   2.280  -3.025
  918   2HB   CYS 122          HB1       CYS 122 -30.425   3.252  -1.793
  919    H    GLU 123           HN       GLU 123 -32.570   0.859  -0.006
  920    HA   GLU 123           HA       GLU 123 -34.425   1.043  -2.300
  921   1HB   GLU 123          HB2       GLU 123 -34.179  -1.291  -1.407
  922   2HB   GLU 123          HB1       GLU 123 -34.754  -0.701   0.147
  923   1HG   GLU 123          HG2       GLU 123 -36.853   0.019  -0.968
  924   2HG   GLU 123          HG1       GLU 123 -36.270  -0.742  -2.449
  925    H    ILE 124           HN       ILE 124 -36.288   2.124  -1.987
  926    HA   ILE 124           HA       ILE 124 -36.200   4.316  -0.226
  927    HB   ILE 124           HB       ILE 124 -37.424   4.210  -2.430
  928   1HG1  ILE 124          HG12      ILE 124 -39.092   5.153  -0.087
  929   2HG1  ILE 124          HG11      ILE 124 -37.703   6.026  -0.726
  930   1HG2  ILE 124          HG21      ILE 124 -39.673   3.339  -2.481
  931   2HG2  ILE 124          HG22      ILE 124 -39.563   2.864  -0.785
  932   3HG2  ILE 124          HG23      ILE 124 -38.562   2.058  -1.992
  933   1HD1  ILE 124          HD11      ILE 124 -40.244   5.402  -2.207
  934   2HD1  ILE 124          HD12      ILE 124 -38.844   6.238  -2.882
  935   3HD1  ILE 124          HD13      ILE 124 -39.758   6.971  -1.564
  936    H    LEU 125           HN       LEU 125 -37.673   4.878   1.461
  937    HA   LEU 125           HA       LEU 125 -38.066   2.784   3.355
  938   1HB   LEU 125          HB2       LEU 125 -39.072   5.629   3.413
  939   2HB   LEU 125          HB1       LEU 125 -38.983   4.540   4.783
  940    HG   LEU 125           HG       LEU 125 -36.618   5.640   3.258
  941   1HD1  LEU 125          HD11      LEU 125 -37.732   6.310   5.978
  942   2HD1  LEU 125          HD12      LEU 125 -37.705   7.361   4.561
  943   3HD1  LEU 125          HD13      LEU 125 -36.193   6.891   5.341
  944   1HD2  LEU 125          HD21      LEU 125 -35.265   4.636   5.010
  945   2HD2  LEU 125          HD22      LEU 125 -36.206   3.403   4.170
  946   3HD2  LEU 125          HD23      LEU 125 -36.713   3.965   5.763
  947    H    GLU 126           HN       GLU 126 -39.999   1.913   4.121
  948    HA   GLU 126           HA       GLU 126 -42.206   2.041   2.224
  949   1HB   GLU 126          HB2       GLU 126 -41.436  -0.171   2.882
  950   2HB   GLU 126          HB1       GLU 126 -41.714   0.208   4.576
  951   1HG   GLU 126          HG2       GLU 126 -44.115   0.422   4.120
  952   2HG   GLU 126          HG1       GLU 126 -43.820  -0.006   2.433
  953    H    HIS 127           HN       HIS 127 -43.359   3.862   2.608
  954    HA   HIS 127           HA       HIS 127 -44.758   3.993   5.177
  955   1HB   HIS 127          HB2       HIS 127 -43.317   6.301   3.859
  956   2HB   HIS 127          HB1       HIS 127 -44.503   6.498   5.145
  957    HD1  HIS 127           HD1      HIS 127 -40.996   5.416   4.508
  958    HD2  HIS 127           HD2      HIS 127 -43.631   5.718   7.705
  959    HE1  HIS 127           HE1      HIS 127 -39.585   5.133   6.571
  960    HE2  HIS 127           HE2      HIS 127 -41.215   5.231   8.489
  961    H    HIS 128           HN       HIS 128 -44.556   5.809   2.105
  962    HA   HIS 128           HA       HIS 128 -47.344   5.159   1.565
  963   1HB   HIS 128          HB2       HIS 128 -47.887   7.548   1.103
  964   2HB   HIS 128          HB1       HIS 128 -47.563   7.218   2.801
  965    HD1  HIS 128           HD1      HIS 128 -45.510   8.328   3.855
  966    HD2  HIS 128           HD2      HIS 128 -45.964   9.152  -0.192
  967    HE1  HIS 128           HE1      HIS 128 -43.902  10.197   3.364
  968    HE2  HIS 128           HE2      HIS 128 -44.261  10.740   0.931
  969    H    HIS 129           HN       HIS 129 -47.877   6.630  -0.596
  970    HA   HIS 129           HA       HIS 129 -45.772   5.831  -2.493
  971   1HB   HIS 129          HB2       HIS 129 -47.561   5.704  -4.176
  972   2HB   HIS 129          HB1       HIS 129 -47.897   4.658  -2.798
  973    HD1  HIS 129           HD1      HIS 129 -49.338   6.321  -0.856
  974    HD2  HIS 129           HD2      HIS 129 -49.892   6.813  -4.945
  975    HE1  HIS 129           HE1      HIS 129 -51.573   7.450  -1.101
  976    HE2  HIS 129           HE2      HIS 129 -51.889   7.736  -3.583
  977    H    HIS 130           HN       HIS 130 -46.249   7.166  -4.699
  978    HA   HIS 130           HA       HIS 130 -46.360  10.015  -3.969
  979   1HB   HIS 130          HB2       HIS 130 -44.381   8.723  -5.858
  980   2HB   HIS 130          HB1       HIS 130 -44.533  10.454  -5.574
  981    HD1  HIS 130           HD1      HIS 130 -42.986   7.398  -4.232
  982    HD2  HIS 130           HD2      HIS 130 -43.689  11.290  -2.960
  983    HE1  HIS 130           HE1      HIS 130 -41.497   7.732  -2.234
  984    HE2  HIS 130           HE2      HIS 130 -41.987  10.072  -1.441
  985    H    HIS 131           HN       HIS 131 -45.782   8.382  -7.058
  986    HA   HIS 131           HA       HIS 131 -46.868   8.425  -9.048
  987   1HB   HIS 131          HB2       HIS 131 -49.252   8.832  -7.240
  988   2HB   HIS 131          HB1       HIS 131 -49.384   8.605  -8.981
  989    HD1  HIS 131           HD1      HIS 131 -48.488   6.774  -5.832
  990    HD2  HIS 131           HD2      HIS 131 -49.067   5.996  -9.872
  991    HE1  HIS 131           HE1      HIS 131 -48.553   4.268  -6.032
  992    HE2  HIS 131           HE2      HIS 131 -49.001   3.824  -8.471
  993    H    HIS 132           HN       HIS 132 -49.067  10.745  -7.549
  994    HA   HIS 132           HA       HIS 132 -48.366  12.686  -9.601
  995   1HB   HIS 132          HB2       HIS 132 -50.483  12.907  -7.451
  996   2HB   HIS 132          HB1       HIS 132 -50.345  13.885  -8.911
  997    HD1  HIS 132           HD1      HIS 132 -51.725  10.724  -7.629
  998    HD2  HIS 132           HD2      HIS 132 -51.023  12.484 -11.327
  999    HE1  HIS 132           HE1      HIS 132 -53.070   9.384  -9.277
 1000    HE2  HIS 132           HE2      HIS 132 -52.686  10.509 -11.498
  Start of MODEL    5
    1   1H    MET   0           HT1      MET   0  35.765  -3.024   0.972
    2   2H    MET   0           HT2      MET   0  35.846  -2.834  -0.706
    3   3H    MET   0           HT3      MET   0  36.254  -4.317  -0.003
    4    HA   MET   0           HA       MET   0  34.091  -4.452  -1.006
    5   1HB   MET   0          HB2       MET   0  32.804  -5.140   1.031
    6   2HB   MET   0          HB1       MET   0  34.417  -5.831   0.924
    7   1HG   MET   0          HG2       MET   0  35.178  -3.967   2.447
    8   2HG   MET   0          HG1       MET   0  33.471  -3.607   2.703
    9   1HE   MET   0          HE1       MET   0  35.230  -7.061   2.169
   10   2HE   MET   0          HE2       MET   0  35.446  -7.622   3.827
   11   3HE   MET   0          HE3       MET   0  36.361  -6.233   3.241
   12    H    ASN   1           HN       ASN   1  32.658  -3.159  -1.898
   13    HA   ASN   1           HA       ASN   1  31.076  -1.346  -0.317
   14   1HB   ASN   1          HB2       ASN   1  33.132  -0.010  -0.833
   15   2HB   ASN   1          HB1       ASN   1  32.769  -0.205  -2.544
   16   1HD2  ASN   1          HD21      ASN   1  30.337   0.240  -0.085
   17   2HD2  ASN   1          HD22      ASN   1  29.840   1.814  -0.594
   18    H    CYS   2           HN       CYS   2  29.436  -0.211  -1.727
   19    HA   CYS   2           HA       CYS   2  28.732  -1.947  -3.998
   20   1HB   CYS   2          HB2       CYS   2  27.029  -0.637  -1.897
   21   2HB   CYS   2          HB1       CYS   2  26.346  -1.098  -3.453
   22    H    GLY   3           HN       GLY   3  27.251  -0.832  -5.619
   23   1HA   GLY   3          HA2       GLY   3  28.426   1.706  -6.344
   24   2HA   GLY   3          HA1       GLY   3  27.247   0.794  -7.278
   25    HA   PRO   4           HA       PRO   4  25.438   4.714  -5.102
   26   1HB   PRO   4          HB2       PRO   4  24.521   4.964  -7.942
   27   2HB   PRO   4          HB1       PRO   4  24.957   6.231  -6.787
   28   1HG   PRO   4          HG2       PRO   4  26.666   5.549  -8.692
   29   2HG   PRO   4          HG1       PRO   4  27.246   5.853  -7.045
   30   1HD   PRO   4          HD2       PRO   4  26.845   3.252  -8.463
   31   2HD   PRO   4          HD1       PRO   4  28.114   3.728  -7.314
   32    HA   PRO   5           HA       PRO   5  21.871   2.186  -4.322
   33   1HB   PRO   5          HB2       PRO   5  20.667   4.845  -3.703
   34   2HB   PRO   5          HB1       PRO   5  20.660   3.356  -2.752
   35   1HG   PRO   5          HG2       PRO   5  22.278   5.354  -2.093
   36   2HG   PRO   5          HG1       PRO   5  22.840   3.674  -2.002
   37   1HD   PRO   5          HD2       PRO   5  23.440   5.771  -4.043
   38   2HD   PRO   5          HD1       PRO   5  24.496   4.507  -3.379
   39    HA   PRO   6           HA       PRO   6  19.916   2.674  -8.372
   40   1HB   PRO   6          HB2       PRO   6  18.111   0.616  -7.834
   41   2HB   PRO   6          HB1       PRO   6  19.684   0.420  -8.609
   42   1HG   PRO   6          HG2       PRO   6  18.885  -0.040  -5.775
   43   2HG   PRO   6          HG1       PRO   6  20.044  -0.932  -6.779
   44   1HD   PRO   6          HD2       PRO   6  20.855   0.792  -4.891
   45   2HD   PRO   6          HD1       PRO   6  21.733   0.608  -6.423
   46    H    THR   7           HN       THR   7  17.430   2.332  -8.879
   47    HA   THR   7           HA       THR   7  16.019   4.306  -7.236
   48    HB   THR   7           HB       THR   7  15.420   3.273 -10.021
   49    HG1  THR   7           HG1      THR   7  15.806   5.894  -9.944
   50   1HG2  THR   7          HG21      THR   7  13.702   5.032 -10.101
   51   2HG2  THR   7          HG22      THR   7  14.012   5.402  -8.405
   52   3HG2  THR   7          HG23      THR   7  13.351   3.831  -8.859
   53    H    LEU   8           HN       LEU   8  14.375   3.706  -5.955
   54    HA   LEU   8           HA       LEU   8  13.343   0.982  -6.248
   55   1HB   LEU   8          HB2       LEU   8  13.398   2.831  -3.868
   56   2HB   LEU   8          HB1       LEU   8  12.622   1.257  -3.880
   57    HG   LEU   8           HG       LEU   8  14.980   0.413  -4.610
   58   1HD1  LEU   8          HD11      LEU   8  15.683   2.989  -3.227
   59   2HD1  LEU   8          HD12      LEU   8  15.971   2.611  -4.925
   60   3HD1  LEU   8          HD13      LEU   8  16.810   1.706  -3.665
   61   1HD2  LEU   8          HD21      LEU   8  13.723  -0.034  -2.475
   62   2HD2  LEU   8          HD22      LEU   8  14.592   1.331  -1.772
   63   3HD2  LEU   8          HD23      LEU   8  15.481  -0.082  -2.340
   64    H    SER   9           HN       SER   9  11.510   0.930  -7.359
   65    HA   SER   9           HA       SER   9   9.695   3.145  -7.455
   66   1HB   SER   9          HB2       SER   9   8.259   1.587  -8.778
   67   2HB   SER   9          HB1       SER   9   9.904   1.702  -9.404
   68    HG   SER   9           HG       SER   9  10.328  -0.297  -8.719
   69    H    PHE  10           HN       PHE  10  10.088   0.312  -5.540
   70    HA   PHE  10           HA       PHE  10   7.421   0.558  -4.380
   71   1HB   PHE  10          HB2       PHE  10   8.261  -1.484  -3.028
   72   2HB   PHE  10          HB1       PHE  10   7.901  -1.702  -4.737
   73    HD1  PHE  10           HD1      PHE  10   9.676  -2.030  -6.353
   74    HD2  PHE  10           HD2      PHE  10  10.514  -1.603  -2.203
   75    HE1  PHE  10           HE1      PHE  10  11.942  -2.910  -6.726
   76    HE2  PHE  10           HE2      PHE  10  12.784  -2.480  -2.569
   77    HZ   PHE  10           HZ       PHE  10  13.500  -3.134  -4.833
   78    H    ALA  11           HN       ALA  11   9.001   2.738  -3.941
   79    HA   ALA  11           HA       ALA  11   8.777   3.361  -1.360
   80   1HB   ALA  11          HB1       ALA  11  10.305   1.589  -0.692
   81   2HB   ALA  11          HB2       ALA  11  11.050   3.155  -0.370
   82   3HB   ALA  11          HB3       ALA  11  11.547   2.213  -1.777
   83    H    ALA  12           HN       ALA  12  10.993   4.859  -0.760
   84    HA   ALA  12           HA       ALA  12  11.919   6.456  -2.862
   85   1HB   ALA  12          HB1       ALA  12   9.590   7.157  -3.091
   86   2HB   ALA  12          HB2       ALA  12  10.599   8.495  -2.541
   87   3HB   ALA  12          HB3       ALA  12   9.560   7.645  -1.397
   88    HA   PRO  13           HA       PRO  13  14.812   7.477   0.327
   89   1HB   PRO  13          HB2       PRO  13  14.778  10.175  -0.960
   90   2HB   PRO  13          HB1       PRO  13  16.154   9.160  -0.514
   91   1HG   PRO  13          HG2       PRO  13  15.372   9.341  -3.051
   92   2HG   PRO  13          HG1       PRO  13  15.917   7.793  -2.377
   93   1HD   PRO  13          HD2       PRO  13  13.159   8.717  -3.022
   94   2HD   PRO  13          HD1       PRO  13  13.851   7.086  -3.103
   95    H    MET  14           HN       MET  14  14.970   8.706   2.256
   96    HA   MET  14           HA       MET  14  12.741  10.526   2.798
   97   1HB   MET  14          HB2       MET  14  12.167   8.263   3.649
   98   2HB   MET  14          HB1       MET  14  13.606   8.313   4.660
   99   1HG   MET  14          HG2       MET  14  12.513  10.554   5.508
  100   2HG   MET  14          HG1       MET  14  11.040   9.777   4.931
  101   1HE   MET  14          HE1       MET  14  11.012   6.470   7.054
  102   2HE   MET  14          HE2       MET  14  11.680   6.713   5.440
  103   3HE   MET  14          HE3       MET  14  10.131   7.437   5.871
  104    H    ASP  15           HN       ASP  15  15.655   9.128   4.232
  105    HA   ASP  15           HA       ASP  15  17.000  11.588   4.514
  106   1HB   ASP  15          HB2       ASP  15  15.157  11.862   6.187
  107   2HB   ASP  15          HB1       ASP  15  15.834  10.507   7.071
  108    H    ILE  16           HN       ILE  16  18.912  10.611   3.981
  109    HA   ILE  16           HA       ILE  16  19.994   8.755   5.935
  110    HB   ILE  16           HB       ILE  16  20.971   7.495   3.931
  111   1HG1  ILE  16          HG12      ILE  16  18.561   8.753   2.609
  112   2HG1  ILE  16          HG11      ILE  16  20.238   9.122   2.220
  113   1HG2  ILE  16          HG21      ILE  16  18.081   7.335   4.744
  114   2HG2  ILE  16          HG22      ILE  16  19.445   6.438   5.418
  115   3HG2  ILE  16          HG23      ILE  16  18.889   6.096   3.780
  116   1HD1  ILE  16          HD11      ILE  16  19.203   7.596   0.609
  117   2HD1  ILE  16          HD12      ILE  16  18.949   6.424   1.902
  118   3HD1  ILE  16          HD13      ILE  16  20.587   6.871   1.427
  119    H    THR  17           HN       THR  17  21.766   8.833   3.105
  120    HA   THR  17           HA       THR  17  23.216  11.268   3.500
  121    HB   THR  17           HB       THR  17  24.755   8.738   4.017
  122    HG1  THR  17           HG1      THR  17  24.303   8.869   6.108
  123   1HG2  THR  17          HG21      THR  17  26.378  10.355   5.032
  124   2HG2  THR  17          HG22      THR  17  25.347  11.667   4.459
  125   3HG2  THR  17          HG23      THR  17  26.119  10.583   3.302
  126    H    LEU  18           HN       LEU  18  21.876   9.996   1.378
  127    HA   LEU  18           HA       LEU  18  23.773   8.769  -0.341
  128   1HB   LEU  18          HB2       LEU  18  21.832   9.085  -1.988
  129   2HB   LEU  18          HB1       LEU  18  21.643   7.986  -0.638
  130    HG   LEU  18           HG       LEU  18  20.206   9.451   0.511
  131   1HD1  LEU  18          HD11      LEU  18  21.369  11.524   0.294
  132   2HD1  LEU  18          HD12      LEU  18  19.720  11.751  -0.300
  133   3HD1  LEU  18          HD13      LEU  18  21.054  11.576  -1.442
  134   1HD2  LEU  18          HD21      LEU  18  19.545   9.644  -2.418
  135   2HD2  LEU  18          HD22      LEU  18  18.415   9.890  -1.087
  136   3HD2  LEU  18          HD23      LEU  18  19.145   8.305  -1.344
  137    H    THR  19           HN       THR  19  24.152  11.538   0.671
  138    HA   THR  19           HA       THR  19  24.023  13.236  -1.651
  139    HB   THR  19           HB       THR  19  25.094  14.921  -0.270
  140    HG1  THR  19           HG1      THR  19  25.310  13.784   2.088
  141   1HG2  THR  19          HG21      THR  19  22.721  14.639   0.087
  142   2HG2  THR  19          HG22      THR  19  23.497  14.981   1.634
  143   3HG2  THR  19          HG23      THR  19  23.012  13.330   1.235
  144    H    GLU  20           HN       GLU  20  26.011  10.789  -0.638
  145    HA   GLU  20           HA       GLU  20  28.405  11.876  -1.941
  146   1HB   GLU  20          HB2       GLU  20  28.125   9.336  -0.323
  147   2HB   GLU  20          HB1       GLU  20  29.624  10.069  -0.877
  148   1HG   GLU  20          HG2       GLU  20  27.710  11.278   1.106
  149   2HG   GLU  20          HG1       GLU  20  29.226  10.465   1.497
  150    H    THR  21           HN       THR  21  29.623   9.542  -2.731
  151    HA   THR  21           HA       THR  21  27.841   8.654  -4.898
  152    HB   THR  21           HB       THR  21  30.170   7.889  -5.862
  153    HG1  THR  21           HG1      THR  21  31.063   8.871  -3.730
  154   1HG2  THR  21          HG21      THR  21  29.263  10.771  -5.853
  155   2HG2  THR  21          HG22      THR  21  28.678   9.503  -6.932
  156   3HG2  THR  21          HG23      THR  21  30.355  10.041  -7.032
  157    H    ARG  22           HN       ARG  22  30.045   7.554  -2.400
  158    HA   ARG  22           HA       ARG  22  29.215   4.787  -2.970
  159   1HB   ARG  22          HB2       ARG  22  31.871   5.636  -1.835
  160   2HB   ARG  22          HB1       ARG  22  31.370   4.001  -2.236
  161   1HG   ARG  22          HG2       ARG  22  31.192   4.684  -4.609
  162   2HG   ARG  22          HG1       ARG  22  31.834   6.266  -4.161
  163   1HD   ARG  22          HD2       ARG  22  33.886   5.236  -3.372
  164   2HD   ARG  22          HD1       ARG  22  33.244   3.634  -3.741
  165    HE   ARG  22           HE       ARG  22  33.194   5.240  -6.057
  166   1HH1  ARG  22          HH11      ARG  22  35.425   3.575  -3.962
  167   2HH1  ARG  22          HH12      ARG  22  36.601   3.318  -5.206
  168   1HH2  ARG  22          HH21      ARG  22  34.735   4.905  -7.702
  169   2HH2  ARG  22          HH22      ARG  22  36.209   4.073  -7.333
  170    H    PHE  23           HN       PHE  23  29.552   3.343  -0.991
  171    HA   PHE  23           HA       PHE  23  29.075   4.712   1.557
  172   1HB   PHE  23          HB2       PHE  23  27.292   2.525   0.442
  173   2HB   PHE  23          HB1       PHE  23  27.163   3.229   2.049
  174    HD1  PHE  23           HD1      PHE  23  25.651   4.946   2.382
  175    HD2  PHE  23           HD2      PHE  23  27.171   4.246  -1.529
  176    HE1  PHE  23           HE1      PHE  23  24.149   6.683   1.490
  177    HE2  PHE  23           HE2      PHE  23  25.693   5.980  -2.426
  178    HZ   PHE  23           HZ       PHE  23  24.168   7.203  -0.919
  179    H    LYS  24           HN       LYS  24  28.206   1.550   1.920
  180    HA   LYS  24           HA       LYS  24  30.589   0.117   1.697
  181   1HB   LYS  24          HB2       LYS  24  30.971  -0.043   4.269
  182   2HB   LYS  24          HB1       LYS  24  31.671   1.291   3.367
  183   1HG   LYS  24          HG2       LYS  24  29.964   2.785   4.119
  184   2HG   LYS  24          HG1       LYS  24  29.054   1.458   4.843
  185   1HD   LYS  24          HD2       LYS  24  30.957   1.059   6.385
  186   2HD   LYS  24          HD1       LYS  24  31.757   2.480   5.710
  187   1HE   LYS  24          HE2       LYS  24  29.031   2.529   6.989
  188   2HE   LYS  24          HE1       LYS  24  30.527   2.890   7.850
  189   1HZ   LYS  24          HZ1       LYS  24  29.533   4.362   5.470
  190   2HZ   LYS  24          HZ2       LYS  24  30.924   4.729   6.361
  191   3HZ   LYS  24          HZ3       LYS  24  29.397   4.894   7.071
  192    H    THR  25           HN       THR  25  30.541  -1.956   2.975
  193    HA   THR  25           HA       THR  25  27.989  -3.148   2.681
  194    HB   THR  25           HB       THR  25  29.249  -4.966   4.150
  195    HG1  THR  25           HG1      THR  25  31.398  -3.655   2.844
  196   1HG2  THR  25          HG21      THR  25  28.450  -5.090   1.735
  197   2HG2  THR  25          HG22      THR  25  29.857  -6.078   2.126
  198   3HG2  THR  25          HG23      THR  25  30.062  -4.543   1.279
  199    H    GLY  26           HN       GLY  26  29.083  -1.150   5.033
  200   1HA   GLY  26          HA2       GLY  26  27.486  -2.461   7.142
  201   2HA   GLY  26          HA1       GLY  26  28.773  -1.300   7.439
  202    H    THR  27           HN       THR  27  27.515   0.071   4.933
  203    HA   THR  27           HA       THR  27  26.169   2.119   6.324
  204    HB   THR  27           HB       THR  27  27.229   2.193   3.964
  205    HG1  THR  27           HG1      THR  27  25.022   3.630   3.568
  206   1HG2  THR  27          HG21      THR  27  25.773   1.838   2.104
  207   2HG2  THR  27          HG22      THR  27  24.400   1.520   3.167
  208   3HG2  THR  27          HG23      THR  27  25.736   0.369   3.081
  209    H    THR  28           HN       THR  28  23.864   2.799   5.949
  210    HA   THR  28           HA       THR  28  21.998   0.724   5.228
  211    HB   THR  28           HB       THR  28  22.045   1.725   8.082
  212    HG1  THR  28           HG1      THR  28  22.276  -0.969   7.246
  213   1HG2  THR  28          HG21      THR  28  19.764   1.416   7.192
  214   2HG2  THR  28          HG22      THR  28  20.153   0.245   8.453
  215   3HG2  THR  28          HG23      THR  28  20.175  -0.243   6.758
  216    H    LEU  29           HN       LEU  29  20.356   1.622   4.221
  217    HA   LEU  29           HA       LEU  29  19.978   4.499   4.398
  218   1HB   LEU  29          HB2       LEU  29  18.946   2.387   2.530
  219   2HB   LEU  29          HB1       LEU  29  18.282   4.010   2.529
  220    HG   LEU  29           HG       LEU  29  20.587   4.877   2.060
  221   1HD1  LEU  29          HD11      LEU  29  21.882   3.024   2.913
  222   2HD1  LEU  29          HD12      LEU  29  22.239   3.269   1.202
  223   3HD1  LEU  29          HD13      LEU  29  21.183   1.948   1.703
  224   1HD2  LEU  29          HD21      LEU  29  20.512   4.385  -0.273
  225   2HD2  LEU  29          HD22      LEU  29  18.850   4.460   0.310
  226   3HD2  LEU  29          HD23      LEU  29  19.610   2.897   0.013
  227    H    LYS  30           HN       LYS  30  17.396   4.903   3.807
  228    HA   LYS  30           HA       LYS  30  15.883   3.685   6.016
  229   1HB   LYS  30          HB2       LYS  30  16.653   6.370   5.790
  230   2HB   LYS  30          HB1       LYS  30  14.949   6.340   5.353
  231   1HG   LYS  30          HG2       LYS  30  16.090   5.169   7.883
  232   2HG   LYS  30          HG1       LYS  30  15.344   6.764   7.753
  233   1HD   LYS  30          HD2       LYS  30  13.237   5.771   7.110
  234   2HD   LYS  30          HD1       LYS  30  13.967   4.164   7.089
  235   1HE   LYS  30          HE2       LYS  30  13.772   5.926   9.527
  236   2HE   LYS  30          HE1       LYS  30  12.641   4.631   9.136
  237   1HZ   LYS  30          HZ1       LYS  30  14.463   3.051   9.248
  238   2HZ   LYS  30          HZ2       LYS  30  14.324   3.897  10.706
  239   3HZ   LYS  30          HZ3       LYS  30  15.554   4.292   9.614
  240    H    TYR  31           HN       TYR  31  14.948   6.030   3.535
  241    HA   TYR  31           HA       TYR  31  13.407   5.983   1.875
  242   1HB   TYR  31          HB2       TYR  31  14.351   3.167   1.975
  243   2HB   TYR  31          HB1       TYR  31  12.874   3.490   1.064
  244    HD1  TYR  31           HD1      TYR  31  13.081   4.057  -1.168
  245    HD2  TYR  31           HD2      TYR  31  16.346   4.821   1.450
  246    HE1  TYR  31           HE1      TYR  31  14.429   4.814  -3.079
  247    HE2  TYR  31           HE2      TYR  31  17.703   5.580  -0.454
  248    HH   TYR  31           HH       TYR  31  17.784   5.288  -2.891
  249    H    THR  32           HN       THR  32  11.204   5.787   1.519
  250    HA   THR  32           HA       THR  32   9.629   4.517   3.656
  251    HB   THR  32           HB       THR  32   9.463   6.761   4.256
  252    HG1  THR  32           HG1      THR  32   7.323   7.282   2.795
  253   1HG2  THR  32          HG21      THR  32  10.645   7.789   2.455
  254   2HG2  THR  32          HG22      THR  32   9.070   8.578   2.562
  255   3HG2  THR  32          HG23      THR  32   9.374   7.376   1.304
  256    H    CYS  33           HN       CYS  33   7.267   4.308   3.011
  257    HA   CYS  33           HA       CYS  33   7.129   3.438   0.203
  258   1HB   CYS  33          HB2       CYS  33   5.769   2.479   2.706
  259   2HB   CYS  33          HB1       CYS  33   5.089   2.122   1.125
  260    H    LEU  34           HN       LEU  34   6.164   4.716  -1.062
  261    HA   LEU  34           HA       LEU  34   4.741   6.981  -0.659
  262   1HB   LEU  34          HB2       LEU  34   4.231   5.057  -2.924
  263   2HB   LEU  34          HB1       LEU  34   3.920   6.782  -2.932
  264    HG   LEU  34           HG       LEU  34   6.662   5.540  -2.689
  265   1HD1  LEU  34          HD11      LEU  34   5.348   6.832  -5.075
  266   2HD1  LEU  34          HD12      LEU  34   5.636   5.103  -4.876
  267   3HD1  LEU  34          HD13      LEU  34   6.999   6.218  -4.991
  268   1HD2  LEU  34          HD21      LEU  34   5.834   8.395  -3.188
  269   2HD2  LEU  34          HD22      LEU  34   7.484   7.783  -3.067
  270   3HD2  LEU  34          HD23      LEU  34   6.428   7.762  -1.653
  271    HA   PRO  35           HA       PRO  35   0.586   6.272   0.578
  272   1HB   PRO  35          HB2       PRO  35  -0.924   7.612  -1.279
  273   2HB   PRO  35          HB1       PRO  35  -0.054   8.394   0.044
  274   1HG   PRO  35          HG2       PRO  35   0.733   8.087  -2.825
  275   2HG   PRO  35          HG1       PRO  35   0.910   9.493  -1.758
  276   1HD   PRO  35          HD2       PRO  35   2.979   7.870  -2.319
  277   2HD   PRO  35          HD1       PRO  35   2.793   8.633  -0.727
  278    H    GLY  36           HN       GLY  36   0.268   4.087   0.320
  279   1HA   GLY  36          HA2       GLY  36  -1.817   3.032  -0.907
  280   2HA   GLY  36          HA1       GLY  36  -0.732   3.176  -2.279
  281    H    TYR  37           HN       TYR  37   1.362   2.580   0.105
  282    HA   TYR  37           HA       TYR  37   1.534  -0.214  -0.567
  283   1HB   TYR  37          HB2       TYR  37   3.187   1.533   1.263
  284   2HB   TYR  37          HB1       TYR  37   3.519  -0.175   0.990
  285    HD1  TYR  37           HD1      TYR  37   4.881  -0.825  -0.805
  286    HD2  TYR  37           HD2      TYR  37   3.151   3.056  -0.811
  287    HE1  TYR  37           HE1      TYR  37   6.224  -0.233  -2.778
  288    HE2  TYR  37           HE2      TYR  37   4.488   3.659  -2.777
  289    HH   TYR  37           HH       TYR  37   6.153   1.375  -4.638
  290    H    VAL  38           HN       VAL  38   1.458  -1.954   0.964
  291    HA   VAL  38           HA       VAL  38  -0.042  -1.394   3.420
  292    HB   VAL  38           HB       VAL  38  -1.466  -3.362   2.980
  293   1HG1  VAL  38          HG11      VAL  38  -1.632  -1.397   0.700
  294   2HG1  VAL  38          HG12      VAL  38  -2.169  -1.042   2.343
  295   3HG1  VAL  38          HG13      VAL  38  -2.948  -2.326   1.417
  296   1HG2  VAL  38          HG21      VAL  38   0.032  -4.571   1.496
  297   2HG2  VAL  38          HG22      VAL  38  -0.151  -3.319   0.268
  298   3HG2  VAL  38          HG23      VAL  38  -1.533  -4.317   0.723
  299    H    ARG  39           HN       ARG  39  -0.250  -4.476   3.319
  300    HA   ARG  39           HA       ARG  39   1.595  -5.166   5.203
  301   1HB   ARG  39          HB2       ARG  39  -0.456  -6.428   4.138
  302   2HB   ARG  39          HB1       ARG  39   0.801  -7.224   3.202
  303   1HG   ARG  39          HG2       ARG  39   0.345  -8.595   5.076
  304   2HG   ARG  39          HG1       ARG  39   1.907  -7.827   5.366
  305   1HD   ARG  39          HD2       ARG  39   0.932  -6.253   6.877
  306   2HD   ARG  39          HD1       ARG  39  -0.698  -6.782   6.460
  307    HE   ARG  39           HE       ARG  39   0.835  -8.939   7.478
  308   1HH1  ARG  39          HH11      ARG  39  -0.856  -6.058   8.468
  309   2HH1  ARG  39          HH12      ARG  39  -1.206  -6.654  10.056
  310   1HH2  ARG  39          HH21      ARG  39   0.378  -9.732   9.565
  311   2HH2  ARG  39          HH22      ARG  39  -0.503  -8.743  10.680
  312    H    SER  40           HN       SER  40   2.766  -7.558   4.148
  313    HA   SER  40           HA       SER  40   4.668  -8.391   3.272
  314   1HB   SER  40          HB2       SER  40   4.346  -6.032   1.424
  315   2HB   SER  40          HB1       SER  40   5.705  -7.150   1.297
  316    HG   SER  40           HG       SER  40   4.007  -8.834   1.204
  317    H    HIS  41           HN       HIS  41   5.333  -7.716   5.499
  318    HA   HIS  41           HA       HIS  41   6.916  -6.921   6.922
  319   1HB   HIS  41          HB2       HIS  41   8.467  -6.293   4.402
  320   2HB   HIS  41          HB1       HIS  41   9.130  -6.477   6.023
  321    HD1  HIS  41           HD1      HIS  41   7.816  -8.446   3.132
  322    HD2  HIS  41           HD2      HIS  41   9.447  -9.119   6.894
  323    HE1  HIS  41           HE1      HIS  41   8.348 -10.902   3.203
  324    HE2  HIS  41           HE2      HIS  41   9.413 -11.270   5.457
  325    H    SER  42           HN       SER  42   8.604  -4.837   6.999
  326    HA   SER  42           HA       SER  42   7.355  -2.435   6.001
  327   1HB   SER  42          HB2       SER  42   5.966  -2.875   7.968
  328   2HB   SER  42          HB1       SER  42   7.409  -2.996   8.976
  329    HG   SER  42           HG       SER  42   6.143  -0.884   8.779
  330    H    THR  43           HN       THR  43   9.940  -4.191   7.181
  331    HA   THR  43           HA       THR  43  11.646  -2.108   8.084
  332    HB   THR  43           HB       THR  43  12.453  -4.787   6.942
  333    HG1  THR  43           HG1      THR  43  12.219  -5.573   9.002
  334   1HG2  THR  43          HG21      THR  43  14.427  -4.467   8.439
  335   2HG2  THR  43          HG22      THR  43  13.868  -2.822   8.745
  336   3HG2  THR  43          HG23      THR  43  14.338  -3.304   7.116
  337    H    GLN  44           HN       GLN  44  12.488  -0.542   6.889
  338    HA   GLN  44           HA       GLN  44  13.092  -1.092   4.059
  339   1HB   GLN  44          HB2       GLN  44  12.422   1.617   5.207
  340   2HB   GLN  44          HB1       GLN  44  12.530   1.164   3.512
  341   1HG   GLN  44          HG2       GLN  44  10.560  -0.245   3.750
  342   2HG   GLN  44          HG1       GLN  44  10.457   0.175   5.458
  343   1HE2  GLN  44          HE21      GLN  44   9.997   1.269   2.202
  344   2HE2  GLN  44          HE22      GLN  44   9.107   2.697   2.589
  345    H    THR  45           HN       THR  45  15.238  -1.575   4.215
  346    HA   THR  45           HA       THR  45  17.006   0.622   4.895
  347    HB   THR  45           HB       THR  45  18.472  -0.839   6.298
  348    HG1  THR  45           HG1      THR  45  17.804  -2.812   6.884
  349   1HG2  THR  45          HG21      THR  45  17.219  -0.553   8.334
  350   2HG2  THR  45          HG22      THR  45  15.700  -0.486   7.439
  351   3HG2  THR  45          HG23      THR  45  16.881   0.815   7.272
  352    H    LEU  46           HN       LEU  46  18.581   0.745   3.447
  353    HA   LEU  46           HA       LEU  46  19.104  -1.589   1.737
  354   1HB   LEU  46          HB2       LEU  46  19.230   1.352   1.309
  355   2HB   LEU  46          HB1       LEU  46  20.409   0.371   0.460
  356    HG   LEU  46           HG       LEU  46  17.404   0.162   0.238
  357   1HD1  LEU  46          HD11      LEU  46  17.898   0.752  -2.145
  358   2HD1  LEU  46          HD12      LEU  46  19.554   1.106  -1.650
  359   3HD1  LEU  46          HD13      LEU  46  18.213   2.043  -0.985
  360   1HD2  LEU  46          HD21      LEU  46  19.562  -1.484  -1.070
  361   2HD2  LEU  46          HD22      LEU  46  17.849  -1.528  -1.489
  362   3HD2  LEU  46          HD23      LEU  46  18.380  -2.048   0.111
  363    H    THR  47           HN       THR  47  20.766  -2.762   2.434
  364    HA   THR  47           HA       THR  47  23.134  -1.342   3.479
  365    HB   THR  47           HB       THR  47  22.338  -4.179   4.163
  366    HG1  THR  47           HG1      THR  47  22.154  -2.091   6.032
  367   1HG2  THR  47          HG21      THR  47  23.949  -3.815   6.034
  368   2HG2  THR  47          HG22      THR  47  24.394  -2.278   5.292
  369   3HG2  THR  47          HG23      THR  47  24.692  -3.791   4.436
  370    H    CYS  48           HN       CYS  48  25.168  -2.015   2.726
  371    HA   CYS  48           HA       CYS  48  25.076  -3.338   0.174
  372   1HB   CYS  48          HB2       CYS  48  26.605  -1.426   0.556
  373   2HB   CYS  48          HB1       CYS  48  27.462  -2.365   1.765
  374    H    ASN  49           HN       ASN  49  25.043  -5.444   0.000
  375    HA   ASN  49           HA       ASN  49  26.000  -7.112   2.179
  376   1HB   ASN  49          HB2       ASN  49  24.973  -8.960   0.876
  377   2HB   ASN  49          HB1       ASN  49  23.834  -7.657   1.206
  378   1HD2  ASN  49          HD21      ASN  49  23.127  -6.357  -0.464
  379   2HD2  ASN  49          HD22      ASN  49  23.358  -6.776  -2.125
  380    H    SER  50           HN       SER  50  26.786  -9.390   0.779
  381    HA   SER  50           HA       SER  50  29.238  -8.415  -0.526
  382   1HB   SER  50          HB2       SER  50  29.679  -9.568   1.584
  383   2HB   SER  50          HB1       SER  50  28.790 -10.984   1.021
  384    HG   SER  50           HG       SER  50  30.611 -10.410  -0.809
  385    H    ASP  51           HN       ASP  51  27.238  -8.499  -2.214
  386    HA   ASP  51           HA       ASP  51  27.579 -10.971  -3.813
  387   1HB   ASP  51          HB2       ASP  51  25.127  -9.278  -3.376
  388   2HB   ASP  51          HB1       ASP  51  25.289 -10.332  -4.774
  389    H    GLY  52           HN       GLY  52  27.035  -7.481  -3.782
  390   1HA   GLY  52          HA2       GLY  52  28.782  -6.411  -5.374
  391   2HA   GLY  52          HA1       GLY  52  27.885  -7.315  -6.586
  392    H    GLU  53           HN       GLU  53  25.767  -6.547  -4.251
  393    HA   GLU  53           HA       GLU  53  25.194  -3.812  -5.099
  394   1HB   GLU  53          HB2       GLU  53  22.864  -4.415  -5.734
  395   2HB   GLU  53          HB1       GLU  53  24.089  -5.072  -6.812
  396   1HG   GLU  53          HG2       GLU  53  23.115  -6.747  -4.553
  397   2HG   GLU  53          HG1       GLU  53  22.091  -6.541  -5.970
  398    H    TRP  54           HN       TRP  54  22.568  -3.692  -4.258
  399    HA   TRP  54           HA       TRP  54  22.888  -3.719  -1.366
  400   1HB   TRP  54          HB2       TRP  54  20.771  -2.435  -3.098
  401   2HB   TRP  54          HB1       TRP  54  21.060  -2.136  -1.390
  402    HD1  TRP  54           HD1      TRP  54  22.441  -1.293  -4.845
  403    HE1  TRP  54           HE1      TRP  54  24.152   0.617  -4.603
  404    HE3  TRP  54           HE3      TRP  54  22.717  -1.116   0.232
  405    HZ2  TRP  54           HZ2      TRP  54  25.447   2.021  -2.514
  406    HZ3  TRP  54           HZ3      TRP  54  24.209   0.533   1.287
  407    HH2  TRP  54           HH2      TRP  54  25.548   2.068  -0.060
  408    H    VAL  55           HN       VAL  55  21.964  -5.170  -0.153
  409    HA   VAL  55           HA       VAL  55  19.827  -6.909  -1.220
  410    HB   VAL  55           HB       VAL  55  22.143  -7.347   0.549
  411   1HG1  VAL  55          HG11      VAL  55  20.456  -7.442   2.255
  412   2HG1  VAL  55          HG12      VAL  55  21.006  -9.078   1.896
  413   3HG1  VAL  55          HG13      VAL  55  19.460  -8.508   1.265
  414   1HG2  VAL  55          HG21      VAL  55  22.003  -9.587  -0.329
  415   2HG2  VAL  55          HG22      VAL  55  21.790  -8.436  -1.649
  416   3HG2  VAL  55          HG23      VAL  55  20.392  -9.274  -0.974
  417    H    TYR  56           HN       TYR  56  18.025  -7.382   0.141
  418    HA   TYR  56           HA       TYR  56  17.616  -6.325   2.639
  419   1HB   TYR  56          HB2       TYR  56  16.176  -4.330   2.162
  420   2HB   TYR  56          HB1       TYR  56  17.855  -4.108   1.676
  421    HD1  TYR  56           HD1      TYR  56  18.384  -4.671  -0.837
  422    HD2  TYR  56           HD2      TYR  56  14.489  -3.822   0.648
  423    HE1  TYR  56           HE1      TYR  56  17.656  -4.093  -3.108
  424    HE2  TYR  56           HE2      TYR  56  13.749  -3.241  -1.624
  425    HH   TYR  56           HH       TYR  56  15.529  -3.992  -4.387
  426    H    ASN  57           HN       ASN  57  15.148  -6.072   3.165
  427    HA   ASN  57           HA       ASN  57  13.795  -8.314   1.920
  428   1HB   ASN  57          HB2       ASN  57  13.120  -6.553   4.279
  429   2HB   ASN  57          HB1       ASN  57  12.018  -7.782   3.668
  430   1HD2  ASN  57          HD21      ASN  57  15.503  -8.112   3.708
  431   2HD2  ASN  57          HD22      ASN  57  15.559  -9.362   4.898
  432    H    THR  58           HN       THR  58  11.394  -8.039   1.421
  433    HA   THR  58           HA       THR  58  11.150  -5.747  -0.356
  434    HB   THR  58           HB       THR  58   9.150  -7.984  -0.054
  435    HG1  THR  58           HG1      THR  58  10.329  -8.871  -1.911
  436   1HG2  THR  58          HG21      THR  58   9.807  -6.165  -2.376
  437   2HG2  THR  58          HG22      THR  58   8.442  -5.955  -1.279
  438   3HG2  THR  58          HG23      THR  58   8.526  -7.376  -2.321
  439    H    PHE  59           HN       PHE  59  10.977  -4.282   1.523
  440    HA   PHE  59           HA       PHE  59   8.890  -4.306   3.355
  441   1HB   PHE  59          HB2       PHE  59   9.206  -1.709   3.219
  442   2HB   PHE  59          HB1       PHE  59  10.497  -2.723   3.851
  443    HD1  PHE  59           HD1      PHE  59   9.339  -0.959   0.808
  444    HD2  PHE  59           HD2      PHE  59  12.615  -2.721   2.874
  445    HE1  PHE  59           HE1      PHE  59  10.890  -0.017  -0.854
  446    HE2  PHE  59           HE2      PHE  59  14.170  -1.782   1.217
  447    HZ   PHE  59           HZ       PHE  59  13.308  -0.428  -0.650
  448    H    CYS  60           HN       CYS  60   6.792  -3.805   3.293
  449    HA   CYS  60           HA       CYS  60   4.724  -3.347   2.481
  450   1HB   CYS  60          HB2       CYS  60   5.979  -1.511   0.461
  451   2HB   CYS  60          HB1       CYS  60   4.410  -1.379   1.249
  452    H    ILE  61           HN       ILE  61   3.427  -3.205   0.295
  453    HA   ILE  61           HA       ILE  61   4.619  -4.949  -1.738
  454    HB   ILE  61           HB       ILE  61   3.457  -6.672  -0.810
  455   1HG1  ILE  61          HG12      ILE  61   1.105  -5.312  -2.137
  456   2HG1  ILE  61          HG11      ILE  61   2.392  -6.105  -3.036
  457   1HG2  ILE  61          HG21      ILE  61   1.300  -6.346   0.456
  458   2HG2  ILE  61          HG22      ILE  61   1.572  -4.610   0.299
  459   3HG2  ILE  61          HG23      ILE  61   2.732  -5.610   1.174
  460   1HD1  ILE  61          HD11      ILE  61   1.733  -8.215  -2.353
  461   2HD1  ILE  61          HD12      ILE  61   0.192  -7.374  -2.568
  462   3HD1  ILE  61          HD13      ILE  61   0.864  -7.599  -0.948
  463    H    TYR  62           HN       TYR  62   2.001  -2.843  -0.779
  464    HA   TYR  62           HA       TYR  62   0.696  -1.378  -1.944
  465   1HB   TYR  62          HB2       TYR  62   3.059  -1.011  -3.114
  466   2HB   TYR  62          HB1       TYR  62   2.217  -1.745  -4.479
  467    HD1  TYR  62           HD1      TYR  62  -0.539  -0.610  -3.911
  468    HD2  TYR  62           HD2      TYR  62   3.315   1.181  -3.912
  469    HE1  TYR  62           HE1      TYR  62  -1.567   1.569  -4.393
  470    HE2  TYR  62           HE2      TYR  62   2.315   3.371  -4.391
  471    HH   TYR  62           HH       TYR  62  -0.795   4.099  -3.947
  472    H    LYS  63           HN       LYS  63  -1.206  -2.241  -2.164
  473    HA   LYS  63           HA       LYS  63  -1.951  -3.594  -4.554
  474   1HB   LYS  63          HB2       LYS  63  -2.848  -5.617  -3.192
  475   2HB   LYS  63          HB1       LYS  63  -1.156  -5.598  -3.670
  476   1HG   LYS  63          HG2       LYS  63  -0.411  -5.300  -1.536
  477   2HG   LYS  63          HG1       LYS  63  -1.865  -4.438  -1.031
  478   1HD   LYS  63          HD2       LYS  63  -3.077  -6.418  -0.752
  479   2HD   LYS  63          HD1       LYS  63  -1.935  -7.361  -1.702
  480   1HE   LYS  63          HE2       LYS  63  -0.282  -7.145   0.042
  481   2HE   LYS  63          HE1       LYS  63  -1.352  -6.119   0.990
  482   1HZ   LYS  63          HZ1       LYS  63  -1.423  -8.351   1.829
  483   2HZ   LYS  63          HZ2       LYS  63  -1.781  -8.979   0.300
  484   3HZ   LYS  63          HZ3       LYS  63  -2.911  -8.008   1.100
  485    H    ARG  64           HN       ARG  64  -3.675  -2.248  -4.838
  486    HA   ARG  64           HA       ARG  64  -5.458  -1.729  -2.599
  487   1HB   ARG  64          HB2       ARG  64  -6.630  -0.270  -4.356
  488   2HB   ARG  64          HB1       ARG  64  -5.039   0.238  -3.807
  489   1HG   ARG  64          HG2       ARG  64  -5.063  -1.502  -6.177
  490   2HG   ARG  64          HG1       ARG  64  -5.771   0.100  -6.391
  491   1HD   ARG  64          HD2       ARG  64  -3.058  -0.376  -5.178
  492   2HD   ARG  64          HD1       ARG  64  -3.315  -0.067  -6.894
  493    HE   ARG  64           HE       ARG  64  -4.195   1.864  -4.854
  494   1HH1  ARG  64          HH11      ARG  64  -2.356   1.064  -7.703
  495   2HH1  ARG  64          HH12      ARG  64  -1.928   2.707  -8.046
  496   1HH2  ARG  64          HH21      ARG  64  -3.636   4.032  -5.298
  497   2HH2  ARG  64          HH22      ARG  64  -2.655   4.393  -6.679
  498    H    CYS  65           HN       CYS  65  -7.897  -1.535  -3.661
  499    HA   CYS  65           HA       CYS  65  -8.445  -4.214  -4.761
  500   1HB   CYS  65          HB2       CYS  65 -10.357  -2.630  -3.046
  501   2HB   CYS  65          HB1       CYS  65 -10.437  -4.336  -3.469
  502    H    ARG  66           HN       ARG  66  -9.998  -4.346  -6.412
  503    HA   ARG  66           HA       ARG  66 -10.149  -2.191  -8.126
  504   1HB   ARG  66          HB2       ARG  66 -10.683  -4.595  -8.708
  505   2HB   ARG  66          HB1       ARG  66 -12.241  -4.372  -7.936
  506   1HG   ARG  66          HG2       ARG  66 -11.772  -2.291  -9.856
  507   2HG   ARG  66          HG1       ARG  66 -11.575  -3.884 -10.595
  508   1HD   ARG  66          HD2       ARG  66 -13.752  -4.493  -9.426
  509   2HD   ARG  66          HD1       ARG  66 -13.962  -2.761  -9.171
  510    HE   ARG  66           HE       ARG  66 -13.441  -3.091 -11.863
  511   1HH1  ARG  66          HH11      ARG  66 -15.871  -4.105  -9.583
  512   2HH1  ARG  66          HH12      ARG  66 -17.131  -4.195 -10.768
  513   1HH2  ARG  66          HH21      ARG  66 -15.095  -3.207 -13.432
  514   2HH2  ARG  66          HH22      ARG  66 -16.690  -3.685 -12.956
  515    H    HIS  67           HN       HIS  67 -11.576  -0.515  -8.408
  516    HA   HIS  67           HA       HIS  67 -12.803   0.591  -6.191
  517   1HB   HIS  67          HB2       HIS  67 -12.197   1.627  -8.493
  518   2HB   HIS  67          HB1       HIS  67 -13.819   1.131  -8.967
  519    HD1  HIS  67           HD1      HIS  67 -12.068   3.927  -7.643
  520    HD2  HIS  67           HD2      HIS  67 -15.819   2.261  -6.995
  521    HE1  HIS  67           HE1      HIS  67 -13.444   5.755  -6.603
  522    HE2  HIS  67           HE2      HIS  67 -15.740   4.757  -6.319
  523    HA   PRO  68           HA       PRO  68 -16.259  -2.221  -5.364
  524   1HB   PRO  68          HB2       PRO  68 -17.211   0.462  -4.441
  525   2HB   PRO  68          HB1       PRO  68 -17.400  -1.121  -3.674
  526   1HG   PRO  68          HG2       PRO  68 -15.524   0.598  -2.855
  527   2HG   PRO  68          HG1       PRO  68 -15.215  -1.146  -2.903
  528   1HD   PRO  68          HD2       PRO  68 -14.134   0.991  -4.623
  529   2HD   PRO  68          HD1       PRO  68 -13.496  -0.633  -4.307
  530    H    GLY  69           HN       GLY  69 -16.526   0.966  -6.862
  531   1HA   GLY  69          HA2       GLY  69 -17.593   1.189  -9.013
  532   2HA   GLY  69          HA1       GLY  69 -18.702  -0.092  -8.539
  533    H    GLU  70           HN       GLU  70 -20.136   1.644  -9.393
  534    HA   GLU  70           HA       GLU  70 -20.664   3.866  -7.602
  535   1HB   GLU  70          HB2       GLU  70 -20.863   4.116 -10.096
  536   2HB   GLU  70          HB1       GLU  70 -22.222   3.002 -10.046
  537   1HG   GLU  70          HG2       GLU  70 -23.444   4.553  -8.610
  538   2HG   GLU  70          HG1       GLU  70 -22.081   5.670  -8.656
  539    H    LEU  71           HN       LEU  71 -21.981   3.927  -6.044
  540    HA   LEU  71           HA       LEU  71 -23.640   1.588  -5.520
  541   1HB   LEU  71          HB2       LEU  71 -22.135   2.355  -3.751
  542   2HB   LEU  71          HB1       LEU  71 -22.861   3.948  -3.795
  543    HG   LEU  71           HG       LEU  71 -24.928   3.056  -2.939
  544   1HD1  LEU  71          HD11      LEU  71 -24.992   0.695  -2.102
  545   2HD1  LEU  71          HD12      LEU  71 -23.548   0.405  -3.078
  546   3HD1  LEU  71          HD13      LEU  71 -25.057   0.889  -3.855
  547   1HD2  LEU  71          HD21      LEU  71 -22.525   2.256  -1.340
  548   2HD2  LEU  71          HD22      LEU  71 -24.164   2.360  -0.696
  549   3HD2  LEU  71          HD23      LEU  71 -23.364   3.808  -1.306
  550    H    ARG  72           HN       ARG  72 -25.411   1.790  -6.745
  551    HA   ARG  72           HA       ARG  72 -26.715   4.245  -7.313
  552   1HB   ARG  72          HB2       ARG  72 -27.007   2.173  -8.699
  553   2HB   ARG  72          HB1       ARG  72 -27.914   1.456  -7.375
  554   1HG   ARG  72          HG2       ARG  72 -29.646   3.116  -7.600
  555   2HG   ARG  72          HG1       ARG  72 -28.718   3.959  -8.842
  556   1HD   ARG  72          HD2       ARG  72 -30.441   2.616  -9.879
  557   2HD   ARG  72          HD1       ARG  72 -28.853   1.955 -10.267
  558    HE   ARG  72           HE       ARG  72 -29.883   0.670  -7.982
  559   1HH1  ARG  72          HH11      ARG  72 -30.362   0.864 -11.428
  560   2HH1  ARG  72          HH12      ARG  72 -31.004  -0.739 -11.558
  561   1HH2  ARG  72          HH21      ARG  72 -30.728  -1.441  -8.144
  562   2HH2  ARG  72          HH22      ARG  72 -31.212  -2.050  -9.693
  563    H    ASN  73           HN       ASN  73 -28.009   5.439  -6.274
  564    HA   ASN  73           HA       ASN  73 -29.161   6.334  -4.523
  565   1HB   ASN  73          HB2       ASN  73 -30.044   3.446  -4.185
  566   2HB   ASN  73          HB1       ASN  73 -30.758   4.813  -3.333
  567   1HD2  ASN  73          HD21      ASN  73 -31.970   2.911  -5.187
  568   2HD2  ASN  73          HD22      ASN  73 -32.644   3.858  -6.466
  569    H    GLY  74           HN       GLY  74 -26.522   5.953  -4.152
  570   1HA   GLY  74          HA2       GLY  74 -26.305   5.715  -1.350
  571   2HA   GLY  74          HA1       GLY  74 -25.641   4.289  -2.127
  572    H    GLN  75           HN       GLN  75 -23.877   5.563  -0.696
  573    HA   GLN  75           HA       GLN  75 -22.238   6.995  -2.671
  574   1HB   GLN  75          HB2       GLN  75 -23.261   8.606  -1.067
  575   2HB   GLN  75          HB1       GLN  75 -22.447   7.765   0.244
  576   1HG   GLN  75          HG2       GLN  75 -20.289   8.348  -0.674
  577   2HG   GLN  75          HG1       GLN  75 -21.060   9.109  -2.065
  578   1HE2  GLN  75          HE21      GLN  75 -23.212  10.236  -0.433
  579   2HE2  GLN  75          HE22      GLN  75 -22.514  11.570   0.414
  580    H    VAL  76           HN       VAL  76 -20.144   6.402  -2.756
  581    HA   VAL  76           HA       VAL  76 -19.294   4.305  -0.868
  582    HB   VAL  76           HB       VAL  76 -18.117   4.872  -3.589
  583   1HG1  VAL  76          HG11      VAL  76 -17.016   2.714  -3.289
  584   2HG1  VAL  76          HG12      VAL  76 -17.761   2.543  -1.699
  585   3HG1  VAL  76          HG13      VAL  76 -16.582   3.822  -1.985
  586   1HG2  VAL  76          HG21      VAL  76 -19.266   2.732  -4.223
  587   2HG2  VAL  76          HG22      VAL  76 -20.344   4.100  -3.943
  588   3HG2  VAL  76          HG23      VAL  76 -20.169   2.848  -2.713
  589    H    GLU  77           HN       GLU  77 -18.118   5.204   0.742
  590    HA   GLU  77           HA       GLU  77 -16.554   7.565   0.338
  591   1HB   GLU  77          HB2       GLU  77 -17.556   7.139   2.512
  592   2HB   GLU  77          HB1       GLU  77 -16.655   5.637   2.662
  593   1HG   GLU  77          HG2       GLU  77 -15.597   7.312   3.997
  594   2HG   GLU  77          HG1       GLU  77 -14.552   6.943   2.626
  595    H    ILE  78           HN       ILE  78 -14.925   7.294  -1.090
  596    HA   ILE  78           HA       ILE  78 -13.033   5.093  -0.607
  597    HB   ILE  78           HB       ILE  78 -13.450   6.731  -3.109
  598   1HG1  ILE  78          HG12      ILE  78 -15.215   5.059  -2.656
  599   2HG1  ILE  78          HG11      ILE  78 -14.269   4.649  -4.083
  600   1HG2  ILE  78          HG21      ILE  78 -11.142   6.222  -3.009
  601   2HG2  ILE  78          HG22      ILE  78 -11.860   5.038  -4.103
  602   3HG2  ILE  78          HG23      ILE  78 -11.454   4.579  -2.449
  603   1HD1  ILE  78          HD11      ILE  78 -13.996   3.423  -1.349
  604   2HD1  ILE  78          HD12      ILE  78 -12.992   3.035  -2.746
  605   3HD1  ILE  78          HD13      ILE  78 -14.718   2.675  -2.774
  606    H    LYS  79           HN       LYS  79 -11.776   5.977   0.947
  607    HA   LYS  79           HA       LYS  79 -10.183   8.329   0.174
  608   1HB   LYS  79          HB2       LYS  79 -10.096   8.471   2.861
  609   2HB   LYS  79          HB1       LYS  79 -11.299   9.316   1.895
  610   1HG   LYS  79          HG2       LYS  79 -12.430   8.238   3.697
  611   2HG   LYS  79          HG1       LYS  79 -12.814   7.361   2.218
  612   1HD   LYS  79          HD2       LYS  79 -11.137   5.676   2.751
  613   2HD   LYS  79          HD1       LYS  79 -10.810   6.520   4.276
  614   1HE   LYS  79          HE2       LYS  79 -13.510   5.468   3.458
  615   2HE   LYS  79          HE1       LYS  79 -12.374   4.593   4.473
  616   1HZ   LYS  79          HZ1       LYS  79 -14.020   5.750   5.799
  617   2HZ   LYS  79          HZ2       LYS  79 -13.578   7.229   5.106
  618   3HZ   LYS  79          HZ3       LYS  79 -12.481   6.394   6.086
  619    H    THR  80           HN       THR  80  -9.839   5.352   0.046
  620    HA   THR  80           HA       THR  80  -7.201   5.294   1.317
  621    HB   THR  80           HB       THR  80  -7.506   3.160   2.286
  622    HG1  THR  80           HG1      THR  80  -8.807   2.344   0.481
  623   1HG2  THR  80          HG21      THR  80 -10.013   4.788   2.745
  624   2HG2  THR  80          HG22      THR  80  -8.500   4.888   3.652
  625   3HG2  THR  80          HG23      THR  80  -9.494   3.435   3.757
  626    H    ASP  81           HN       ASP  81  -8.924   5.129  -1.425
  627    HA   ASP  81           HA       ASP  81  -8.534   4.282  -3.540
  628   1HB   ASP  81          HB2       ASP  81  -5.832   3.788  -2.303
  629   2HB   ASP  81          HB1       ASP  81  -6.175   3.591  -4.019
  630    H    LEU  82           HN       LEU  82  -8.998   2.574  -0.972
  631    HA   LEU  82           HA       LEU  82  -9.583   0.444  -0.470
  632   1HB   LEU  82          HB2       LEU  82  -9.191   0.024  -3.435
  633   2HB   LEU  82          HB1       LEU  82  -9.907  -1.155  -2.358
  634    HG   LEU  82           HG       LEU  82 -11.746  -0.200  -3.406
  635   1HD1  LEU  82          HD11      LEU  82 -11.997  -0.174  -0.971
  636   2HD1  LEU  82          HD12      LEU  82 -12.913   1.114  -1.752
  637   3HD1  LEU  82          HD13      LEU  82 -11.394   1.483  -0.936
  638   1HD2  LEU  82          HD21      LEU  82 -10.443   2.496  -3.079
  639   2HD2  LEU  82          HD22      LEU  82 -12.037   2.207  -3.775
  640   3HD2  LEU  82          HD23      LEU  82 -10.598   1.578  -4.577
  641    H    SER  83           HN       SER  83  -7.073   1.041   0.200
  642    HA   SER  83           HA       SER  83  -5.290  -0.966  -0.940
  643   1HB   SER  83          HB2       SER  83  -4.746   1.143   1.163
  644   2HB   SER  83          HB1       SER  83  -3.537   0.101   0.411
  645    HG   SER  83           HG       SER  83  -4.327   1.057  -1.635
  646    H    PHE  84           HN       PHE  84  -4.796  -2.851  -0.007
  647    HA   PHE  84           HA       PHE  84  -6.099  -4.310   1.762
  648   1HB   PHE  84          HB2       PHE  84  -4.052  -5.108   0.726
  649   2HB   PHE  84          HB1       PHE  84  -3.085  -4.039   1.735
  650    HD1  PHE  84           HD1      PHE  84  -2.558  -4.600   3.991
  651    HD2  PHE  84           HD2      PHE  84  -5.147  -7.075   1.692
  652    HE1  PHE  84           HE1      PHE  84  -2.357  -6.373   5.683
  653    HE2  PHE  84           HE2      PHE  84  -4.952  -8.854   3.383
  654    HZ   PHE  84           HZ       PHE  84  -3.556  -8.504   5.381
  655    H    GLY  85           HN       GLY  85  -6.711  -4.264   3.875
  656   1HA   GLY  85          HA2       GLY  85  -6.652  -3.774   6.134
  657   2HA   GLY  85          HA1       GLY  85  -5.129  -2.938   5.882
  658    H    SER  86           HN       SER  86  -8.253  -2.303   4.285
  659    HA   SER  86           HA       SER  86  -8.471   0.190   5.803
  660   1HB   SER  86          HB2       SER  86  -8.497   0.066   2.784
  661   2HB   SER  86          HB1       SER  86  -8.942   1.482   3.742
  662    HG   SER  86           HG       SER  86  -6.767   1.282   4.671
  663    H    GLN  87           HN       GLN  87 -10.493   1.163   5.806
  664    HA   GLN  87           HA       GLN  87 -12.700  -0.630   5.029
  665   1HB   GLN  87          HB2       GLN  87 -12.899  -0.739   7.302
  666   2HB   GLN  87          HB1       GLN  87 -12.139   0.823   7.555
  667   1HG   GLN  87          HG2       GLN  87 -14.842   0.762   6.327
  668   2HG   GLN  87          HG1       GLN  87 -14.690   0.424   8.052
  669   1HE2  GLN  87          HE21      GLN  87 -14.459   2.804   5.572
  670   2HE2  GLN  87          HE22      GLN  87 -14.219   4.169   6.597
  671    H    ILE  88           HN       ILE  88 -14.351   0.214   3.870
  672    HA   ILE  88           HA       ILE  88 -14.398   3.132   3.448
  673    HB   ILE  88           HB       ILE  88 -15.196   2.738   1.149
  674   1HG1  ILE  88          HG12      ILE  88 -14.297  -0.121   1.483
  675   2HG1  ILE  88          HG11      ILE  88 -15.979   0.362   1.671
  676   1HG2  ILE  88          HG21      ILE  88 -12.841   3.217   1.612
  677   2HG2  ILE  88          HG22      ILE  88 -13.034   2.179   0.199
  678   3HG2  ILE  88          HG23      ILE  88 -12.518   1.487   1.737
  679   1HD1  ILE  88          HD11      ILE  88 -14.335   0.793  -0.806
  680   2HD1  ILE  88          HD12      ILE  88 -16.051   1.148  -0.603
  681   3HD1  ILE  88          HD13      ILE  88 -15.484  -0.522  -0.560
  682    H    GLU  89           HN       GLU  89 -16.168   3.944   4.330
  683    HA   GLU  89           HA       GLU  89 -18.468   2.317   4.869
  684   1HB   GLU  89          HB2       GLU  89 -17.611   5.102   5.476
  685   2HB   GLU  89          HB1       GLU  89 -19.323   4.729   5.558
  686   1HG   GLU  89          HG2       GLU  89 -18.894   2.982   7.181
  687   2HG   GLU  89          HG1       GLU  89 -17.159   3.278   7.062
  688    H    PHE  90           HN       PHE  90 -20.638   2.897   4.239
  689    HA   PHE  90           HA       PHE  90 -20.768   4.138   1.565
  690   1HB   PHE  90          HB2       PHE  90 -22.471   1.879   2.630
  691   2HB   PHE  90          HB1       PHE  90 -22.570   2.587   1.022
  692    HD1  PHE  90           HD1      PHE  90 -20.789   0.303   3.192
  693    HD2  PHE  90           HD2      PHE  90 -20.751   2.229  -0.605
  694    HE1  PHE  90           HE1      PHE  90 -19.106  -1.301   2.394
  695    HE2  PHE  90           HE2      PHE  90 -19.072   0.624  -1.408
  696    HZ   PHE  90           HZ       PHE  90 -18.246  -1.144   0.092
  697    H    SER  91           HN       SER  91 -23.255   4.622   1.105
  698    HA   SER  91           HA       SER  91 -24.697   5.560   3.402
  699   1HB   SER  91          HB2       SER  91 -23.589   7.626   1.496
  700   2HB   SER  91          HB1       SER  91 -24.665   7.929   2.859
  701    HG   SER  91           HG       SER  91 -22.976   7.981   4.089
  702    H    CYS  92           HN       CYS  92 -26.633   4.849   2.862
  703    HA   CYS  92           HA       CYS  92 -27.500   4.872   0.088
  704   1HB   CYS  92          HB2       CYS  92 -28.815   3.891   2.628
  705   2HB   CYS  92          HB1       CYS  92 -29.651   3.928   1.080
  706    H    SER  93           HN       SER  93 -28.434   6.576  -0.810
  707    HA   SER  93           HA       SER  93 -28.820   9.009   0.387
  708   1HB   SER  93          HB2       SER  93 -30.421   9.479  -1.534
  709   2HB   SER  93          HB1       SER  93 -28.801   8.929  -1.980
  710    HG   SER  93           HG       SER  93 -30.625   7.876  -3.070
  711    H    GLU  94           HN       GLU  94 -30.854  10.247   0.591
  712    HA   GLU  94           HA       GLU  94 -32.412   9.481   2.679
  713   1HB   GLU  94          HB2       GLU  94 -32.489  11.737   1.957
  714   2HB   GLU  94          HB1       GLU  94 -33.026  11.285   0.346
  715   1HG   GLU  94          HG2       GLU  94 -34.885  12.212   1.444
  716   2HG   GLU  94          HG1       GLU  94 -35.149  10.470   1.390
  717    H    GLY  95           HN       GLY  95 -34.503   8.639   2.939
  718   1HA   GLY  95          HA2       GLY  95 -36.347   7.342   2.451
  719   2HA   GLY  95          HA1       GLY  95 -35.970   7.526   0.745
  720    H    PHE  96           HN       PHE  96 -33.217   6.442   1.091
  721    HA   PHE  96           HA       PHE  96 -34.008   3.612   1.316
  722   1HB   PHE  96          HB2       PHE  96 -31.648   4.601  -0.280
  723   2HB   PHE  96          HB1       PHE  96 -32.474   3.050  -0.392
  724    HD1  PHE  96           HD1      PHE  96 -34.809   2.996  -1.350
  725    HD2  PHE  96           HD2      PHE  96 -32.270   6.398  -1.633
  726    HE1  PHE  96           HE1      PHE  96 -36.178   3.858  -3.202
  727    HE2  PHE  96           HE2      PHE  96 -33.635   7.268  -3.486
  728    HZ   PHE  96           HZ       PHE  96 -35.593   5.998  -4.272
  729    H    PHE  97           HN       PHE  97 -32.989   2.430   2.818
  730    HA   PHE  97           HA       PHE  97 -30.784   3.711   4.259
  731   1HB   PHE  97          HB2       PHE  97 -31.264   2.179   6.090
  732   2HB   PHE  97          HB1       PHE  97 -32.722   3.036   5.609
  733    HD1  PHE  97           HD1      PHE  97 -34.249   1.774   3.896
  734    HD2  PHE  97           HD2      PHE  97 -31.350  -0.095   6.388
  735    HE1  PHE  97           HE1      PHE  97 -35.447  -0.364   3.678
  736    HE2  PHE  97           HE2      PHE  97 -32.541  -2.237   6.174
  737    HZ   PHE  97           HZ       PHE  97 -34.592  -2.374   4.817
  738    H    LEU  98           HN       LEU  98 -29.172   2.215   5.204
  739    HA   LEU  98           HA       LEU  98 -27.923   0.752   3.045
  740   1HB   LEU  98          HB2       LEU  98 -26.785   2.361   4.672
  741   2HB   LEU  98          HB1       LEU  98 -26.911   1.086   5.865
  742    HG   LEU  98           HG       LEU  98 -24.679   1.243   4.797
  743   1HD1  LEU  98          HD11      LEU  98 -26.241  -1.294   4.408
  744   2HD1  LEU  98          HD12      LEU  98 -25.241  -0.838   5.785
  745   3HD1  LEU  98          HD13      LEU  98 -24.492  -1.187   4.227
  746   1HD2  LEU  98          HD21      LEU  98 -25.403   1.920   2.567
  747   2HD2  LEU  98          HD22      LEU  98 -26.110   0.323   2.314
  748   3HD2  LEU  98          HD23      LEU  98 -24.365   0.493   2.517
  749    H    ILE  99           HN       ILE  99 -27.717  -1.388   2.874
  750    HA   ILE  99           HA       ILE  99 -28.094  -3.199   5.112
  751    HB   ILE  99           HB       ILE  99 -29.627  -4.115   2.811
  752   1HG1  ILE  99          HG12      ILE  99 -30.856  -1.854   4.366
  753   2HG1  ILE  99          HG11      ILE  99 -30.039  -1.596   2.831
  754   1HG2  ILE  99          HG21      ILE  99 -30.466  -3.751   5.679
  755   2HG2  ILE  99          HG22      ILE  99 -29.547  -5.133   5.083
  756   3HG2  ILE  99          HG23      ILE  99 -31.177  -4.831   4.480
  757   1HD1  ILE  99          HD11      ILE  99 -32.509  -1.788   2.669
  758   2HD1  ILE  99          HD12      ILE  99 -32.359  -3.469   3.183
  759   3HD1  ILE  99          HD13      ILE  99 -31.620  -2.940   1.672
  760    H    GLY 100           HN       GLY 100 -26.071  -3.855   4.814
  761   1HA   GLY 100          HA2       GLY 100 -25.287  -5.971   3.405
  762   2HA   GLY 100          HA1       GLY 100 -25.083  -4.691   2.218
  763    H    SER 101           HN       SER 101 -24.566  -4.643   5.687
  764    HA   SER 101           HA       SER 101 -22.769  -4.134   6.975
  765   1HB   SER 101          HB2       SER 101 -21.372  -5.215   4.537
  766   2HB   SER 101          HB1       SER 101 -20.470  -4.627   5.934
  767    HG   SER 101           HG       SER 101 -21.022  -6.956   5.851
  768    H    THR 102           HN       THR 102 -22.812  -1.989   7.335
  769    HA   THR 102           HA       THR 102 -22.535  -0.022   5.332
  770    HB   THR 102           HB       THR 102 -22.460   1.607   7.120
  771    HG1  THR 102           HG1      THR 102 -21.624   1.116   9.004
  772   1HG2  THR 102          HG21      THR 102 -24.657   0.767   6.760
  773   2HG2  THR 102          HG22      THR 102 -24.426   0.840   8.508
  774   3HG2  THR 102          HG23      THR 102 -24.313  -0.706   7.667
  775    H    THR 103           HN       THR 103 -20.282  -2.050   6.605
  776    HA   THR 103           HA       THR 103 -18.121  -0.154   6.010
  777    HB   THR 103           HB       THR 103 -16.698  -1.601   7.457
  778    HG1  THR 103           HG1      THR 103 -18.934  -2.590   8.772
  779   1HG2  THR 103          HG21      THR 103 -17.673  -0.743   9.608
  780   2HG2  THR 103          HG22      THR 103 -19.059  -0.187   8.668
  781   3HG2  THR 103          HG23      THR 103 -17.454   0.471   8.347
  782    H    SER 104           HN       SER 104 -16.237  -1.065   4.966
  783    HA   SER 104           HA       SER 104 -16.468  -3.725   3.867
  784   1HB   SER 104          HB2       SER 104 -16.622  -1.225   2.202
  785   2HB   SER 104          HB1       SER 104 -15.828  -2.661   1.553
  786    HG   SER 104           HG       SER 104 -18.450  -2.646   2.632
  787    H    ARG 105           HN       ARG 105 -14.613  -4.603   4.246
  788    HA   ARG 105           HA       ARG 105 -12.243  -2.914   4.586
  789   1HB   ARG 105          HB2       ARG 105 -12.712  -5.783   5.405
  790   2HB   ARG 105          HB1       ARG 105 -11.289  -4.823   5.786
  791   1HG   ARG 105          HG2       ARG 105 -14.006  -3.888   6.603
  792   2HG   ARG 105          HG1       ARG 105 -13.148  -5.095   7.557
  793   1HD   ARG 105          HD2       ARG 105 -11.231  -3.540   7.729
  794   2HD   ARG 105          HD1       ARG 105 -12.169  -2.330   6.854
  795    HE   ARG 105           HE       ARG 105 -13.658  -3.167   9.070
  796   1HH1  ARG 105          HH11      ARG 105 -10.734  -1.418   8.342
  797   2HH1  ARG 105          HH12      ARG 105 -10.806  -0.444   9.772
  798   1HH2  ARG 105          HH21      ARG 105 -13.762  -1.890  10.957
  799   2HH2  ARG 105          HH22      ARG 105 -12.527  -0.714  11.259
  800    H    CYS 106           HN       CYS 106 -10.321  -3.303   3.572
  801    HA   CYS 106           HA       CYS 106 -10.516  -4.796   1.072
  802   1HB   CYS 106          HB2       CYS 106  -9.096  -2.417   1.969
  803   2HB   CYS 106          HB1       CYS 106  -8.038  -3.546   1.128
  804    H    GLU 107           HN       GLU 107  -9.766  -6.782   0.997
  805    HA   GLU 107           HA       GLU 107  -7.489  -7.500   2.714
  806   1HB   GLU 107          HB2       GLU 107  -9.861  -8.360   3.374
  807   2HB   GLU 107          HB1       GLU 107  -9.653  -9.464   2.020
  808   1HG   GLU 107          HG2       GLU 107  -7.639 -10.362   3.048
  809   2HG   GLU 107          HG1       GLU 107  -7.825  -9.244   4.399
  810    H    VAL 108           HN       VAL 108  -6.901  -9.906   1.874
  811    HA   VAL 108           HA       VAL 108  -6.593  -9.739  -1.043
  812    HB   VAL 108           HB       VAL 108  -4.502  -9.245  -0.054
  813   1HG1  VAL 108          HG11      VAL 108  -5.014 -11.656   1.614
  814   2HG1  VAL 108          HG12      VAL 108  -4.648 -10.000   2.115
  815   3HG1  VAL 108          HG13      VAL 108  -3.387 -11.008   1.395
  816   1HG2  VAL 108          HG21      VAL 108  -4.347 -10.578  -2.058
  817   2HG2  VAL 108          HG22      VAL 108  -4.555 -12.064  -1.126
  818   3HG2  VAL 108          HG23      VAL 108  -3.091 -11.101  -0.932
  819    H    GLN 109           HN       GLN 109  -6.266 -11.772  -2.147
  820    HA   GLN 109           HA       GLN 109  -6.526 -14.312  -1.415
  821   1HB   GLN 109          HB2       GLN 109  -8.885 -14.911  -1.226
  822   2HB   GLN 109          HB1       GLN 109  -8.441 -13.760   0.027
  823   1HG   GLN 109          HG2       GLN 109  -9.450 -11.956  -1.235
  824   2HG   GLN 109          HG1       GLN 109  -9.836 -13.068  -2.546
  825   1HE2  GLN 109          HE21      GLN 109 -10.618 -12.062   0.685
  826   2HE2  GLN 109          HE22      GLN 109 -12.135 -12.883   0.794
  827    H    ASP 110           HN       ASP 110  -6.121 -12.445  -3.674
  828    HA   ASP 110           HA       ASP 110  -7.037 -14.219  -5.741
  829   1HB   ASP 110          HB2       ASP 110  -7.988 -11.357  -5.626
  830   2HB   ASP 110          HB1       ASP 110  -8.027 -12.326  -7.096
  831    H    ARG 111           HN       ARG 111  -6.515 -11.192  -7.054
  832    HA   ARG 111           HA       ARG 111  -3.874 -11.962  -7.880
  833   1HB   ARG 111          HB2       ARG 111  -4.021  -9.895  -9.315
  834   2HB   ARG 111          HB1       ARG 111  -5.251 -11.112  -9.631
  835   1HG   ARG 111          HG2       ARG 111  -6.867  -9.838  -8.336
  836   2HG   ARG 111          HG1       ARG 111  -5.635  -8.628  -7.973
  837   1HD   ARG 111          HD2       ARG 111  -5.419  -8.125 -10.352
  838   2HD   ARG 111          HD1       ARG 111  -6.636  -9.345 -10.725
  839    HE   ARG 111           HE       ARG 111  -7.862  -7.646  -8.966
  840   1HH1  ARG 111          HH11      ARG 111  -6.285  -7.307 -12.054
  841   2HH1  ARG 111          HH12      ARG 111  -7.258  -5.961 -12.547
  842   1HH2  ARG 111          HH21      ARG 111  -9.147  -5.876  -9.607
  843   2HH2  ARG 111          HH22      ARG 111  -8.884  -5.147 -11.156
  844    H    GLY 112           HN       GLY 112  -3.765 -11.607  -5.283
  845   1HA   GLY 112          HA2       GLY 112  -2.035 -10.615  -4.006
  846   2HA   GLY 112          HA1       GLY 112  -2.095  -9.209  -5.062
  847    H    VAL 113           HN       VAL 113  -5.203  -9.673  -4.703
  848    HA   VAL 113           HA       VAL 113  -5.611  -8.951  -1.997
  849    HB   VAL 113           HB       VAL 113  -5.267  -6.759  -2.111
  850   1HG1  VAL 113          HG11      VAL 113  -5.170  -7.172  -5.080
  851   2HG1  VAL 113          HG12      VAL 113  -3.821  -6.952  -3.957
  852   3HG1  VAL 113          HG13      VAL 113  -4.903  -5.600  -4.321
  853   1HG2  VAL 113          HG21      VAL 113  -7.658  -6.593  -2.218
  854   2HG2  VAL 113          HG22      VAL 113  -7.637  -6.790  -3.971
  855   3HG2  VAL 113          HG23      VAL 113  -6.960  -5.336  -3.239
  856    H    GLY 114           HN       GLY 114  -7.716  -9.155  -1.343
  857   1HA   GLY 114          HA2       GLY 114  -9.654  -9.779  -3.461
  858   2HA   GLY 114          HA1       GLY 114  -9.556 -10.661  -1.940
  859    H    TRP 115           HN       TRP 115 -11.768  -9.009  -3.195
  860    HA   TRP 115           HA       TRP 115 -12.041  -6.828  -1.309
  861   1HB   TRP 115          HB2       TRP 115 -13.088  -7.336  -3.889
  862   2HB   TRP 115          HB1       TRP 115 -14.456  -7.292  -2.791
  863    HD1  TRP 115           HD1      TRP 115 -13.152  -5.056  -5.058
  864    HE1  TRP 115           HE1      TRP 115 -13.184  -2.602  -4.278
  865    HE3  TRP 115           HE3      TRP 115 -13.720  -5.797  -0.028
  866    HZ2  TRP 115           HZ2      TRP 115 -13.413  -1.174  -1.863
  867    HZ3  TRP 115           HZ3      TRP 115 -13.834  -3.833   1.445
  868    HH2  TRP 115           HH2      TRP 115 -13.683  -1.569   0.546
  869    H    SER 116           HN       SER 116 -13.017  -7.008   0.603
  870    HA   SER 116           HA       SER 116 -14.165  -9.443   1.483
  871   1HB   SER 116          HB2       SER 116 -13.096  -7.905   3.056
  872   2HB   SER 116          HB1       SER 116 -14.306  -6.672   2.703
  873    HG   SER 116           HG       SER 116 -15.466  -9.009   3.423
  874    H    HIS 117           HN       HIS 117 -15.650  -6.235   1.017
  875    HA   HIS 117           HA       HIS 117 -18.042  -7.455  -0.094
  876   1HB   HIS 117          HB2       HIS 117 -18.067  -5.833   2.457
  877   2HB   HIS 117          HB1       HIS 117 -19.504  -6.127   1.484
  878    HD1  HIS 117           HD1      HIS 117 -17.368  -7.639   4.061
  879    HD2  HIS 117           HD2      HIS 117 -20.315  -8.893   1.413
  880    HE1  HIS 117           HE1      HIS 117 -18.104  -9.897   4.891
  881    HE2  HIS 117           HE2      HIS 117 -19.948 -10.596   3.323
  882    HA   PRO 118           HA       PRO 118 -17.767  -3.521  -2.207
  883   1HB   PRO 118          HB2       PRO 118 -19.288  -4.147  -4.280
  884   2HB   PRO 118          HB1       PRO 118 -17.776  -5.019  -3.996
  885   1HG   PRO 118          HG2       PRO 118 -20.583  -5.886  -3.540
  886   2HG   PRO 118          HG1       PRO 118 -19.169  -6.853  -3.992
  887   1HD   PRO 118          HD2       PRO 118 -20.266  -6.479  -1.380
  888   2HD   PRO 118          HD1       PRO 118 -18.792  -7.369  -1.816
  889    H    LEU 119           HN       LEU 119 -19.956  -2.692  -3.811
  890    HA   LEU 119           HA       LEU 119 -21.404  -0.968  -2.244
  891   1HB   LEU 119          HB2       LEU 119 -22.567  -2.216  -4.709
  892   2HB   LEU 119          HB1       LEU 119 -22.705  -0.569  -4.136
  893    HG   LEU 119           HG       LEU 119 -20.276  -1.845  -5.383
  894   1HD1  LEU 119          HD11      LEU 119 -20.582  -0.296  -7.139
  895   2HD1  LEU 119          HD12      LEU 119 -21.860   0.541  -6.259
  896   3HD1  LEU 119          HD13      LEU 119 -22.131  -1.094  -6.864
  897   1HD2  LEU 119          HD21      LEU 119 -19.593  -0.426  -3.530
  898   2HD2  LEU 119          HD22      LEU 119 -20.578   0.893  -4.171
  899   3HD2  LEU 119          HD23      LEU 119 -19.182   0.314  -5.079
  900    HA   PRO 120           HA       PRO 120 -24.158  -3.819  -0.107
  901   1HB   PRO 120          HB2       PRO 120 -25.322  -1.378   1.025
  902   2HB   PRO 120          HB1       PRO 120 -24.498  -2.707   1.845
  903   1HG   PRO 120          HG2       PRO 120 -23.385  -0.266   1.604
  904   2HG   PRO 120          HG1       PRO 120 -22.417  -1.752   1.587
  905   1HD   PRO 120          HD2       PRO 120 -23.311  -0.046  -0.711
  906   2HD   PRO 120          HD1       PRO 120 -21.734  -0.814  -0.425
  907    H    GLN 121           HN       GLN 121 -26.710  -3.062   0.620
  908    HA   GLN 121           HA       GLN 121 -28.006  -2.674  -1.997
  909   1HB   GLN 121          HB2       GLN 121 -28.223  -4.884  -0.599
  910   2HB   GLN 121          HB1       GLN 121 -29.378  -3.951   0.338
  911   1HG   GLN 121          HG2       GLN 121 -30.726  -3.566  -1.626
  912   2HG   GLN 121          HG1       GLN 121 -29.541  -4.397  -2.633
  913   1HE2  GLN 121          HE21      GLN 121 -32.037  -4.761  -0.247
  914   2HE2  GLN 121          HE22      GLN 121 -32.232  -6.469  -0.414
  915    H    CYS 122           HN       CYS 122 -28.989  -0.764  -2.241
  916    HA   CYS 122           HA       CYS 122 -29.909   0.631   0.176
  917   1HB   CYS 122          HB2       CYS 122 -29.260   1.642  -2.595
  918   2HB   CYS 122          HB1       CYS 122 -30.045   2.634  -1.371
  919    H    GLU 123           HN       GLU 123 -31.976   0.214   0.640
  920    HA   GLU 123           HA       GLU 123 -33.926   0.227  -1.569
  921   1HB   GLU 123          HB2       GLU 123 -33.489  -2.086  -0.727
  922   2HB   GLU 123          HB1       GLU 123 -34.026  -1.564   0.864
  923   1HG   GLU 123          HG2       GLU 123 -35.791  -2.742  -0.301
  924   2HG   GLU 123          HG1       GLU 123 -36.233  -1.055  -0.039
  925    H    ILE 124           HN       ILE 124 -35.940   1.044  -1.128
  926    HA   ILE 124           HA       ILE 124 -35.984   3.301   0.545
  927    HB   ILE 124           HB       ILE 124 -37.387   3.091  -1.458
  928   1HG1  ILE 124          HG12      ILE 124 -39.594   3.817  -0.340
  929   2HG1  ILE 124          HG11      ILE 124 -38.741   3.591   1.183
  930   1HG2  ILE 124          HG21      ILE 124 -38.931   1.065   0.152
  931   2HG2  ILE 124          HG22      ILE 124 -37.968   0.746  -1.291
  932   3HG2  ILE 124          HG23      ILE 124 -39.427   1.730  -1.403
  933   1HD1  ILE 124          HD11      ILE 124 -37.956   5.472  -1.029
  934   2HD1  ILE 124          HD12      ILE 124 -37.065   5.228   0.473
  935   3HD1  ILE 124          HD13      ILE 124 -38.692   5.909   0.513
  936    H    LEU 125           HN       LEU 125 -37.106   3.719   2.460
  937    HA   LEU 125           HA       LEU 125 -37.060   1.648   4.388
  938   1HB   LEU 125          HB2       LEU 125 -38.258   4.416   4.482
  939   2HB   LEU 125          HB1       LEU 125 -38.109   3.358   5.872
  940    HG   LEU 125           HG       LEU 125 -35.711   4.211   4.265
  941   1HD1  LEU 125          HD11      LEU 125 -36.828   6.237   5.017
  942   2HD1  LEU 125          HD12      LEU 125 -35.347   5.965   5.936
  943   3HD1  LEU 125          HD13      LEU 125 -36.913   5.598   6.659
  944   1HD2  LEU 125          HD21      LEU 125 -35.554   2.259   5.808
  945   2HD2  LEU 125          HD22      LEU 125 -35.965   3.342   7.139
  946   3HD2  LEU 125          HD23      LEU 125 -34.481   3.597   6.221
  947    H    GLU 126           HN       GLU 126 -39.748   3.447   2.903
  948    HA   GLU 126           HA       GLU 126 -41.560   1.292   3.769
  949   1HB   GLU 126          HB2       GLU 126 -43.374   2.992   3.551
  950   2HB   GLU 126          HB1       GLU 126 -42.189   3.373   4.794
  951   1HG   GLU 126          HG2       GLU 126 -41.119   4.973   3.333
  952   2HG   GLU 126          HG1       GLU 126 -42.216   4.544   2.020
  953    H    HIS 127           HN       HIS 127 -43.451   0.951   2.302
  954    HA   HIS 127           HA       HIS 127 -42.942   1.591  -0.498
  955   1HB   HIS 127          HB2       HIS 127 -43.266  -0.784  -1.166
  956   2HB   HIS 127          HB1       HIS 127 -41.794  -0.521  -0.239
  957    HD1  HIS 127           HD1      HIS 127 -41.627  -1.631   2.065
  958    HD2  HIS 127           HD2      HIS 127 -45.248  -2.306   0.141
  959    HE1  HIS 127           HE1      HIS 127 -42.753  -3.458   3.375
  960    HE2  HIS 127           HE2      HIS 127 -44.974  -3.800   2.233
  961    H    HIS 128           HN       HIS 128 -45.005   1.360   2.048
  962    HA   HIS 128           HA       HIS 128 -47.387   0.422   0.842
  963   1HB   HIS 128          HB2       HIS 128 -47.088   2.361   3.146
  964   2HB   HIS 128          HB1       HIS 128 -48.527   1.428   2.750
  965    HD1  HIS 128           HD1      HIS 128 -45.139   1.112   4.292
  966    HD2  HIS 128           HD2      HIS 128 -48.464  -1.262   3.530
  967    HE1  HIS 128           HE1      HIS 128 -44.780  -0.993   5.620
  968    HE2  HIS 128           HE2      HIS 128 -46.846  -2.377   5.212
  969    H    HIS 129           HN       HIS 129 -45.662   3.386   0.665
  970    HA   HIS 129           HA       HIS 129 -47.940   4.880  -0.360
  971   1HB   HIS 129          HB2       HIS 129 -46.421   6.061   1.122
  972   2HB   HIS 129          HB1       HIS 129 -45.053   5.669   0.086
  973    HD1  HIS 129           HD1      HIS 129 -48.352   7.545  -0.238
  974    HD2  HIS 129           HD2      HIS 129 -44.436   7.665  -1.621
  975    HE1  HIS 129           HE1      HIS 129 -48.203   9.618  -1.656
  976    HE2  HIS 129           HE2      HIS 129 -45.843   9.632  -2.539
  977    H    HIS 130           HN       HIS 130 -48.226   5.478  -2.460
  978    HA   HIS 130           HA       HIS 130 -46.509   4.133  -4.420
  979   1HB   HIS 130          HB2       HIS 130 -49.257   5.334  -4.812
  980   2HB   HIS 130          HB1       HIS 130 -48.369   4.351  -5.973
  981    HD1  HIS 130           HD1      HIS 130 -48.510   1.833  -5.724
  982    HD2  HIS 130           HD2      HIS 130 -50.278   3.883  -2.572
  983    HE1  HIS 130           HE1      HIS 130 -49.742   0.090  -4.394
  984    HE2  HIS 130           HE2      HIS 130 -50.731   1.341  -2.443
  985    H    HIS 131           HN       HIS 131 -45.853   5.236  -6.338
  986    HA   HIS 131           HA       HIS 131 -44.689   7.714  -5.940
  987   1HB   HIS 131          HB2       HIS 131 -45.516   6.547  -8.605
  988   2HB   HIS 131          HB1       HIS 131 -44.264   7.754  -8.334
  989    HD1  HIS 131           HD1      HIS 131 -44.745   4.193  -8.680
  990    HD2  HIS 131           HD2      HIS 131 -42.027   6.660  -6.733
  991    HE1  HIS 131           HE1      HIS 131 -42.752   2.741  -8.189
  992    HE2  HIS 131           HE2      HIS 131 -41.086   4.277  -7.090
  993    H    HIS 132           HN       HIS 132 -45.128   9.796  -6.840
  994    HA   HIS 132           HA       HIS 132 -47.935  10.283  -7.555
  995   1HB   HIS 132          HB2       HIS 132 -47.609  10.807  -5.152
  996   2HB   HIS 132          HB1       HIS 132 -46.348  11.953  -5.593
  997    HD1  HIS 132           HD1      HIS 132 -50.071  11.428  -5.993
  998    HD2  HIS 132           HD2      HIS 132 -47.239  14.456  -6.254
  999    HE1  HIS 132           HE1      HIS 132 -51.384  13.554  -6.275
 1000    HE2  HIS 132           HE2      HIS 132 -49.652  15.382  -6.352
  Start of MODEL    6
    1   1H    MET   0           HT1      MET   0  34.962  -3.209   0.879
    2   2H    MET   0           HT2      MET   0  35.415  -2.090   2.062
    3   3H    MET   0           HT3      MET   0  36.565  -2.675   0.969
    4    HA   MET   0           HA       MET   0  35.806  -0.406   0.466
    5   1HB   MET   0          HB2       MET   0  35.521  -0.776  -1.913
    6   2HB   MET   0          HB1       MET   0  36.717  -1.898  -1.280
    7   1HG   MET   0          HG2       MET   0  33.835  -2.606  -1.771
    8   2HG   MET   0          HG1       MET   0  35.137  -2.881  -2.926
    9   1HE   MET   0          HE1       MET   0  37.533  -3.721  -0.803
   10   2HE   MET   0          HE2       MET   0  37.238  -4.374  -2.414
   11   3HE   MET   0          HE3       MET   0  37.383  -5.463  -1.035
   12    H    ASN   1           HN       ASN   1  34.113   0.855  -0.608
   13    HA   ASN   1           HA       ASN   1  31.563   0.348   0.625
   14   1HB   ASN   1          HB2       ASN   1  32.710   2.592  -1.005
   15   2HB   ASN   1          HB1       ASN   1  30.976   2.512  -0.703
   16   1HD2  ASN   1          HD21      ASN   1  30.795   4.242   0.615
   17   2HD2  ASN   1          HD22      ASN   1  31.522   4.348   2.176
   18    H    CYS   2           HN       CYS   2  29.525   0.605  -0.643
   19    HA   CYS   2           HA       CYS   2  29.591  -1.199  -2.916
   20   1HB   CYS   2          HB2       CYS   2  27.407  -0.044  -1.201
   21   2HB   CYS   2          HB1       CYS   2  27.024  -0.819  -2.734
   22    H    GLY   3           HN       GLY   3  27.886  -0.608  -4.686
   23   1HA   GLY   3          HA2       GLY   3  28.763   1.917  -5.825
   24   2HA   GLY   3          HA1       GLY   3  27.789   0.692  -6.628
   25    HA   PRO   4           HA       PRO   4  25.412   4.662  -5.002
   26   1HB   PRO   4          HB2       PRO   4  24.758   4.461  -7.920
   27   2HB   PRO   4          HB1       PRO   4  24.862   5.895  -6.894
   28   1HG   PRO   4          HG2       PRO   4  26.862   5.267  -8.535
   29   2HG   PRO   4          HG1       PRO   4  27.188   5.899  -6.911
   30   1HD   PRO   4          HD2       PRO   4  27.489   3.136  -7.961
   31   2HD   PRO   4          HD1       PRO   4  28.385   3.960  -6.670
   32    HA   PRO   5           HA       PRO   5  22.159   1.682  -4.375
   33   1HB   PRO   5          HB2       PRO   5  20.339   3.476  -3.341
   34   2HB   PRO   5          HB1       PRO   5  21.611   2.682  -2.409
   35   1HG   PRO   5          HG2       PRO   5  21.562   5.421  -3.604
   36   2HG   PRO   5          HG1       PRO   5  22.194   4.893  -2.033
   37   1HD   PRO   5          HD2       PRO   5  23.820   5.391  -4.109
   38   2HD   PRO   5          HD1       PRO   5  24.160   4.086  -2.955
   39    HA   PRO   6           HA       PRO   6  20.037   2.248  -8.300
   40   1HB   PRO   6          HB2       PRO   6  18.289   0.139  -7.735
   41   2HB   PRO   6          HB1       PRO   6  19.818   0.003  -8.603
   42   1HG   PRO   6          HG2       PRO   6  19.182  -0.577  -5.754
   43   2HG   PRO   6          HG1       PRO   6  20.323  -1.389  -6.842
   44   1HD   PRO   6          HD2       PRO   6  21.163   0.287  -4.929
   45   2HD   PRO   6          HD1       PRO   6  21.971   0.199  -6.507
   46    H    THR   7           HN       THR   7  17.665   2.081  -8.863
   47    HA   THR   7           HA       THR   7  16.164   3.798  -7.024
   48    HB   THR   7           HB       THR   7  15.526   3.114  -9.908
   49    HG1  THR   7           HG1      THR   7  16.367   5.674  -9.232
   50   1HG2  THR   7          HG21      THR   7  13.967   4.953  -9.805
   51   2HG2  THR   7          HG22      THR   7  14.467   5.336  -8.157
   52   3HG2  THR   7          HG23      THR   7  13.608   3.832  -8.491
   53    H    LEU   8           HN       LEU   8  14.467   3.003  -5.922
   54    HA   LEU   8           HA       LEU   8  13.591   0.282  -6.576
   55   1HB   LEU   8          HB2       LEU   8  13.207   1.794  -3.995
   56   2HB   LEU   8          HB1       LEU   8  12.901   0.091  -4.275
   57    HG   LEU   8           HG       LEU   8  15.400  -0.118  -4.761
   58   1HD1  LEU   8          HD11      LEU   8  16.794   1.605  -3.618
   59   2HD1  LEU   8          HD12      LEU   8  15.354   2.619  -3.512
   60   3HD1  LEU   8          HD13      LEU   8  16.001   2.164  -5.090
   61   1HD2  LEU   8          HD21      LEU   8  15.944  -0.364  -2.428
   62   2HD2  LEU   8          HD22      LEU   8  14.283  -0.891  -2.692
   63   3HD2  LEU   8          HD23      LEU   8  14.602   0.684  -1.968
   64    H    SER   9           HN       SER   9  11.805   0.314  -7.820
   65    HA   SER   9           HA       SER   9   9.937   2.430  -7.841
   66   1HB   SER   9          HB2       SER   9   8.567   0.943  -9.247
   67   2HB   SER   9          HB1       SER   9  10.252   0.919  -9.765
   68    HG   SER   9           HG       SER   9  10.262  -0.994  -8.158
   69    H    PHE  10           HN       PHE  10  10.415  -0.170  -5.719
   70    HA   PHE  10           HA       PHE  10   7.656  -0.160  -4.788
   71   1HB   PHE  10          HB2       PHE  10   8.517  -1.917  -3.165
   72   2HB   PHE  10          HB1       PHE  10   8.533  -2.352  -4.869
   73    HD1  PHE  10           HD1      PHE  10  10.509  -1.818  -1.901
   74    HD2  PHE  10           HD2      PHE  10  10.671  -2.363  -6.118
   75    HE1  PHE  10           HE1      PHE  10  12.893  -2.397  -1.731
   76    HE2  PHE  10           HE2      PHE  10  13.056  -2.941  -5.957
   77    HZ   PHE  10           HZ       PHE  10  14.172  -2.956  -3.762
   78    H    ALA  11           HN       ALA  11  10.406   1.611  -4.289
   79    HA   ALA  11           HA       ALA  11   9.289   2.697  -1.825
   80   1HB   ALA  11          HB1       ALA  11  10.964   1.060  -1.098
   81   2HB   ALA  11          HB2       ALA  11  11.449   2.706  -0.693
   82   3HB   ALA  11          HB3       ALA  11  12.186   1.884  -2.067
   83    H    ALA  12           HN       ALA  12  11.414   4.387  -1.240
   84    HA   ALA  12           HA       ALA  12  12.140   5.996  -3.423
   85   1HB   ALA  12          HB1       ALA  12  10.710   7.943  -3.067
   86   2HB   ALA  12          HB2       ALA  12   9.816   7.071  -1.821
   87   3HB   ALA  12          HB3       ALA  12   9.748   6.529  -3.499
   88    HA   PRO  13           HA       PRO  13  15.144   7.315  -0.452
   89   1HB   PRO  13          HB2       PRO  13  14.767  10.001  -1.706
   90   2HB   PRO  13          HB1       PRO  13  16.259   9.114  -1.377
   91   1HG   PRO  13          HG2       PRO  13  15.262   9.242  -3.847
   92   2HG   PRO  13          HG1       PRO  13  16.020   7.757  -3.242
   93   1HD   PRO  13          HD2       PRO  13  13.142   8.377  -3.672
   94   2HD   PRO  13          HD1       PRO  13  13.996   6.827  -3.803
   95    H    MET  14           HN       MET  14  15.151   8.253   1.566
   96    HA   MET  14           HA       MET  14  12.949  10.071   2.218
   97   1HB   MET  14          HB2       MET  14  12.295   7.755   2.827
   98   2HB   MET  14          HB1       MET  14  13.691   7.673   3.893
   99   1HG   MET  14          HG2       MET  14  12.784   9.532   5.207
  100   2HG   MET  14          HG1       MET  14  11.374   9.576   4.151
  101   1HE   MET  14          HE1       MET  14   9.688   9.336   6.135
  102   2HE   MET  14          HE2       MET  14  11.039   9.375   7.267
  103   3HE   MET  14          HE3       MET  14   9.815   8.112   7.397
  104    H    ASP  15           HN       ASP  15  16.126   8.841   2.979
  105    HA   ASP  15           HA       ASP  15  16.874  11.360   4.128
  106   1HB   ASP  15          HB2       ASP  15  15.686  10.082   5.996
  107   2HB   ASP  15          HB1       ASP  15  17.063   8.986   5.976
  108    H    ILE  16           HN       ILE  16  17.621   8.929   2.238
  109    HA   ILE  16           HA       ILE  16  20.221   8.168   3.069
  110    HB   ILE  16           HB       ILE  16  20.078   6.720   1.386
  111   1HG1  ILE  16          HG12      ILE  16  19.570   8.971  -0.568
  112   2HG1  ILE  16          HG11      ILE  16  21.173   8.506  -0.008
  113   1HG2  ILE  16          HG21      ILE  16  18.025   6.412   0.242
  114   2HG2  ILE  16          HG22      ILE  16  17.593   8.111   0.435
  115   3HG2  ILE  16          HG23      ILE  16  17.642   7.047   1.842
  116   1HD1  ILE  16          HD11      ILE  16  19.305   6.623  -1.413
  117   2HD1  ILE  16          HD12      ILE  16  21.016   6.389  -1.058
  118   3HD1  ILE  16          HD13      ILE  16  20.517   7.603  -2.236
  119    H    THR  17           HN       THR  17  18.972  10.937   1.650
  120    HA   THR  17           HA       THR  17  19.838  12.789   0.653
  121    HB   THR  17           HB       THR  17  21.941  13.640   1.591
  122    HG1  THR  17           HG1      THR  17  22.200  11.708   3.511
  123   1HG2  THR  17          HG21      THR  17  19.929  14.131   2.799
  124   2HG2  THR  17          HG22      THR  17  21.180  13.727   3.977
  125   3HG2  THR  17          HG23      THR  17  19.941  12.542   3.563
  126    H    LEU  18           HN       LEU  18  20.174  12.541  -1.448
  127    HA   LEU  18           HA       LEU  18  22.194  10.841  -2.508
  128   1HB   LEU  18          HB2       LEU  18  20.111  12.660  -3.597
  129   2HB   LEU  18          HB1       LEU  18  21.408  12.148  -4.654
  130    HG   LEU  18           HG       LEU  18  19.458  10.708  -4.928
  131   1HD1  LEU  18          HD11      LEU  18  21.740   9.334  -3.515
  132   2HD1  LEU  18          HD12      LEU  18  21.649   9.707  -5.237
  133   3HD1  LEU  18          HD13      LEU  18  20.533   8.539  -4.528
  134   1HD2  LEU  18          HD21      LEU  18  19.801  10.182  -1.981
  135   2HD2  LEU  18          HD22      LEU  18  18.774   9.228  -3.052
  136   3HD2  LEU  18          HD23      LEU  18  18.417  10.934  -2.776
  137    H    THR  19           HN       THR  19  23.417  12.632  -0.844
  138    HA   THR  19           HA       THR  19  24.682  14.630  -2.575
  139    HB   THR  19           HB       THR  19  25.408  15.756  -0.629
  140    HG1  THR  19           HG1      THR  19  24.634  14.286   1.419
  141   1HG2  THR  19          HG21      THR  19  22.694  14.577  -0.011
  142   2HG2  THR  19          HG22      THR  19  23.007  15.997  -1.007
  143   3HG2  THR  19          HG23      THR  19  23.368  16.036   0.719
  144    H    GLU  20           HN       GLU  20  25.139  11.534  -1.351
  145    HA   GLU  20           HA       GLU  20  28.068  11.717  -1.524
  146   1HB   GLU  20          HB2       GLU  20  26.309   9.565  -0.334
  147   2HB   GLU  20          HB1       GLU  20  28.065   9.516  -0.385
  148   1HG   GLU  20          HG2       GLU  20  28.207  11.441   1.053
  149   2HG   GLU  20          HG1       GLU  20  26.454  11.636   1.017
  150    H    THR  21           HN       THR  21  28.738   9.145  -2.095
  151    HA   THR  21           HA       THR  21  27.378   8.451  -4.596
  152    HB   THR  21           HB       THR  21  29.785   8.052  -5.520
  153    HG1  THR  21           HG1      THR  21  31.350   9.258  -4.617
  154   1HG2  THR  21          HG21      THR  21  29.774  10.285  -6.531
  155   2HG2  THR  21          HG22      THR  21  28.609  10.829  -5.323
  156   3HG2  THR  21          HG23      THR  21  28.151   9.597  -6.498
  157    H    ARG  22           HN       ARG  22  29.616   7.578  -2.040
  158    HA   ARG  22           HA       ARG  22  29.163   4.745  -2.692
  159   1HB   ARG  22          HB2       ARG  22  31.668   6.022  -1.605
  160   2HB   ARG  22          HB1       ARG  22  31.394   4.287  -1.683
  161   1HG   ARG  22          HG2       ARG  22  31.212   4.416  -4.112
  162   2HG   ARG  22          HG1       ARG  22  31.470   6.160  -4.041
  163   1HD   ARG  22          HD2       ARG  22  33.432   4.091  -3.063
  164   2HD   ARG  22          HD1       ARG  22  33.506   4.876  -4.640
  165    HE   ARG  22           HE       ARG  22  33.421   6.781  -2.529
  166   1HH1  ARG  22          HH11      ARG  22  35.531   4.572  -4.205
  167   2HH1  ARG  22          HH12      ARG  22  36.968   5.474  -3.853
  168   1HH2  ARG  22          HH21      ARG  22  35.304   7.976  -2.062
  169   2HH2  ARG  22          HH22      ARG  22  36.838   7.410  -2.633
  170    H    PHE  23           HN       PHE  23  28.953   3.319  -0.912
  171    HA   PHE  23           HA       PHE  23  28.638   4.522   1.744
  172   1HB   PHE  23          HB2       PHE  23  26.547   2.675   0.576
  173   2HB   PHE  23          HB1       PHE  23  26.451   3.611   2.060
  174    HD1  PHE  23           HD1      PHE  23  25.004   5.394   2.009
  175    HD2  PHE  23           HD2      PHE  23  27.025   4.291  -1.571
  176    HE1  PHE  23           HE1      PHE  23  23.835   7.190   0.794
  177    HE2  PHE  23           HE2      PHE  23  25.874   6.085  -2.783
  178    HZ   PHE  23           HZ       PHE  23  24.271   7.537  -1.604
  179    H    LYS  24           HN       LYS  24  29.857   3.315   3.106
  180    HA   LYS  24           HA       LYS  24  31.033   0.887   2.369
  181   1HB   LYS  24          HB2       LYS  24  31.524   0.677   4.886
  182   2HB   LYS  24          HB1       LYS  24  32.200   2.046   4.016
  183   1HG   LYS  24          HG2       LYS  24  30.459   3.493   4.883
  184   2HG   LYS  24          HG1       LYS  24  29.698   2.121   5.692
  185   1HD   LYS  24          HD2       LYS  24  31.718   1.813   7.050
  186   2HD   LYS  24          HD1       LYS  24  32.458   3.203   6.254
  187   1HE   LYS  24          HE2       LYS  24  29.927   3.266   7.891
  188   2HE   LYS  24          HE1       LYS  24  31.519   3.776   8.452
  189   1HZ   LYS  24          HZ1       LYS  24  31.510   5.424   6.611
  190   2HZ   LYS  24          HZ2       LYS  24  30.324   5.699   7.784
  191   3HZ   LYS  24          HZ3       LYS  24  29.898   5.012   6.297
  192    H    THR  25           HN       THR  25  30.931  -1.126   3.755
  193    HA   THR  25           HA       THR  25  28.381  -2.291   3.436
  194    HB   THR  25           HB       THR  25  29.495  -4.159   4.858
  195    HG1  THR  25           HG1      THR  25  31.460  -3.744   5.493
  196   1HG2  THR  25          HG21      THR  25  29.116  -4.321   2.449
  197   2HG2  THR  25          HG22      THR  25  30.691  -4.991   2.871
  198   3HG2  THR  25          HG23      THR  25  30.579  -3.385   2.148
  199    H    GLY  26           HN       GLY  26  29.631  -0.373   5.880
  200   1HA   GLY  26          HA2       GLY  26  27.827  -1.508   7.916
  201   2HA   GLY  26          HA1       GLY  26  29.185  -0.440   8.247
  202    H    THR  27           HN       THR  27  27.211   0.247   5.581
  203    HA   THR  27           HA       THR  27  26.163   2.633   6.946
  204    HB   THR  27           HB       THR  27  27.464   2.749   4.702
  205    HG1  THR  27           HG1      THR  27  25.697   4.275   5.808
  206   1HG2  THR  27          HG21      THR  27  24.779   2.363   3.460
  207   2HG2  THR  27          HG22      THR  27  25.780   0.947   3.789
  208   3HG2  THR  27          HG23      THR  27  26.387   2.229   2.741
  209    H    THR  28           HN       THR  28  23.938   3.299   6.474
  210    HA   THR  28           HA       THR  28  22.136   1.329   5.412
  211    HB   THR  28           HB       THR  28  22.075   1.997   8.363
  212    HG1  THR  28           HG1      THR  28  22.217  -0.492   6.980
  213   1HG2  THR  28          HG21      THR  28  20.016   0.529   6.711
  214   2HG2  THR  28          HG22      THR  28  19.806   2.104   7.478
  215   3HG2  THR  28          HG23      THR  28  20.014   0.661   8.470
  216    H    LEU  29           HN       LEU  29  20.617   2.339   4.357
  217    HA   LEU  29           HA       LEU  29  20.275   5.187   4.709
  218   1HB   LEU  29          HB2       LEU  29  19.104   3.279   2.683
  219   2HB   LEU  29          HB1       LEU  29  18.934   5.021   2.640
  220    HG   LEU  29           HG       LEU  29  21.422   5.201   2.412
  221   1HD1  LEU  29          HD11      LEU  29  22.543   3.086   1.575
  222   2HD1  LEU  29          HD12      LEU  29  21.182   2.209   2.274
  223   3HD1  LEU  29          HD13      LEU  29  22.230   3.179   3.308
  224   1HD2  LEU  29          HD21      LEU  29  21.441   4.767   0.093
  225   2HD2  LEU  29          HD22      LEU  29  19.777   5.190   0.494
  226   3HD2  LEU  29          HD23      LEU  29  20.222   3.502   0.244
  227    H    LYS  30           HN       LYS  30  17.477   4.687   3.445
  228    HA   LYS  30           HA       LYS  30  15.974   3.834   5.786
  229   1HB   LYS  30          HB2       LYS  30  16.503   6.401   5.790
  230   2HB   LYS  30          HB1       LYS  30  15.244   6.471   4.564
  231   1HG   LYS  30          HG2       LYS  30  14.222   6.946   6.642
  232   2HG   LYS  30          HG1       LYS  30  13.728   5.312   6.192
  233   1HD   LYS  30          HD2       LYS  30  15.497   4.409   7.662
  234   2HD   LYS  30          HD1       LYS  30  15.897   6.056   8.155
  235   1HE   LYS  30          HE2       LYS  30  13.605   6.333   9.009
  236   2HE   LYS  30          HE1       LYS  30  13.254   4.663   8.563
  237   1HZ   LYS  30          HZ1       LYS  30  15.059   3.976  10.078
  238   2HZ   LYS  30          HZ2       LYS  30  13.788   4.755  10.877
  239   3HZ   LYS  30          HZ3       LYS  30  15.232   5.584  10.576
  240    H    TYR  31           HN       TYR  31  14.980   5.817   3.031
  241    HA   TYR  31           HA       TYR  31  13.576   5.450   1.291
  242   1HB   TYR  31          HB2       TYR  31  14.639   2.680   1.728
  243   2HB   TYR  31          HB1       TYR  31  13.370   2.969   0.542
  244    HD1  TYR  31           HD1      TYR  31  16.880   3.040   1.171
  245    HD2  TYR  31           HD2      TYR  31  13.831   4.716  -1.276
  246    HE1  TYR  31           HE1      TYR  31  18.576   3.713  -0.476
  247    HE2  TYR  31           HE2      TYR  31  15.520   5.394  -2.929
  248    HH   TYR  31           HH       TYR  31  18.781   4.297  -2.776
  249    H    THR  32           HN       THR  32  11.445   5.357   1.047
  250    HA   THR  32           HA       THR  32   9.873   3.824   3.012
  251    HB   THR  32           HB       THR  32   9.538   6.042   3.676
  252    HG1  THR  32           HG1      THR  32   7.467   5.618   3.580
  253   1HG2  THR  32          HG21      THR  32   8.922   7.822   1.942
  254   2HG2  THR  32          HG22      THR  32   9.543   6.688   0.740
  255   3HG2  THR  32          HG23      THR  32  10.607   7.303   2.007
  256    H    CYS  33           HN       CYS  33   7.851   2.997   2.290
  257    HA   CYS  33           HA       CYS  33   7.821   2.463  -0.579
  258   1HB   CYS  33          HB2       CYS  33   6.389   1.179   1.749
  259   2HB   CYS  33          HB1       CYS  33   6.055   0.758   0.073
  260    H    LEU  34           HN       LEU  34   6.571   3.363  -1.888
  261    HA   LEU  34           HA       LEU  34   4.974   5.543  -1.571
  262   1HB   LEU  34          HB2       LEU  34   4.476   3.382  -3.616
  263   2HB   LEU  34          HB1       LEU  34   4.033   5.073  -3.753
  264    HG   LEU  34           HG       LEU  34   6.901   4.164  -3.522
  265   1HD1  LEU  34          HD11      LEU  34   7.101   4.163  -5.869
  266   2HD1  LEU  34          HD12      LEU  34   5.495   4.856  -6.087
  267   3HD1  LEU  34          HD13      LEU  34   5.667   3.196  -5.518
  268   1HD2  LEU  34          HD21      LEU  34   5.580   6.726  -4.400
  269   2HD2  LEU  34          HD22      LEU  34   7.298   6.378  -4.588
  270   3HD2  LEU  34          HD23      LEU  34   6.589   6.474  -2.975
  271    HA   PRO  35           HA       PRO  35   1.035   4.355   0.035
  272   1HB   PRO  35          HB2       PRO  35  -0.779   5.634  -1.517
  273   2HB   PRO  35          HB1       PRO  35   0.266   6.482  -0.372
  274   1HG   PRO  35          HG2       PRO  35   0.561   6.165  -3.334
  275   2HG   PRO  35          HG1       PRO  35   0.817   7.606  -2.333
  276   1HD   PRO  35          HD2       PRO  35   2.855   6.049  -3.221
  277   2HD   PRO  35          HD1       PRO  35   2.921   6.937  -1.686
  278    H    GLY  36           HN       GLY  36   0.628   2.202  -0.203
  279   1HA   GLY  36          HA2       GLY  36  -1.416   1.153  -1.560
  280   2HA   GLY  36          HA1       GLY  36  -0.193   1.199  -2.815
  281    H    TYR  37           HN       TYR  37   1.696   0.661  -0.296
  282    HA   TYR  37           HA       TYR  37   1.658  -2.216  -0.718
  283   1HB   TYR  37          HB2       TYR  37   3.559  -0.636   1.025
  284   2HB   TYR  37          HB1       TYR  37   3.789  -2.264   0.399
  285    HD1  TYR  37           HD1      TYR  37   3.300   1.231  -0.780
  286    HD2  TYR  37           HD2      TYR  37   5.064  -2.556  -1.531
  287    HE1  TYR  37           HE1      TYR  37   4.492   2.178  -2.702
  288    HE2  TYR  37           HE2      TYR  37   6.266  -1.620  -3.464
  289    HH   TYR  37           HH       TYR  37   6.068   0.259  -5.017
  290    H    VAL  38           HN       VAL  38   1.465  -3.736   0.983
  291    HA   VAL  38           HA       VAL  38   0.365  -2.786   3.536
  292    HB   VAL  38           HB       VAL  38  -1.370  -4.526   3.414
  293   1HG1  VAL  38          HG11      VAL  38  -1.386  -2.723   0.993
  294   2HG1  VAL  38          HG12      VAL  38  -1.943  -2.286   2.611
  295   3HG1  VAL  38          HG13      VAL  38  -2.790  -3.530   1.690
  296   1HG2  VAL  38          HG21      VAL  38  -1.758  -5.588   1.158
  297   2HG2  VAL  38          HG22      VAL  38  -0.361  -6.168   2.064
  298   3HG2  VAL  38          HG23      VAL  38  -0.137  -5.040   0.727
  299    H    ARG  39           HN       ARG  39  -0.307  -5.666   3.961
  300    HA   ARG  39           HA       ARG  39   1.502  -6.620   5.608
  301   1HB   ARG  39          HB2       ARG  39   0.218  -8.337   3.492
  302   2HB   ARG  39          HB1       ARG  39   0.866  -8.904   5.024
  303   1HG   ARG  39          HG2       ARG  39  -1.433  -6.984   4.727
  304   2HG   ARG  39          HG1       ARG  39  -1.584  -8.717   5.026
  305   1HD   ARG  39          HD2       ARG  39  -0.320  -6.659   6.829
  306   2HD   ARG  39          HD1       ARG  39  -1.819  -7.545   7.110
  307    HE   ARG  39           HE       ARG  39   0.436  -9.273   6.775
  308   1HH1  ARG  39          HH11      ARG  39  -1.286  -7.280   9.056
  309   2HH1  ARG  39          HH12      ARG  39  -0.720  -8.152  10.442
  310   1HH2  ARG  39          HH21      ARG  39   1.188 -10.426   8.591
  311   2HH2  ARG  39          HH22      ARG  39   0.687  -9.942  10.177
  312    H    SER  40           HN       SER  40   3.645  -6.104   5.237
  313    HA   SER  40           HA       SER  40   5.225  -8.032   3.962
  314   1HB   SER  40          HB2       SER  40   4.344  -6.878   1.918
  315   2HB   SER  40          HB1       SER  40   5.149  -5.407   2.465
  316    HG   SER  40           HG       SER  40   6.569  -7.828   2.178
  317    H    HIS  41           HN       HIS  41   4.742  -5.391   5.898
  318    HA   HIS  41           HA       HIS  41   7.230  -4.134   6.007
  319   1HB   HIS  41          HB2       HIS  41   6.570  -3.619   8.418
  320   2HB   HIS  41          HB1       HIS  41   5.477  -3.070   7.155
  321    HD1  HIS  41           HD1      HIS  41   3.111  -3.972   7.193
  322    HD2  HIS  41           HD2      HIS  41   5.613  -5.860   9.921
  323    HE1  HIS  41           HE1      HIS  41   1.600  -5.375   8.632
  324    HE2  HIS  41           HE2      HIS  41   3.146  -6.573  10.220
  325    H    SER  42           HN       SER  42   9.131  -4.643   6.797
  326    HA   SER  42           HA       SER  42   9.642  -6.369   8.958
  327   1HB   SER  42          HB2       SER  42   9.006  -8.178   7.477
  328   2HB   SER  42          HB1       SER  42  10.049  -7.551   6.201
  329    HG   SER  42           HG       SER  42  10.807  -8.708   8.669
  330    H    THR  43           HN       THR  43  10.444  -4.258   6.522
  331    HA   THR  43           HA       THR  43  13.002  -3.652   7.679
  332    HB   THR  43           HB       THR  43  13.076  -4.392   4.759
  333    HG1  THR  43           HG1      THR  43  13.269  -6.427   5.291
  334   1HG2  THR  43          HG21      THR  43  15.524  -4.575   5.273
  335   2HG2  THR  43          HG22      THR  43  15.173  -3.923   6.874
  336   3HG2  THR  43          HG23      THR  43  14.859  -2.950   5.437
  337    H    GLN  44           HN       GLN  44  13.939  -1.688   6.742
  338    HA   GLN  44           HA       GLN  44  12.387  -0.209   4.817
  339   1HB   GLN  44          HB2       GLN  44  11.153   0.124   6.973
  340   2HB   GLN  44          HB1       GLN  44  12.599   0.879   7.629
  341   1HG   GLN  44          HG2       GLN  44  12.470   2.642   5.979
  342   2HG   GLN  44          HG1       GLN  44  11.077   1.866   5.227
  343   1HE2  GLN  44          HE21      GLN  44  12.228   3.698   7.938
  344   2HE2  GLN  44          HE22      GLN  44  10.677   4.123   8.572
  345    H    THR  45           HN       THR  45  14.813  -0.888   4.290
  346    HA   THR  45           HA       THR  45  16.259   1.329   3.673
  347    HB   THR  45           HB       THR  45  16.597   1.932   5.966
  348    HG1  THR  45           HG1      THR  45  18.453   2.024   4.522
  349   1HG2  THR  45          HG21      THR  45  17.610   0.443   7.602
  350   2HG2  THR  45          HG22      THR  45  17.706  -0.844   6.399
  351   3HG2  THR  45          HG23      THR  45  16.133  -0.275   6.958
  352    H    LEU  46           HN       LEU  46  18.410   0.881   2.848
  353    HA   LEU  46           HA       LEU  46  18.868  -1.995   2.433
  354   1HB   LEU  46          HB2       LEU  46  20.289  -0.110   0.681
  355   2HB   LEU  46          HB1       LEU  46  19.429  -1.583   0.280
  356    HG   LEU  46           HG       LEU  46  18.062   1.034   0.869
  357   1HD1  LEU  46          HD11      LEU  46  19.568   1.067  -1.173
  358   2HD1  LEU  46          HD12      LEU  46  17.868   1.437  -1.460
  359   3HD1  LEU  46          HD13      LEU  46  18.503  -0.158  -1.864
  360   1HD2  LEU  46          HD21      LEU  46  16.637  -0.864   1.235
  361   2HD2  LEU  46          HD22      LEU  46  17.072  -1.532  -0.338
  362   3HD2  LEU  46          HD23      LEU  46  16.148  -0.034  -0.242
  363    H    THR  47           HN       THR  47  21.010  -2.790   2.527
  364    HA   THR  47           HA       THR  47  22.953  -1.032   3.891
  365    HB   THR  47           HB       THR  47  22.699  -3.989   4.444
  366    HG1  THR  47           HG1      THR  47  21.691  -1.855   6.048
  367   1HG2  THR  47          HG21      THR  47  23.977  -3.369   6.483
  368   2HG2  THR  47          HG22      THR  47  24.116  -1.727   5.854
  369   3HG2  THR  47          HG23      THR  47  24.858  -3.071   4.986
  370    H    CYS  48           HN       CYS  48  25.222  -1.566   3.511
  371    HA   CYS  48           HA       CYS  48  25.549  -2.667   0.863
  372   1HB   CYS  48          HB2       CYS  48  26.781  -0.604   1.376
  373   2HB   CYS  48          HB1       CYS  48  27.544  -1.376   2.750
  374    H    ASN  49           HN       ASN  49  25.809  -4.749   0.622
  375    HA   ASN  49           HA       ASN  49  26.948  -6.347   2.777
  376   1HB   ASN  49          HB2       ASN  49  26.237  -8.262   1.210
  377   2HB   ASN  49          HB1       ASN  49  24.954  -7.304   1.947
  378   1HD2  ASN  49          HD21      ASN  49  23.951  -5.664   0.668
  379   2HD2  ASN  49          HD22      ASN  49  23.883  -5.832  -1.050
  380    H    SER  50           HN       SER  50  28.289  -8.336   1.749
  381    HA   SER  50           HA       SER  50  30.556  -7.050   0.440
  382   1HB   SER  50          HB2       SER  50  31.007  -8.484   2.377
  383   2HB   SER  50          HB1       SER  50  30.254  -9.854   1.557
  384    HG   SER  50           HG       SER  50  32.434  -8.464   0.423
  385    H    ASP  51           HN       ASP  51  28.844  -6.882  -1.349
  386    HA   ASP  51           HA       ASP  51  29.433  -8.864  -3.438
  387   1HB   ASP  51          HB2       ASP  51  27.208  -9.350  -2.120
  388   2HB   ASP  51          HB1       ASP  51  26.606  -7.992  -3.068
  389    H    GLY  52           HN       GLY  52  29.445  -5.798  -2.434
  390   1HA   GLY  52          HA2       GLY  52  29.490  -3.759  -3.478
  391   2HA   GLY  52          HA1       GLY  52  29.771  -4.654  -4.963
  392    H    GLU  53           HN       GLU  53  26.999  -5.520  -3.333
  393    HA   GLU  53           HA       GLU  53  25.305  -3.702  -4.920
  394   1HB   GLU  53          HB2       GLU  53  23.859  -5.430  -5.515
  395   2HB   GLU  53          HB1       GLU  53  25.439  -6.188  -5.638
  396   1HG   GLU  53          HG2       GLU  53  25.123  -7.191  -3.425
  397   2HG   GLU  53          HG1       GLU  53  23.530  -6.443  -3.324
  398    H    TRP  54           HN       TRP  54  23.002  -3.645  -4.038
  399    HA   TRP  54           HA       TRP  54  23.140  -3.292  -1.150
  400   1HB   TRP  54          HB2       TRP  54  21.288  -2.251  -3.292
  401   2HB   TRP  54          HB1       TRP  54  20.973  -2.038  -1.576
  402    HD1  TRP  54           HD1      TRP  54  22.888  -0.550  -4.424
  403    HE1  TRP  54           HE1      TRP  54  24.319   1.418  -3.579
  404    HE3  TRP  54           HE3      TRP  54  22.404  -1.311   0.581
  405    HZ2  TRP  54           HZ2      TRP  54  25.142   2.502  -1.102
  406    HZ3  TRP  54           HZ3      TRP  54  23.538   0.230   2.136
  407    HH2  TRP  54           HH2      TRP  54  24.878   2.094   1.307
  408    H    VAL  55           HN       VAL  55  22.378  -4.821   0.076
  409    HA   VAL  55           HA       VAL  55  20.439  -6.759  -0.977
  410    HB   VAL  55           HB       VAL  55  22.666  -6.880   0.987
  411   1HG1  VAL  55          HG11      VAL  55  20.122  -8.434   1.409
  412   2HG1  VAL  55          HG12      VAL  55  20.797  -7.205   2.480
  413   3HG1  VAL  55          HG13      VAL  55  21.651  -8.728   2.239
  414   1HG2  VAL  55          HG21      VAL  55  21.380  -9.009  -0.707
  415   2HG2  VAL  55          HG22      VAL  55  22.939  -9.104   0.122
  416   3HG2  VAL  55          HG23      VAL  55  22.721  -7.983  -1.223
  417    H    TYR  56           HN       TYR  56  18.436  -6.944   0.088
  418    HA   TYR  56           HA       TYR  56  18.012  -5.928   2.662
  419   1HB   TYR  56          HB2       TYR  56  16.627  -3.877   2.022
  420   2HB   TYR  56          HB1       TYR  56  18.367  -3.746   1.799
  421    HD1  TYR  56           HD1      TYR  56  15.137  -4.090   0.072
  422    HD2  TYR  56           HD2      TYR  56  19.331  -3.556  -0.398
  423    HE1  TYR  56           HE1      TYR  56  14.791  -3.480  -2.284
  424    HE2  TYR  56           HE2      TYR  56  18.996  -2.943  -2.754
  425    HH   TYR  56           HH       TYR  56  17.369  -3.234  -4.519
  426    H    ASN  57           HN       ASN  57  17.034  -7.615   0.079
  427    HA   ASN  57           HA       ASN  57  15.179  -8.760  -0.574
  428   1HB   ASN  57          HB2       ASN  57  14.597  -8.487   2.377
  429   2HB   ASN  57          HB1       ASN  57  13.701  -9.542   1.289
  430   1HD2  ASN  57          HD21      ASN  57  14.702 -11.371   0.446
  431   2HD2  ASN  57          HD22      ASN  57  16.151 -12.018   1.130
  432    H    THR  58           HN       THR  58  12.591  -8.797  -0.159
  433    HA   THR  58           HA       THR  58  11.735  -6.089  -0.867
  434    HB   THR  58           HB       THR  58  10.012  -8.557  -1.020
  435    HG1  THR  58           HG1      THR  58  11.046  -9.179  -2.772
  436   1HG2  THR  58          HG21      THR  58  10.005  -5.839  -2.302
  437   2HG2  THR  58          HG22      THR  58   8.723  -6.630  -1.383
  438   3HG2  THR  58          HG23      THR  58   9.122  -7.193  -3.007
  439    H    PHE  59           HN       PHE  59  11.142  -4.896   0.825
  440    HA   PHE  59           HA       PHE  59   9.852  -6.175   3.109
  441   1HB   PHE  59          HB2       PHE  59  10.184  -3.835   4.125
  442   2HB   PHE  59          HB1       PHE  59  11.614  -4.821   3.828
  443    HD1  PHE  59           HD1      PHE  59  13.211  -4.231   2.141
  444    HD2  PHE  59           HD2      PHE  59   9.728  -1.869   2.766
  445    HE1  PHE  59           HE1      PHE  59  14.204  -2.422   0.801
  446    HE2  PHE  59           HE2      PHE  59  10.715  -0.056   1.425
  447    HZ   PHE  59           HZ       PHE  59  12.953  -0.333   0.439
  448    H    CYS  60           HN       CYS  60   8.693  -5.172   0.342
  449    HA   CYS  60           HA       CYS  60   6.134  -4.427   1.485
  450   1HB   CYS  60          HB2       CYS  60   7.541  -2.618  -0.493
  451   2HB   CYS  60          HB1       CYS  60   5.866  -2.455   0.020
  452    H    ILE  61           HN       ILE  61   4.510  -5.387   0.364
  453    HA   ILE  61           HA       ILE  61   5.226  -6.773  -2.103
  454    HB   ILE  61           HB       ILE  61   3.187  -8.061  -1.830
  455   1HG1  ILE  61          HG12      ILE  61   2.690  -6.561   0.742
  456   2HG1  ILE  61          HG11      ILE  61   1.907  -6.124  -0.772
  457   1HG2  ILE  61          HG21      ILE  61   3.715  -9.098   0.395
  458   2HG2  ILE  61          HG22      ILE  61   4.900  -7.813   0.623
  459   3HG2  ILE  61          HG23      ILE  61   5.077  -8.948  -0.714
  460   1HD1  ILE  61          HD11      ILE  61   0.786  -8.216  -0.885
  461   2HD1  ILE  61          HD12      ILE  61   0.548  -7.560   0.736
  462   3HD1  ILE  61          HD13      ILE  61   1.719  -8.850   0.471
  463    H    TYR  62           HN       TYR  62   2.731  -4.597  -0.903
  464    HA   TYR  62           HA       TYR  62   1.480  -2.985  -1.990
  465   1HB   TYR  62          HB2       TYR  62   3.632  -2.877  -3.471
  466   2HB   TYR  62          HB1       TYR  62   2.638  -3.731  -4.648
  467    HD1  TYR  62           HD1      TYR  62  -0.011  -2.372  -4.010
  468    HD2  TYR  62           HD2      TYR  62   3.910  -0.831  -4.555
  469    HE1  TYR  62           HE1      TYR  62  -0.963  -0.208  -4.686
  470    HE2  TYR  62           HE2      TYR  62   2.985   1.340  -5.222
  471    HH   TYR  62           HH       TYR  62   0.005   2.323  -4.614
  472    H    LYS  63           HN       LYS  63  -0.531  -3.641  -1.889
  473    HA   LYS  63           HA       LYS  63  -1.754  -4.837  -4.185
  474   1HB   LYS  63          HB2       LYS  63  -2.768  -6.738  -3.049
  475   2HB   LYS  63          HB1       LYS  63  -1.018  -6.868  -2.992
  476   1HG   LYS  63          HG2       LYS  63  -1.033  -6.080  -0.687
  477   2HG   LYS  63          HG1       LYS  63  -2.790  -5.936  -0.746
  478   1HD   LYS  63          HD2       LYS  63  -3.038  -8.296  -1.026
  479   2HD   LYS  63          HD1       LYS  63  -1.301  -8.513  -1.229
  480   1HE   LYS  63          HE2       LYS  63  -1.353  -9.031   0.951
  481   2HE   LYS  63          HE1       LYS  63  -1.405  -7.300   1.195
  482   1HZ   LYS  63          HZ1       LYS  63  -3.133  -8.189   2.477
  483   2HZ   LYS  63          HZ2       LYS  63  -3.660  -9.204   1.234
  484   3HZ   LYS  63          HZ3       LYS  63  -3.893  -7.534   1.115
  485    H    ARG  64           HN       ARG  64  -3.636  -3.861  -4.454
  486    HA   ARG  64           HA       ARG  64  -4.855  -2.571  -2.110
  487   1HB   ARG  64          HB2       ARG  64  -5.841  -1.038  -4.016
  488   2HB   ARG  64          HB1       ARG  64  -4.247  -0.748  -3.335
  489   1HG   ARG  64          HG2       ARG  64  -3.766  -2.513  -5.403
  490   2HG   ARG  64          HG1       ARG  64  -5.007  -1.430  -6.037
  491   1HD   ARG  64          HD2       ARG  64  -2.495  -0.479  -4.676
  492   2HD   ARG  64          HD1       ARG  64  -2.638  -0.688  -6.423
  493    HE   ARG  64           HE       ARG  64  -4.633   1.013  -5.185
  494   1HH1  ARG  64          HH11      ARG  64  -1.581   0.807  -6.857
  495   2HH1  ARG  64          HH12      ARG  64  -1.607   2.460  -7.373
  496   1HH2  ARG  64          HH21      ARG  64  -4.675   3.187  -5.863
  497   2HH2  ARG  64          HH22      ARG  64  -3.366   3.813  -6.809
  498    H    CYS  65           HN       CYS  65  -7.188  -1.718  -3.313
  499    HA   CYS  65           HA       CYS  65  -8.567  -4.211  -4.035
  500   1HB   CYS  65          HB2       CYS  65  -9.861  -2.105  -2.327
  501   2HB   CYS  65          HB1       CYS  65 -10.300  -3.801  -2.515
  502    H    ARG  66           HN       ARG  66  -9.765  -4.021  -5.851
  503    HA   ARG  66           HA       ARG  66  -9.698  -1.715  -7.383
  504   1HB   ARG  66          HB2       ARG  66 -10.183  -3.832  -8.438
  505   2HB   ARG  66          HB1       ARG  66 -11.639  -4.036  -7.476
  506   1HG   ARG  66          HG2       ARG  66 -12.201  -3.417  -9.742
  507   2HG   ARG  66          HG1       ARG  66 -12.660  -2.130  -8.625
  508   1HD   ARG  66          HD2       ARG  66 -10.635  -0.896  -9.209
  509   2HD   ARG  66          HD1       ARG  66 -10.162  -2.186 -10.315
  510    HE   ARG  66           HE       ARG  66 -12.536  -1.538 -11.305
  511   1HH1  ARG  66          HH11      ARG  66  -9.923   0.503 -10.234
  512   2HH1  ARG  66          HH12      ARG  66 -10.298   1.781 -11.341
  513   1HH2  ARG  66          HH21      ARG  66 -13.036   0.138 -12.764
  514   2HH2  ARG  66          HH22      ARG  66 -12.070   1.574 -12.778
  515    H    HIS  67           HN       HIS  67 -11.093   0.000  -7.691
  516    HA   HIS  67           HA       HIS  67 -12.474   0.974  -5.477
  517   1HB   HIS  67          HB2       HIS  67 -11.582   2.362  -7.321
  518   2HB   HIS  67          HB1       HIS  67 -12.845   1.744  -8.380
  519    HD1  HIS  67           HD1      HIS  67 -12.380   3.932  -5.346
  520    HD2  HIS  67           HD2      HIS  67 -15.265   3.024  -8.186
  521    HE1  HIS  67           HE1      HIS  67 -14.215   5.614  -4.996
  522    HE2  HIS  67           HE2      HIS  67 -15.898   5.115  -6.803
  523    HA   PRO  68           HA       PRO  68 -16.196  -1.562  -5.413
  524   1HB   PRO  68          HB2       PRO  68 -17.110   0.945  -4.070
  525   2HB   PRO  68          HB1       PRO  68 -17.362  -0.740  -3.595
  526   1HG   PRO  68          HG2       PRO  68 -15.538   0.725  -2.360
  527   2HG   PRO  68          HG1       PRO  68 -15.177  -0.957  -2.795
  528   1HD   PRO  68          HD2       PRO  68 -14.241   1.575  -4.070
  529   2HD   PRO  68          HD1       PRO  68 -13.387   0.032  -3.863
  530    H    GLY  69           HN       GLY  69 -16.195   1.873  -6.308
  531   1HA   GLY  69          HA2       GLY  69 -17.103   2.513  -8.464
  532   2HA   GLY  69          HA1       GLY  69 -18.321   1.262  -8.259
  533    H    GLU  70           HN       GLU  70 -19.580   3.242  -8.904
  534    HA   GLU  70           HA       GLU  70 -20.064   5.196  -6.815
  535   1HB   GLU  70          HB2       GLU  70 -20.118   5.861  -9.212
  536   2HB   GLU  70          HB1       GLU  70 -21.491   4.789  -9.451
  537   1HG   GLU  70          HG2       GLU  70 -22.799   6.120  -7.868
  538   2HG   GLU  70          HG1       GLU  70 -21.425   7.205  -7.658
  539    H    LEU  71           HN       LEU  71 -21.669   5.284  -5.427
  540    HA   LEU  71           HA       LEU  71 -23.419   2.943  -5.216
  541   1HB   LEU  71          HB2       LEU  71 -22.000   4.128  -3.305
  542   2HB   LEU  71          HB1       LEU  71 -23.402   5.171  -3.220
  543    HG   LEU  71           HG       LEU  71 -23.337   2.192  -2.730
  544   1HD1  LEU  71          HD11      LEU  71 -23.955   2.800  -0.461
  545   2HD1  LEU  71          HD12      LEU  71 -23.923   4.509  -0.896
  546   3HD1  LEU  71          HD13      LEU  71 -22.433   3.564  -0.920
  547   1HD2  LEU  71          HD21      LEU  71 -25.426   2.670  -3.799
  548   2HD2  LEU  71          HD22      LEU  71 -25.673   4.092  -2.786
  549   3HD2  LEU  71          HD23      LEU  71 -25.723   2.481  -2.068
  550    H    ARG  72           HN       ARG  72 -25.098   3.282  -6.665
  551    HA   ARG  72           HA       ARG  72 -26.312   5.828  -7.028
  552   1HB   ARG  72          HB2       ARG  72 -26.626   4.189  -8.784
  553   2HB   ARG  72          HB1       ARG  72 -27.284   3.021  -7.645
  554   1HG   ARG  72          HG2       ARG  72 -29.274   4.321  -7.364
  555   2HG   ARG  72          HG1       ARG  72 -28.612   5.627  -8.350
  556   1HD   ARG  72          HD2       ARG  72 -28.514   4.069 -10.270
  557   2HD   ARG  72          HD1       ARG  72 -29.287   2.837  -9.273
  558    HE   ARG  72           HE       ARG  72 -30.920   5.073  -9.190
  559   1HH1  ARG  72          HH11      ARG  72 -29.744   2.829 -11.583
  560   2HH1  ARG  72          HH12      ARG  72 -31.135   2.991 -12.603
  561   1HH2  ARG  72          HH21      ARG  72 -32.750   5.293 -10.529
  562   2HH2  ARG  72          HH22      ARG  72 -32.840   4.393 -12.006
  563    H    ASN  73           HN       ASN  73 -27.662   6.899  -5.916
  564    HA   ASN  73           HA       ASN  73 -28.952   7.558  -4.159
  565   1HB   ASN  73          HB2       ASN  73 -29.841   4.671  -4.399
  566   2HB   ASN  73          HB1       ASN  73 -30.535   5.773  -3.213
  567   1HD2  ASN  73          HD21      ASN  73 -29.516   6.765  -6.404
  568   2HD2  ASN  73          HD22      ASN  73 -31.097   7.084  -7.019
  569    H    GLY  74           HN       GLY  74 -26.339   7.157  -3.613
  570   1HA   GLY  74          HA2       GLY  74 -26.364   6.597  -0.861
  571   2HA   GLY  74          HA1       GLY  74 -25.664   5.237  -1.718
  572    H    GLN  75           HN       GLN  75 -23.980   6.210  -0.053
  573    HA   GLN  75           HA       GLN  75 -22.153   7.839  -1.675
  574   1HB   GLN  75          HB2       GLN  75 -22.773   8.219   1.255
  575   2HB   GLN  75          HB1       GLN  75 -21.400   8.959   0.443
  576   1HG   GLN  75          HG2       GLN  75 -22.933  10.126  -1.067
  577   2HG   GLN  75          HG1       GLN  75 -24.301   9.402  -0.223
  578   1HE2  GLN  75          HE21      GLN  75 -24.821  10.102   1.846
  579   2HE2  GLN  75          HE22      GLN  75 -24.207  11.577   2.500
  580    H    VAL  76           HN       VAL  76 -20.102   7.169  -1.727
  581    HA   VAL  76           HA       VAL  76 -19.435   4.794  -0.115
  582    HB   VAL  76           HB       VAL  76 -18.045   5.676  -2.641
  583   1HG1  VAL  76          HG11      VAL  76 -16.973   3.573  -2.589
  584   2HG1  VAL  76          HG12      VAL  76 -18.054   2.967  -1.336
  585   3HG1  VAL  76          HG13      VAL  76 -16.858   4.202  -0.943
  586   1HG2  VAL  76          HG21      VAL  76 -20.134   3.525  -2.339
  587   2HG2  VAL  76          HG22      VAL  76 -19.303   3.996  -3.822
  588   3HG2  VAL  76          HG23      VAL  76 -20.425   5.113  -3.047
  589    H    GLU  77           HN       GLU  77 -18.355   5.464   1.678
  590    HA   GLU  77           HA       GLU  77 -16.763   7.809   1.765
  591   1HB   GLU  77          HB2       GLU  77 -17.757   7.001   3.796
  592   2HB   GLU  77          HB1       GLU  77 -16.959   5.443   3.630
  593   1HG   GLU  77          HG2       GLU  77 -14.845   6.365   4.129
  594   2HG   GLU  77          HG1       GLU  77 -15.446   8.013   3.962
  595    H    ILE  78           HN       ILE  78 -15.151   7.797   0.235
  596    HA   ILE  78           HA       ILE  78 -13.098   5.704   0.537
  597    HB   ILE  78           HB       ILE  78 -13.788   7.235  -1.973
  598   1HG1  ILE  78          HG12      ILE  78 -15.487   5.607  -1.598
  599   2HG1  ILE  78          HG11      ILE  78 -14.394   4.912  -2.790
  600   1HG2  ILE  78          HG21      ILE  78 -12.146   5.867  -3.088
  601   2HG2  ILE  78          HG22      ILE  78 -11.804   4.996  -1.594
  602   3HG2  ILE  78          HG23      ILE  78 -11.382   6.703  -1.737
  603   1HD1  ILE  78          HD11      ILE  78 -15.033   3.245  -1.175
  604   2HD1  ILE  78          HD12      ILE  78 -14.475   4.271   0.147
  605   3HD1  ILE  78          HD13      ILE  78 -13.315   3.611  -1.006
  606    H    LYS  79           HN       LYS  79 -10.912   6.328   0.360
  607    HA   LYS  79           HA       LYS  79 -10.071   9.009  -0.005
  608   1HB   LYS  79          HB2       LYS  79  -9.401   9.526   2.292
  609   2HB   LYS  79          HB1       LYS  79 -11.141   9.314   2.185
  610   1HG   LYS  79          HG2       LYS  79  -9.231   7.190   3.133
  611   2HG   LYS  79          HG1       LYS  79 -10.092   8.301   4.199
  612   1HD   LYS  79          HD2       LYS  79 -12.232   7.443   3.306
  613   2HD   LYS  79          HD1       LYS  79 -11.330   6.282   2.328
  614   1HE   LYS  79          HE2       LYS  79 -10.394   5.300   4.366
  615   2HE   LYS  79          HE1       LYS  79 -11.305   6.454   5.339
  616   1HZ   LYS  79          HZ1       LYS  79 -12.476   4.397   3.545
  617   2HZ   LYS  79          HZ2       LYS  79 -13.355   5.511   4.464
  618   3HZ   LYS  79          HZ3       LYS  79 -12.428   4.325   5.235
  619    H    THR  80           HN       THR  80  -9.423   5.912   1.520
  620    HA   THR  80           HA       THR  80  -6.584   6.195   1.464
  621    HB   THR  80           HB       THR  80  -6.503   3.958   2.309
  622    HG1  THR  80           HG1      THR  80  -8.964   3.767   1.035
  623   1HG2  THR  80          HG21      THR  80  -8.715   5.697   3.346
  624   2HG2  THR  80          HG22      THR  80  -7.129   5.367   4.049
  625   3HG2  THR  80          HG23      THR  80  -8.386   4.132   4.096
  626    H    ASP  81           HN       ASP  81  -8.242   6.248  -1.162
  627    HA   ASP  81           HA       ASP  81  -7.881   5.606  -3.347
  628   1HB   ASP  81          HB2       ASP  81  -5.278   4.721  -2.124
  629   2HB   ASP  81          HB1       ASP  81  -5.591   4.726  -3.856
  630    H    LEU  82           HN       LEU  82  -8.610   3.628  -1.043
  631    HA   LEU  82           HA       LEU  82  -9.393   1.501  -0.867
  632   1HB   LEU  82          HB2       LEU  82  -8.873   1.438  -3.835
  633   2HB   LEU  82          HB1       LEU  82  -9.763   0.214  -2.956
  634    HG   LEU  82           HG       LEU  82 -11.490   1.436  -3.847
  635   1HD1  LEU  82          HD11      LEU  82 -11.978   1.460  -1.544
  636   2HD1  LEU  82          HD12      LEU  82 -12.316   3.090  -2.124
  637   3HD1  LEU  82          HD13      LEU  82 -10.831   2.760  -1.234
  638   1HD2  LEU  82          HD21      LEU  82  -9.824   3.918  -3.488
  639   2HD2  LEU  82          HD22      LEU  82 -11.464   3.883  -4.135
  640   3HD2  LEU  82          HD23      LEU  82 -10.158   3.073  -5.000
  641    H    SER  83           HN       SER  83  -6.937   1.760   0.035
  642    HA   SER  83           HA       SER  83  -5.251  -0.282  -1.188
  643   1HB   SER  83          HB2       SER  83  -3.546   0.416   0.414
  644   2HB   SER  83          HB1       SER  83  -4.218   1.838  -0.383
  645    HG   SER  83           HG       SER  83  -5.329   2.346   1.437
  646    H    PHE  84           HN       PHE  84  -5.076  -2.318  -0.416
  647    HA   PHE  84           HA       PHE  84  -6.881  -3.656   1.026
  648   1HB   PHE  84          HB2       PHE  84  -5.130  -4.899   0.033
  649   2HB   PHE  84          HB1       PHE  84  -3.899  -4.078   0.988
  650    HD1  PHE  84           HD1      PHE  84  -6.709  -6.474   1.183
  651    HD2  PHE  84           HD2      PHE  84  -3.255  -4.889   3.096
  652    HE1  PHE  84           HE1      PHE  84  -6.832  -8.258   2.873
  653    HE2  PHE  84           HE2      PHE  84  -3.368  -6.669   4.788
  654    HZ   PHE  84           HZ       PHE  84  -5.160  -8.357   4.680
  655    H    GLY  85           HN       GLY  85  -7.403  -4.154   3.115
  656   1HA   GLY  85          HA2       GLY  85  -7.308  -4.127   5.429
  657   2HA   GLY  85          HA1       GLY  85  -5.789  -3.253   5.331
  658    H    SER  86           HN       SER  86  -9.186  -2.597   4.376
  659    HA   SER  86           HA       SER  86  -9.272  -0.385   6.224
  660   1HB   SER  86          HB2       SER  86  -9.424   0.139   3.254
  661   2HB   SER  86          HB1       SER  86  -9.870   1.304   4.504
  662    HG   SER  86           HG       SER  86  -7.314   0.085   4.385
  663    H    GLN  87           HN       GLN  87 -11.287   0.615   6.417
  664    HA   GLN  87           HA       GLN  87 -13.526  -1.048   5.478
  665   1HB   GLN  87          HB2       GLN  87 -13.522  -1.383   7.780
  666   2HB   GLN  87          HB1       GLN  87 -12.953   0.243   8.119
  667   1HG   GLN  87          HG2       GLN  87 -15.658  -0.075   6.937
  668   2HG   GLN  87          HG1       GLN  87 -15.423  -0.497   8.634
  669   1HE2  GLN  87          HE21      GLN  87 -15.516   2.043   6.302
  670   2HE2  GLN  87          HE22      GLN  87 -15.430   3.360   7.410
  671    H    ILE  88           HN       ILE  88 -15.051  -0.050   4.300
  672    HA   ILE  88           HA       ILE  88 -15.061   2.898   4.272
  673    HB   ILE  88           HB       ILE  88 -15.888   2.696   1.896
  674   1HG1  ILE  88          HG12      ILE  88 -14.748  -0.096   2.126
  675   2HG1  ILE  88          HG11      ILE  88 -16.469   0.269   2.070
  676   1HG2  ILE  88          HG21      ILE  88 -13.678   3.467   2.289
  677   2HG2  ILE  88          HG22      ILE  88 -13.581   2.270   0.998
  678   3HG2  ILE  88          HG23      ILE  88 -13.101   1.837   2.639
  679   1HD1  ILE  88          HD11      ILE  88 -14.478   0.887  -0.097
  680   2HD1  ILE  88          HD12      ILE  88 -16.211   1.215  -0.151
  681   3HD1  ILE  88          HD13      ILE  88 -15.629  -0.449  -0.094
  682    H    GLU  89           HN       GLU  89 -16.807   3.539   5.346
  683    HA   GLU  89           HA       GLU  89 -19.192   1.958   5.483
  684   1HB   GLU  89          HB2       GLU  89 -18.180   4.455   6.697
  685   2HB   GLU  89          HB1       GLU  89 -19.922   4.355   6.516
  686   1HG   GLU  89          HG2       GLU  89 -19.906   2.227   7.748
  687   2HG   GLU  89          HG1       GLU  89 -18.166   2.398   7.975
  688    H    PHE  90           HN       PHE  90 -21.088   2.233   4.447
  689    HA   PHE  90           HA       PHE  90 -21.088   4.069   2.173
  690   1HB   PHE  90          HB2       PHE  90 -23.011   1.825   2.825
  691   2HB   PHE  90          HB1       PHE  90 -22.916   2.716   1.310
  692    HD1  PHE  90           HD1      PHE  90 -21.412   0.121   3.374
  693    HD2  PHE  90           HD2      PHE  90 -21.076   2.342  -0.246
  694    HE1  PHE  90           HE1      PHE  90 -19.779  -1.510   2.526
  695    HE2  PHE  90           HE2      PHE  90 -19.447   0.711  -1.099
  696    HZ   PHE  90           HZ       PHE  90 -18.794  -1.216   0.291
  697    H    SER  91           HN       SER  91 -23.539   4.763   1.652
  698    HA   SER  91           HA       SER  91 -25.016   5.507   4.009
  699   1HB   SER  91          HB2       SER  91 -23.676   7.673   2.384
  700   2HB   SER  91          HB1       SER  91 -24.863   7.936   3.660
  701    HG   SER  91           HG       SER  91 -23.155   7.994   4.890
  702    H    CYS  92           HN       CYS  92 -26.993   5.015   3.372
  703    HA   CYS  92           HA       CYS  92 -27.773   5.439   0.603
  704   1HB   CYS  92          HB2       CYS  92 -28.399   3.377   2.019
  705   2HB   CYS  92          HB1       CYS  92 -29.611   4.416   2.762
  706    H    SER  93           HN       SER  93 -28.562   7.309  -0.040
  707    HA   SER  93           HA       SER  93 -28.956   9.529   1.522
  708   1HB   SER  93          HB2       SER  93 -30.575  10.157  -0.512
  709   2HB   SER  93          HB1       SER  93 -28.817  10.127  -0.670
  710    HG   SER  93           HG       SER  93 -29.239   8.772  -2.224
  711    H    GLU  94           HN       GLU  94 -30.999  10.822   1.654
  712    HA   GLU  94           HA       GLU  94 -32.720   9.829   3.516
  713   1HB   GLU  94          HB2       GLU  94 -32.684  12.159   3.170
  714   2HB   GLU  94          HB1       GLU  94 -33.063  11.999   1.462
  715   1HG   GLU  94          HG2       GLU  94 -35.315  11.372   1.956
  716   2HG   GLU  94          HG1       GLU  94 -34.967  11.312   3.684
  717    H    GLY  95           HN       GLY  95 -34.857   9.100   3.532
  718   1HA   GLY  95          HA2       GLY  95 -36.747   8.027   2.753
  719   2HA   GLY  95          HA1       GLY  95 -36.219   8.369   1.113
  720    H    PHE  96           HN       PHE  96 -33.598   7.043   1.472
  721    HA   PHE  96           HA       PHE  96 -34.604   4.275   1.404
  722   1HB   PHE  96          HB2       PHE  96 -32.082   4.669   0.020
  723   2HB   PHE  96          HB1       PHE  96 -33.559   3.909  -0.556
  724    HD1  PHE  96           HD1      PHE  96 -35.419   5.444  -1.406
  725    HD2  PHE  96           HD2      PHE  96 -31.407   6.716  -0.776
  726    HE1  PHE  96           HE1      PHE  96 -35.802   7.363  -2.898
  727    HE2  PHE  96           HE2      PHE  96 -31.783   8.643  -2.268
  728    HZ   PHE  96           HZ       PHE  96 -33.982   8.966  -3.330
  729    H    PHE  97           HN       PHE  97 -33.664   2.868   2.753
  730    HA   PHE  97           HA       PHE  97 -31.478   3.867   4.408
  731   1HB   PHE  97          HB2       PHE  97 -32.045   2.151   5.984
  732   2HB   PHE  97          HB1       PHE  97 -33.533   2.935   5.478
  733    HD1  PHE  97           HD1      PHE  97 -34.685   1.754   3.375
  734    HD2  PHE  97           HD2      PHE  97 -32.060  -0.127   6.147
  735    HE1  PHE  97           HE1      PHE  97 -35.663  -0.432   2.811
  736    HE2  PHE  97           HE2      PHE  97 -33.032  -2.317   5.585
  737    HZ   PHE  97           HZ       PHE  97 -34.835  -2.471   3.916
  738    H    LEU  98           HN       LEU  98 -29.869   2.258   5.127
  739    HA   LEU  98           HA       LEU  98 -28.623   1.120   2.769
  740   1HB   LEU  98          HB2       LEU  98 -27.415   2.502   4.484
  741   2HB   LEU  98          HB1       LEU  98 -27.584   1.154   5.594
  742    HG   LEU  98           HG       LEU  98 -26.306   0.702   2.930
  743   1HD1  LEU  98          HD11      LEU  98 -24.115   1.190   4.084
  744   2HD1  LEU  98          HD12      LEU  98 -25.059   2.032   5.314
  745   3HD1  LEU  98          HD13      LEU  98 -25.095   2.587   3.640
  746   1HD2  LEU  98          HD21      LEU  98 -25.009  -0.928   4.319
  747   2HD2  LEU  98          HD22      LEU  98 -26.740  -1.250   4.218
  748   3HD2  LEU  98          HD23      LEU  98 -26.063  -0.514   5.671
  749    H    ILE  99           HN       ILE  99 -28.257  -0.991   2.391
  750    HA   ILE  99           HA       ILE  99 -28.684  -3.057   4.375
  751    HB   ILE  99           HB       ILE  99 -30.154  -3.782   1.997
  752   1HG1  ILE  99          HG12      ILE  99 -31.472  -1.612   3.589
  753   2HG1  ILE  99          HG11      ILE  99 -30.516  -1.234   2.164
  754   1HG2  ILE  99          HG21      ILE  99 -30.225  -4.944   4.166
  755   2HG2  ILE  99          HG22      ILE  99 -31.829  -4.473   3.606
  756   3HG2  ILE  99          HG23      ILE  99 -31.029  -3.541   4.873
  757   1HD1  ILE  99          HD11      ILE  99 -32.945  -1.388   1.736
  758   2HD1  ILE  99          HD12      ILE  99 -32.871  -3.099   2.161
  759   3HD1  ILE  99          HD13      ILE  99 -31.978  -2.497   0.765
  760    H    GLY 100           HN       GLY 100 -26.680  -3.727   4.056
  761   1HA   GLY 100          HA2       GLY 100 -25.900  -5.636   2.349
  762   2HA   GLY 100          HA1       GLY 100 -25.583  -4.180   1.416
  763    H    SER 101           HN       SER 101 -25.274  -4.711   4.868
  764    HA   SER 101           HA       SER 101 -23.519  -4.547   6.308
  765   1HB   SER 101          HB2       SER 101 -22.457  -6.278   4.880
  766   2HB   SER 101          HB1       SER 101 -21.800  -5.007   3.852
  767    HG   SER 101           HG       SER 101 -20.534  -5.982   5.773
  768    H    THR 102           HN       THR 102 -23.513  -2.483   7.041
  769    HA   THR 102           HA       THR 102 -23.085  -0.213   5.421
  770    HB   THR 102           HB       THR 102 -22.897   1.062   7.516
  771    HG1  THR 102           HG1      THR 102 -23.155  -0.274   9.498
  772   1HG2  THR 102          HG21      THR 102 -25.135   0.376   6.681
  773   2HG2  THR 102          HG22      THR 102 -25.079   0.583   8.431
  774   3HG2  THR 102          HG23      THR 102 -25.057  -1.037   7.733
  775    H    THR 103           HN       THR 103 -20.964  -2.526   6.403
  776    HA   THR 103           HA       THR 103 -18.708  -0.665   6.148
  777    HB   THR 103           HB       THR 103 -17.385  -2.287   7.459
  778    HG1  THR 103           HG1      THR 103 -19.836  -3.448   8.266
  779   1HG2  THR 103          HG21      THR 103 -18.216  -0.361   8.596
  780   2HG2  THR 103          HG22      THR 103 -18.451  -1.746   9.664
  781   3HG2  THR 103          HG23      THR 103 -19.815  -1.085   8.761
  782    H    SER 104           HN       SER 104 -16.815  -1.549   5.092
  783    HA   SER 104           HA       SER 104 -17.177  -3.996   3.580
  784   1HB   SER 104          HB2       SER 104 -18.060  -2.222   2.090
  785   2HB   SER 104          HB1       SER 104 -16.537  -1.350   2.245
  786    HG   SER 104           HG       SER 104 -17.114  -3.183   0.486
  787    H    ARG 105           HN       ARG 105 -15.399  -5.103   3.971
  788    HA   ARG 105           HA       ARG 105 -12.917  -3.654   4.604
  789   1HB   ARG 105          HB2       ARG 105 -13.687  -6.518   5.203
  790   2HB   ARG 105          HB1       ARG 105 -12.183  -5.742   5.679
  791   1HG   ARG 105          HG2       ARG 105 -13.522  -4.107   6.996
  792   2HG   ARG 105          HG1       ARG 105 -14.956  -5.064   6.626
  793   1HD   ARG 105          HD2       ARG 105 -14.009  -5.604   8.831
  794   2HD   ARG 105          HD1       ARG 105 -14.005  -6.989   7.738
  795    HE   ARG 105           HE       ARG 105 -11.540  -5.748   7.481
  796   1HH1  ARG 105          HH11      ARG 105 -13.371  -7.356   9.971
  797   2HH1  ARG 105          HH12      ARG 105 -11.968  -7.935  10.806
  798   1HH2  ARG 105          HH21      ARG 105  -9.690  -6.508   8.574
  799   2HH2  ARG 105          HH22      ARG 105  -9.878  -7.451  10.014
  800    H    CYS 106           HN       CYS 106 -10.895  -4.904   4.008
  801    HA   CYS 106           HA       CYS 106 -11.157  -5.772   1.214
  802   1HB   CYS 106          HB2       CYS 106  -9.107  -4.157   2.653
  803   2HB   CYS 106          HB1       CYS 106  -8.573  -5.178   1.323
  804    H    GLU 107           HN       GLU 107 -10.966  -7.837   0.931
  805    HA   GLU 107           HA       GLU 107  -9.210  -9.396   2.693
  806   1HB   GLU 107          HB2       GLU 107 -11.583  -9.914   3.044
  807   2HB   GLU 107          HB1       GLU 107 -11.772 -10.250   1.327
  808   1HG   GLU 107          HG2       GLU 107 -10.267 -12.140   1.499
  809   2HG   GLU 107          HG1       GLU 107  -9.997 -11.791   3.207
  810    H    VAL 108           HN       VAL 108  -8.219 -11.254   1.644
  811    HA   VAL 108           HA       VAL 108  -8.103 -11.006  -1.245
  812    HB   VAL 108           HB       VAL 108  -6.312  -9.780  -1.083
  813   1HG1  VAL 108          HG11      VAL 108  -6.549  -9.470   1.304
  814   2HG1  VAL 108          HG12      VAL 108  -4.868  -9.511   0.777
  815   3HG1  VAL 108          HG13      VAL 108  -5.577 -10.920   1.572
  816   1HG2  VAL 108          HG21      VAL 108  -4.912 -12.334  -0.351
  817   2HG2  VAL 108          HG22      VAL 108  -4.224 -10.948  -1.200
  818   3HG2  VAL 108          HG23      VAL 108  -5.472 -11.925  -1.973
  819    H    GLN 109           HN       GLN 109  -7.755 -12.640  -2.407
  820    HA   GLN 109           HA       GLN 109  -7.064 -15.220  -1.166
  821   1HB   GLN 109          HB2       GLN 109  -8.802 -15.333  -3.525
  822   2HB   GLN 109          HB1       GLN 109  -8.948 -16.162  -1.980
  823   1HG   GLN 109          HG2       GLN 109  -9.942 -14.198  -0.976
  824   2HG   GLN 109          HG1       GLN 109  -9.709 -13.282  -2.466
  825   1HE2  GLN 109          HE21      GLN 109 -11.895 -12.842  -2.660
  826   2HE2  GLN 109          HE22      GLN 109 -13.048 -14.043  -3.122
  827    H    ASP 110           HN       ASP 110  -5.143 -15.842  -1.944
  828    HA   ASP 110           HA       ASP 110  -3.417 -16.286  -3.354
  829   1HB   ASP 110          HB2       ASP 110  -5.704 -16.264  -5.317
  830   2HB   ASP 110          HB1       ASP 110  -4.064 -16.724  -5.764
  831    H    ARG 111           HN       ARG 111  -3.335 -15.368  -6.188
  832    HA   ARG 111           HA       ARG 111  -1.911 -13.004  -5.862
  833   1HB   ARG 111          HB2       ARG 111  -1.850 -12.848  -8.259
  834   2HB   ARG 111          HB1       ARG 111  -1.702 -14.538  -7.800
  835   1HG   ARG 111          HG2       ARG 111  -4.305 -13.288  -8.611
  836   2HG   ARG 111          HG1       ARG 111  -3.201 -14.049  -9.757
  837   1HD   ARG 111          HD2       ARG 111  -3.335 -16.133  -8.409
  838   2HD   ARG 111          HD1       ARG 111  -4.553 -15.354  -7.401
  839    HE   ARG 111           HE       ARG 111  -5.559 -15.110  -9.903
  840   1HH1  ARG 111          HH11      ARG 111  -4.374 -17.803  -8.036
  841   2HH1  ARG 111          HH12      ARG 111  -5.416 -18.957  -8.798
  842   1HH2  ARG 111          HH21      ARG 111  -6.936 -16.623 -10.912
  843   2HH2  ARG 111          HH22      ARG 111  -6.871 -18.286 -10.434
  844    H    GLY 112           HN       GLY 112  -5.183 -13.389  -5.581
  845   1HA   GLY 112          HA2       GLY 112  -5.919 -10.802  -6.708
  846   2HA   GLY 112          HA1       GLY 112  -7.005 -11.979  -5.977
  847    H    VAL 113           HN       VAL 113  -7.585  -9.617  -5.167
  848    HA   VAL 113           HA       VAL 113  -7.419  -9.692  -2.449
  849    HB   VAL 113           HB       VAL 113  -5.070  -9.330  -2.430
  850   1HG1  VAL 113          HG11      VAL 113  -4.030  -7.356  -3.499
  851   2HG1  VAL 113          HG12      VAL 113  -5.570  -7.034  -4.306
  852   3HG1  VAL 113          HG13      VAL 113  -4.688  -8.527  -4.641
  853   1HG2  VAL 113          HG21      VAL 113  -6.247  -6.619  -1.895
  854   2HG2  VAL 113          HG22      VAL 113  -4.843  -7.366  -1.129
  855   3HG2  VAL 113          HG23      VAL 113  -6.459  -8.007  -0.828
  856    H    GLY 114           HN       GLY 114  -8.519  -8.056  -1.397
  857   1HA   GLY 114          HA2       GLY 114  -9.072  -5.606  -1.659
  858   2HA   GLY 114          HA1       GLY 114  -9.672  -6.075  -3.238
  859    H    TRP 115           HN       TRP 115 -11.705  -5.194  -2.642
  860    HA   TRP 115           HA       TRP 115 -13.158  -5.904  -0.359
  861   1HB   TRP 115          HB2       TRP 115 -14.393  -5.179  -3.009
  862   2HB   TRP 115          HB1       TRP 115 -15.055  -4.918  -1.400
  863    HD1  TRP 115           HD1      TRP 115 -13.352  -3.126  -4.066
  864    HE1  TRP 115           HE1      TRP 115 -12.377  -0.901  -3.226
  865    HE3  TRP 115           HE3      TRP 115 -13.716  -3.937   0.961
  866    HZ2  TRP 115           HZ2      TRP 115 -11.832   0.348  -0.749
  867    HZ3  TRP 115           HZ3      TRP 115 -12.945  -2.180   2.500
  868    HH2  TRP 115           HH2      TRP 115 -12.022  -0.083   1.661
  869    H    SER 116           HN       SER 116 -15.085  -7.164  -0.196
  870    HA   SER 116           HA       SER 116 -15.053  -9.574  -1.893
  871   1HB   SER 116          HB2       SER 116 -15.921 -10.811   0.028
  872   2HB   SER 116          HB1       SER 116 -14.434  -9.982   0.487
  873    HG   SER 116           HG       SER 116 -16.768  -8.557   0.885
  874    H    HIS 117           HN       HIS 117 -16.908  -7.057  -0.380
  875    HA   HIS 117           HA       HIS 117 -19.165  -7.592  -2.154
  876   1HB   HIS 117          HB2       HIS 117 -19.585  -7.060   0.794
  877   2HB   HIS 117          HB1       HIS 117 -20.808  -7.458  -0.408
  878    HD1  HIS 117           HD1      HIS 117 -18.549  -8.980   2.029
  879    HD2  HIS 117           HD2      HIS 117 -20.661 -10.208  -1.332
  880    HE1  HIS 117           HE1      HIS 117 -18.596 -11.491   2.146
  881    HE2  HIS 117           HE2      HIS 117 -19.860 -12.215   0.089
  882    HA   PRO 118           HA       PRO 118 -18.396  -3.154  -2.207
  883   1HB   PRO 118          HB2       PRO 118 -19.689  -2.969  -4.730
  884   2HB   PRO 118          HB1       PRO 118 -17.956  -3.010  -4.411
  885   1HG   PRO 118          HG2       PRO 118 -19.411  -4.992  -5.715
  886   2HG   PRO 118          HG1       PRO 118 -17.796  -5.188  -5.016
  887   1HD   PRO 118          HD2       PRO 118 -20.449  -5.981  -3.913
  888   2HD   PRO 118          HD1       PRO 118 -18.873  -6.788  -3.762
  889    H    LEU 119           HN       LEU 119 -20.218  -1.625  -3.802
  890    HA   LEU 119           HA       LEU 119 -21.903  -0.469  -2.151
  891   1HB   LEU 119          HB2       LEU 119 -23.089  -1.144  -4.799
  892   2HB   LEU 119          HB1       LEU 119 -23.078   0.371  -3.931
  893    HG   LEU 119           HG       LEU 119 -21.719   0.764  -5.773
  894   1HD1  LEU 119          HD11      LEU 119 -20.692   1.546  -3.723
  895   2HD1  LEU 119          HD12      LEU 119 -19.467   1.063  -4.897
  896   3HD1  LEU 119          HD13      LEU 119 -19.855   0.003  -3.541
  897   1HD2  LEU 119          HD21      LEU 119 -20.250  -1.807  -5.267
  898   2HD2  LEU 119          HD22      LEU 119 -20.028  -0.699  -6.622
  899   3HD2  LEU 119          HD23      LEU 119 -21.534  -1.602  -6.457
  900    HA   PRO 120           HA       PRO 120 -24.997  -3.418  -0.938
  901   1HB   PRO 120          HB2       PRO 120 -26.395  -1.848   0.701
  902   2HB   PRO 120          HB1       PRO 120 -24.737  -2.320   1.091
  903   1HG   PRO 120          HG2       PRO 120 -25.776   0.265   0.021
  904   2HG   PRO 120          HG1       PRO 120 -24.476  -0.023   1.190
  905   1HD   PRO 120          HD2       PRO 120 -24.140   0.495  -1.537
  906   2HD   PRO 120          HD1       PRO 120 -22.915  -0.188  -0.452
  907    H    GLN 121           HN       GLN 121 -27.595  -2.811  -0.342
  908    HA   GLN 121           HA       GLN 121 -28.692  -2.034  -2.959
  909   1HB   GLN 121          HB2       GLN 121 -29.143  -4.293  -1.298
  910   2HB   GLN 121          HB1       GLN 121 -30.628  -3.353  -1.319
  911   1HG   GLN 121          HG2       GLN 121 -30.598  -3.390  -3.773
  912   2HG   GLN 121          HG1       GLN 121 -29.144  -4.385  -3.725
  913   1HE2  GLN 121          HE21      GLN 121 -30.074  -5.861  -1.372
  914   2HE2  GLN 121          HE22      GLN 121 -31.281  -6.955  -1.947
  915    H    CYS 122           HN       CYS 122 -29.648  -0.087  -3.027
  916    HA   CYS 122           HA       CYS 122 -30.667   1.042  -0.532
  917   1HB   CYS 122          HB2       CYS 122 -29.525   2.158  -3.015
  918   2HB   CYS 122          HB1       CYS 122 -30.848   3.077  -2.301
  919    H    GLU 123           HN       GLU 123 -32.770   0.726  -0.149
  920    HA   GLU 123           HA       GLU 123 -34.655   1.021  -2.385
  921   1HB   GLU 123          HB2       GLU 123 -34.382  -1.380  -1.797
  922   2HB   GLU 123          HB1       GLU 123 -34.845  -1.003  -0.143
  923   1HG   GLU 123          HG2       GLU 123 -36.711  -1.941  -1.353
  924   2HG   GLU 123          HG1       GLU 123 -37.038  -0.260  -0.928
  925    H    ILE 124           HN       ILE 124 -36.521   2.119  -1.910
  926    HA   ILE 124           HA       ILE 124 -36.352   3.971   0.241
  927    HB   ILE 124           HB       ILE 124 -37.548   4.166  -2.083
  928   1HG1  ILE 124          HG12      ILE 124 -37.356   5.925  -0.303
  929   2HG1  ILE 124          HG11      ILE 124 -38.815   6.035  -1.279
  930   1HG2  ILE 124          HG21      ILE 124 -39.751   3.056  -0.356
  931   2HG2  ILE 124          HG22      ILE 124 -39.106   2.360  -1.844
  932   3HG2  ILE 124          HG23      ILE 124 -40.000   3.879  -1.897
  933   1HD1  ILE 124          HD11      ILE 124 -39.329   6.466   1.026
  934   2HD1  ILE 124          HD12      ILE 124 -38.609   4.931   1.509
  935   3HD1  ILE 124          HD13      ILE 124 -40.075   4.947   0.528
  936    H    LEU 125           HN       LEU 125 -37.472   4.065   2.156
  937    HA   LEU 125           HA       LEU 125 -38.056   1.737   3.521
  938   1HB   LEU 125          HB2       LEU 125 -39.260   4.455   4.047
  939   2HB   LEU 125          HB1       LEU 125 -39.129   3.139   5.197
  940    HG   LEU 125           HG       LEU 125 -36.777   4.585   3.966
  941   1HD1  LEU 125          HD11      LEU 125 -36.520   5.697   6.075
  942   2HD1  LEU 125          HD12      LEU 125 -37.880   4.811   6.761
  943   3HD1  LEU 125          HD13      LEU 125 -38.154   5.994   5.481
  944   1HD2  LEU 125          HD21      LEU 125 -36.839   2.681   6.299
  945   2HD2  LEU 125          HD22      LEU 125 -35.420   3.389   5.524
  946   3HD2  LEU 125          HD23      LEU 125 -36.404   2.211   4.655
  947    H    GLU 126           HN       GLU 126 -40.565   4.109   2.603
  948    HA   GLU 126           HA       GLU 126 -42.289   1.919   1.728
  949   1HB   GLU 126          HB2       GLU 126 -43.068   3.913   3.862
  950   2HB   GLU 126          HB1       GLU 126 -44.186   2.814   3.068
  951   1HG   GLU 126          HG2       GLU 126 -41.777   1.855   4.580
  952   2HG   GLU 126          HG1       GLU 126 -43.342   2.127   5.346
  953    H    HIS 127           HN       HIS 127 -41.564   5.339   1.877
  954    HA   HIS 127           HA       HIS 127 -43.681   6.325   0.325
  955   1HB   HIS 127          HB2       HIS 127 -40.843   7.339   0.590
  956   2HB   HIS 127          HB1       HIS 127 -42.158   8.240  -0.158
  957    HD1  HIS 127           HD1      HIS 127 -43.767   9.455   1.374
  958    HD2  HIS 127           HD2      HIS 127 -41.084   7.029   3.420
  959    HE1  HIS 127           HE1      HIS 127 -44.040  10.049   3.801
  960    HE2  HIS 127           HE2      HIS 127 -42.327   8.650   5.007
  961    H    HIS 128           HN       HIS 128 -44.224   5.668  -1.649
  962    HA   HIS 128           HA       HIS 128 -42.244   4.546  -3.439
  963   1HB   HIS 128          HB2       HIS 128 -45.210   4.979  -3.848
  964   2HB   HIS 128          HB1       HIS 128 -44.150   4.038  -4.893
  965    HD1  HIS 128           HD1      HIS 128 -46.400   3.684  -2.107
  966    HD2  HIS 128           HD2      HIS 128 -42.973   1.734  -3.421
  967    HE1  HIS 128           HE1      HIS 128 -46.400   1.461  -0.932
  968    HE2  HIS 128           HE2      HIS 128 -44.351   0.273  -1.792
  969    H    HIS 129           HN       HIS 129 -41.530   5.396  -5.333
  970    HA   HIS 129           HA       HIS 129 -42.613   7.589  -6.701
  971   1HB   HIS 129          HB2       HIS 129 -41.884   8.828  -4.673
  972   2HB   HIS 129          HB1       HIS 129 -40.232   8.296  -4.970
  973    HD1  HIS 129           HD1      HIS 129 -38.846   9.712  -6.490
  974    HD2  HIS 129           HD2      HIS 129 -42.895  10.612  -6.743
  975    HE1  HIS 129           HE1      HIS 129 -38.989  11.767  -7.933
  976    HE2  HIS 129           HE2      HIS 129 -41.436  12.358  -7.974
  977    H    HIS 130           HN       HIS 130 -39.886   5.603  -5.872
  978    HA   HIS 130           HA       HIS 130 -38.265   6.210  -8.127
  979   1HB   HIS 130          HB2       HIS 130 -37.383   5.209  -6.048
  980   2HB   HIS 130          HB1       HIS 130 -38.294   3.739  -6.378
  981    HD1  HIS 130           HD1      HIS 130 -35.226   5.592  -7.374
  982    HD2  HIS 130           HD2      HIS 130 -37.221   2.093  -8.390
  983    HE1  HIS 130           HE1      HIS 130 -33.590   4.261  -8.743
  984    HE2  HIS 130           HE2      HIS 130 -34.774   2.091  -9.230
  985    H    HIS 131           HN       HIS 131 -38.660   5.701 -10.176
  986    HA   HIS 131           HA       HIS 131 -40.726   3.826 -10.873
  987   1HB   HIS 131          HB2       HIS 131 -38.821   5.432 -12.587
  988   2HB   HIS 131          HB1       HIS 131 -40.137   4.445 -13.217
  989    HD1  HIS 131           HD1      HIS 131 -42.501   5.389 -13.062
  990    HD2  HIS 131           HD2      HIS 131 -39.634   7.804 -11.270
  991    HE1  HIS 131           HE1      HIS 131 -43.663   7.567 -12.581
  992    HE2  HIS 131           HE2      HIS 131 -41.940   8.970 -11.395
  993    H    HIS 132           HN       HIS 132 -40.480   1.975 -12.198
  994    HA   HIS 132           HA       HIS 132 -38.166   0.412 -11.531
  995   1HB   HIS 132          HB2       HIS 132 -39.349  -1.356 -12.911
  996   2HB   HIS 132          HB1       HIS 132 -40.236  -0.753 -11.515
  997    HD1  HIS 132           HD1      HIS 132 -40.340  -0.924 -15.221
  998    HD2  HIS 132           HD2      HIS 132 -42.513   0.817 -12.136
  999    HE1  HIS 132           HE1      HIS 132 -42.503  -0.175 -16.262
 1000    HE2  HIS 132           HE2      HIS 132 -43.762   0.956 -14.397
  Start of MODEL    7
    1   1H    MET   0           HT1      MET   0  34.064  -2.788   1.746
    2   2H    MET   0           HT2      MET   0  34.929  -1.415   1.270
    3   3H    MET   0           HT3      MET   0  35.589  -2.953   1.029
    4    HA   MET   0           HA       MET   0  34.756  -2.044  -1.035
    5   1HB   MET   0          HB2       MET   0  33.173  -4.366   0.080
    6   2HB   MET   0          HB1       MET   0  33.237  -3.938  -1.624
    7   1HG   MET   0          HG2       MET   0  35.580  -4.762   0.076
    8   2HG   MET   0          HG1       MET   0  34.741  -5.777  -1.096
    9   1HE   MET   0          HE1       MET   0  34.811  -5.378  -3.729
   10   2HE   MET   0          HE2       MET   0  35.578  -3.975  -4.472
   11   3HE   MET   0          HE3       MET   0  34.157  -3.763  -3.450
   12    H    ASN   1           HN       ASN   1  33.517  -0.467  -1.767
   13    HA   ASN   1           HA       ASN   1  31.041   0.203  -0.383
   14   1HB   ASN   1          HB2       ASN   1  32.963   1.633  -2.093
   15   2HB   ASN   1          HB1       ASN   1  31.276   2.058  -2.372
   16   1HD2  ASN   1          HD21      ASN   1  30.087   3.006  -0.723
   17   2HD2  ASN   1          HD22      ASN   1  30.842   3.732   0.650
   18    H    CYS   2           HN       CYS   2  29.063   0.578  -1.515
   19    HA   CYS   2           HA       CYS   2  28.711  -1.270  -3.749
   20   1HB   CYS   2          HB2       CYS   2  26.773   0.048  -1.851
   21   2HB   CYS   2          HB1       CYS   2  26.244  -0.848  -3.271
   22    H    GLY   3           HN       GLY   3  27.023  -0.558  -5.408
   23   1HA   GLY   3          HA2       GLY   3  27.961   1.881  -6.608
   24   2HA   GLY   3          HA1       GLY   3  26.720   0.814  -7.253
   25    HA   PRO   4           HA       PRO   4  25.244   5.044  -5.193
   26   1HB   PRO   4          HB2       PRO   4  24.422   5.254  -8.071
   27   2HB   PRO   4          HB1       PRO   4  24.827   6.538  -6.925
   28   1HG   PRO   4          HG2       PRO   4  26.615   5.762  -8.721
   29   2HG   PRO   4          HG1       PRO   4  27.117   6.102  -7.055
   30   1HD   PRO   4          HD2       PRO   4  26.788   3.482  -8.437
   31   2HD   PRO   4          HD1       PRO   4  27.932   3.955  -7.166
   32    HA   PRO   5           HA       PRO   5  21.517   2.696  -4.413
   33   1HB   PRO   5          HB2       PRO   5  20.575   5.441  -3.702
   34   2HB   PRO   5          HB1       PRO   5  20.412   3.927  -2.804
   35   1HG   PRO   5          HG2       PRO   5  22.228   5.724  -2.081
   36   2HG   PRO   5          HG1       PRO   5  22.608   3.992  -2.042
   37   1HD   PRO   5          HD2       PRO   5  23.461   6.080  -3.990
   38   2HD   PRO   5          HD1       PRO   5  24.345   4.658  -3.401
   39    HA   PRO   6           HA       PRO   6  19.221   3.692  -8.122
   40   1HB   PRO   6          HB2       PRO   6  17.564   1.411  -7.652
   41   2HB   PRO   6          HB1       PRO   6  18.933   1.538  -8.756
   42   1HG   PRO   6          HG2       PRO   6  18.855  -0.049  -6.490
   43   2HG   PRO   6          HG1       PRO   6  20.335   0.489  -7.305
   44   1HD   PRO   6          HD2       PRO   6  19.012   1.579  -4.859
   45   2HD   PRO   6          HD1       PRO   6  20.742   1.401  -5.226
   46    H    THR   7           HN       THR   7  16.801   3.251  -8.647
   47    HA   THR   7           HA       THR   7  15.188   4.840  -6.756
   48    HB   THR   7           HB       THR   7  14.646   4.352  -9.688
   49    HG1  THR   7           HG1      THR   7  16.016   6.480  -8.384
   50   1HG2  THR   7          HG21      THR   7  13.179   6.316  -9.443
   51   2HG2  THR   7          HG22      THR   7  13.557   6.369  -7.721
   52   3HG2  THR   7          HG23      THR   7  12.684   4.990  -8.391
   53    H    LEU   8           HN       LEU   8  15.066   2.485  -5.694
   54    HA   LEU   8           HA       LEU   8  13.908   0.298  -6.947
   55   1HB   LEU   8          HB2       LEU   8  13.158   0.931  -4.136
   56   2HB   LEU   8          HB1       LEU   8  13.638  -0.600  -4.844
   57    HG   LEU   8           HG       LEU   8  15.499   1.698  -4.250
   58   1HD1  LEU   8          HD11      LEU   8  14.677   0.684  -2.207
   59   2HD1  LEU   8          HD12      LEU   8  16.363   0.241  -2.473
   60   3HD1  LEU   8          HD13      LEU   8  15.082  -0.920  -2.817
   61   1HD2  LEU   8          HD21      LEU   8  16.218   0.354  -6.153
   62   2HD2  LEU   8          HD22      LEU   8  16.083  -1.107  -5.174
   63   3HD2  LEU   8          HD23      LEU   8  17.277   0.123  -4.761
   64    H    SER   9           HN       SER   9  11.944   0.033  -7.847
   65    HA   SER   9           HA       SER   9   9.951   2.055  -7.614
   66   1HB   SER   9          HB2       SER   9   8.563   0.561  -9.012
   67   2HB   SER   9          HB1       SER   9  10.191   0.727  -9.671
   68    HG   SER   9           HG       SER   9   8.974  -1.494  -9.149
   69    H    PHE  10           HN       PHE  10  10.878  -0.225  -5.482
   70    HA   PHE  10           HA       PHE  10   8.191  -0.444  -4.299
   71   1HB   PHE  10          HB2       PHE  10   9.141  -2.505  -3.136
   72   2HB   PHE  10          HB1       PHE  10   8.828  -2.654  -4.860
   73    HD1  PHE  10           HD1      PHE  10  10.790  -2.373  -6.455
   74    HD2  PHE  10           HD2      PHE  10  11.245  -2.960  -2.266
   75    HE1  PHE  10           HE1      PHE  10  13.113  -3.102  -6.815
   76    HE2  PHE  10           HE2      PHE  10  13.566  -3.689  -2.619
   77    HZ   PHE  10           HZ       PHE  10  14.506  -3.759  -4.893
   78    H    ALA  11           HN       ALA  11   9.773   1.772  -3.929
   79    HA   ALA  11           HA       ALA  11   9.706   2.483  -1.392
   80   1HB   ALA  11          HB1       ALA  11  11.032   0.560  -0.683
   81   2HB   ALA  11          HB2       ALA  11  11.916   2.054  -0.368
   82   3HB   ALA  11          HB3       ALA  11  12.347   1.050  -1.751
   83    H    ALA  12           HN       ALA  12  10.641   4.480  -1.011
   84    HA   ALA  12           HA       ALA  12  12.503   5.465  -3.068
   85   1HB   ALA  12          HB1       ALA  12  10.101   6.983  -2.050
   86   2HB   ALA  12          HB2       ALA  12  10.189   6.146  -3.599
   87   3HB   ALA  12          HB3       ALA  12  11.248   7.519  -3.277
   88    HA   PRO  13           HA       PRO  13  15.146   7.266  -0.040
   89   1HB   PRO  13          HB2       PRO  13  14.468   9.892  -1.307
   90   2HB   PRO  13          HB1       PRO  13  16.047   9.235  -0.862
   91   1HG   PRO  13          HG2       PRO  13  15.225   9.199  -3.396
   92   2HG   PRO  13          HG1       PRO  13  16.133   7.838  -2.713
   93   1HD   PRO  13          HD2       PRO  13  13.249   8.038  -3.389
   94   2HD   PRO  13          HD1       PRO  13  14.311   6.617  -3.368
   95    H    MET  14           HN       MET  14  15.033   8.182   1.949
   96    HA   MET  14           HA       MET  14  12.811   9.912   2.662
   97   1HB   MET  14          HB2       MET  14  12.238   7.375   2.959
   98   2HB   MET  14          HB1       MET  14  13.272   7.496   4.375
   99   1HG   MET  14          HG2       MET  14  10.893   9.269   3.887
  100   2HG   MET  14          HG1       MET  14  10.831   7.769   4.810
  101   1HE   MET  14          HE1       MET  14  10.541  10.417   7.648
  102   2HE   MET  14          HE2       MET  14   9.864   8.945   6.949
  103   3HE   MET  14          HE3       MET  14   9.805  10.458   6.046
  104    H    ASP  15           HN       ASP  15  15.841   8.387   3.395
  105    HA   ASP  15           HA       ASP  15  16.631  10.672   4.991
  106   1HB   ASP  15          HB2       ASP  15  15.605   9.124   6.635
  107   2HB   ASP  15          HB1       ASP  15  16.758   7.883   6.158
  108    H    ILE  16           HN       ILE  16  17.955  10.872   3.082
  109    HA   ILE  16           HA       ILE  16  20.560   9.874   3.445
  110    HB   ILE  16           HB       ILE  16  19.859   7.837   2.533
  111   1HG1  ILE  16          HG12      ILE  16  20.948   9.404   0.203
  112   2HG1  ILE  16          HG11      ILE  16  21.926   8.767   1.521
  113   1HG2  ILE  16          HG21      ILE  16  17.680   8.528   1.722
  114   2HG2  ILE  16          HG22      ILE  16  18.542   7.598   0.496
  115   3HG2  ILE  16          HG23      ILE  16  18.444   9.354   0.364
  116   1HD1  ILE  16          HD11      ILE  16  21.236   6.492   0.891
  117   2HD1  ILE  16          HD12      ILE  16  22.093   7.331  -0.402
  118   3HD1  ILE  16          HD13      ILE  16  20.338   7.165  -0.469
  119    H    THR  17           HN       THR  17  21.165  12.017   3.225
  120    HA   THR  17           HA       THR  17  20.369  13.756   1.200
  121    HB   THR  17           HB       THR  17  22.637  14.861   1.544
  122    HG1  THR  17           HG1      THR  17  22.952  12.530   3.016
  123   1HG2  THR  17          HG21      THR  17  20.672  15.604   2.763
  124   2HG2  THR  17          HG22      THR  17  22.081  15.635   3.824
  125   3HG2  THR  17          HG23      THR  17  20.903  14.328   3.959
  126    H    LEU  18           HN       LEU  18  20.574  13.537  -0.925
  127    HA   LEU  18           HA       LEU  18  22.296  11.555  -2.017
  128   1HB   LEU  18          HB2       LEU  18  20.197  13.373  -3.026
  129   2HB   LEU  18          HB1       LEU  18  21.401  12.868  -4.193
  130    HG   LEU  18           HG       LEU  18  19.494  11.391  -4.320
  131   1HD1  LEU  18          HD11      LEU  18  20.589   9.238  -3.911
  132   2HD1  LEU  18          HD12      LEU  18  21.829  10.054  -2.960
  133   3HD1  LEU  18          HD13      LEU  18  21.679  10.388  -4.686
  134   1HD2  LEU  18          HD21      LEU  18  18.820  10.010  -2.405
  135   2HD2  LEU  18          HD22      LEU  18  18.591  11.731  -2.093
  136   3HD2  LEU  18          HD23      LEU  18  19.966  10.882  -1.386
  137    H    THR  19           HN       THR  19  23.582  13.742  -0.636
  138    HA   THR  19           HA       THR  19  24.844  15.407  -2.618
  139    HB   THR  19           HB       THR  19  26.070  16.384  -0.812
  140    HG1  THR  19           HG1      THR  19  26.120  14.001   0.198
  141   1HG2  THR  19          HG21      THR  19  23.790  17.107  -0.848
  142   2HG2  THR  19          HG22      THR  19  24.240  16.867   0.840
  143   3HG2  THR  19          HG23      THR  19  23.258  15.659   0.008
  144    H    GLU  20           HN       GLU  20  25.430  12.389  -1.045
  145    HA   GLU  20           HA       GLU  20  28.176  12.257  -2.061
  146   1HB   GLU  20          HB2       GLU  20  26.674  10.364  -0.239
  147   2HB   GLU  20          HB1       GLU  20  28.370  10.227  -0.684
  148   1HG   GLU  20          HG2       GLU  20  27.131  12.479   0.882
  149   2HG   GLU  20          HG1       GLU  20  28.105  11.165   1.542
  150    H    THR  21           HN       THR  21  28.493   9.580  -2.510
  151    HA   THR  21           HA       THR  21  26.397   8.751  -4.366
  152    HB   THR  21           HB       THR  21  29.185   8.654  -5.426
  153    HG1  THR  21           HG1      THR  21  27.576  10.956  -5.163
  154   1HG2  THR  21          HG21      THR  21  27.382   7.511  -6.613
  155   2HG2  THR  21          HG22      THR  21  28.001   8.859  -7.566
  156   3HG2  THR  21          HG23      THR  21  26.472   9.019  -6.702
  157    H    ARG  22           HN       ARG  22  28.853   8.032  -2.150
  158    HA   ARG  22           HA       ARG  22  28.622   5.164  -2.773
  159   1HB   ARG  22          HB2       ARG  22  31.042   6.609  -1.697
  160   2HB   ARG  22          HB1       ARG  22  30.901   4.868  -1.882
  161   1HG   ARG  22          HG2       ARG  22  30.649   5.152  -4.304
  162   2HG   ARG  22          HG1       ARG  22  30.835   6.896  -4.106
  163   1HD   ARG  22          HD2       ARG  22  32.890   4.837  -3.313
  164   2HD   ARG  22          HD1       ARG  22  32.920   5.769  -4.810
  165    HE   ARG  22           HE       ARG  22  32.790   7.659  -2.859
  166   1HH1  ARG  22          HH11      ARG  22  34.905   4.963  -3.496
  167   2HH1  ARG  22          HH12      ARG  22  36.294   5.721  -2.789
  168   1HH2  ARG  22          HH21      ARG  22  34.614   8.662  -1.929
  169   2HH2  ARG  22          HH22      ARG  22  36.129   7.820  -1.902
  170    H    PHE  23           HN       PHE  23  28.542   3.755  -0.987
  171    HA   PHE  23           HA       PHE  23  28.359   4.892   1.702
  172   1HB   PHE  23          HB2       PHE  23  26.126   3.228   0.516
  173   2HB   PHE  23          HB1       PHE  23  26.176   3.936   2.128
  174    HD1  PHE  23           HD1      PHE  23  26.068   4.781  -1.476
  175    HD2  PHE  23           HD2      PHE  23  25.385   6.115   2.506
  176    HE1  PHE  23           HE1      PHE  23  25.013   6.817  -2.347
  177    HE2  PHE  23           HE2      PHE  23  24.316   8.156   1.639
  178    HZ   PHE  23           HZ       PHE  23  24.128   8.509  -0.790
  179    H    LYS  24           HN       LYS  24  30.085   3.739   2.397
  180    HA   LYS  24           HA       LYS  24  31.023   1.267   1.813
  181   1HB   LYS  24          HB2       LYS  24  31.557   1.122   4.357
  182   2HB   LYS  24          HB1       LYS  24  32.315   2.356   3.361
  183   1HG   LYS  24          HG2       LYS  24  30.836   4.036   4.184
  184   2HG   LYS  24          HG1       LYS  24  29.830   2.831   4.990
  185   1HD   LYS  24          HD2       LYS  24  31.696   2.275   6.477
  186   2HD   LYS  24          HD1       LYS  24  32.694   3.490   5.675
  187   1HE   LYS  24          HE2       LYS  24  31.241   5.253   6.417
  188   2HE   LYS  24          HE1       LYS  24  30.092   4.087   7.074
  189   1HZ   LYS  24          HZ1       LYS  24  31.476   5.065   8.801
  190   2HZ   LYS  24          HZ2       LYS  24  32.872   4.488   8.039
  191   3HZ   LYS  24          HZ3       LYS  24  31.747   3.400   8.681
  192    H    THR  25           HN       THR  25  30.923  -0.783   3.020
  193    HA   THR  25           HA       THR  25  28.315  -1.820   3.087
  194    HB   THR  25           HB       THR  25  29.449  -3.704   4.431
  195    HG1  THR  25           HG1      THR  25  31.263  -2.400   5.080
  196   1HG2  THR  25          HG21      THR  25  28.987  -3.736   1.969
  197   2HG2  THR  25          HG22      THR  25  30.387  -4.696   2.452
  198   3HG2  THR  25          HG23      THR  25  30.615  -3.107   1.717
  199    H    GLY  26           HN       GLY  26  27.345  -2.826   5.124
  200   1HA   GLY  26          HA2       GLY  26  26.667  -2.661   7.325
  201   2HA   GLY  26          HA1       GLY  26  28.084  -1.672   7.641
  202    H    THR  27           HN       THR  27  27.185   0.142   5.326
  203    HA   THR  27           HA       THR  27  25.941   2.128   6.866
  204    HB   THR  27           HB       THR  27  27.219   2.262   4.576
  205    HG1  THR  27           HG1      THR  27  26.678   4.176   5.446
  206   1HG2  THR  27          HG21      THR  27  24.389   2.358   3.554
  207   2HG2  THR  27          HG22      THR  27  25.385   0.904   3.439
  208   3HG2  THR  27          HG23      THR  27  25.897   2.386   2.629
  209    H    THR  28           HN       THR  28  23.716   2.973   6.642
  210    HA   THR  28           HA       THR  28  21.806   1.159   5.416
  211    HB   THR  28           HB       THR  28  21.767   1.723   8.381
  212    HG1  THR  28           HG1      THR  28  23.108  -0.020   7.734
  213   1HG2  THR  28          HG21      THR  28  19.502   1.868   7.504
  214   2HG2  THR  28          HG22      THR  28  19.700   0.372   8.417
  215   3HG2  THR  28          HG23      THR  28  19.711   0.337   6.654
  216    H    LEU  29           HN       LEU  29  20.270   2.244   4.441
  217    HA   LEU  29           HA       LEU  29  19.857   5.054   5.137
  218   1HB   LEU  29          HB2       LEU  29  18.311   4.238   2.863
  219   2HB   LEU  29          HB1       LEU  29  19.600   5.420   2.954
  220    HG   LEU  29           HG       LEU  29  20.008   2.459   2.517
  221   1HD1  LEU  29          HD11      LEU  29  18.889   3.532   0.621
  222   2HD1  LEU  29          HD12      LEU  29  20.542   3.064   0.220
  223   3HD1  LEU  29          HD13      LEU  29  20.162   4.752   0.562
  224   1HD2  LEU  29          HD21      LEU  29  21.910   3.460   3.604
  225   2HD2  LEU  29          HD22      LEU  29  21.915   4.789   2.447
  226   3HD2  LEU  29          HD23      LEU  29  22.298   3.152   1.911
  227    H    LYS  30           HN       LYS  30  17.214   5.170   3.916
  228    HA   LYS  30           HA       LYS  30  15.664   3.673   5.925
  229   1HB   LYS  30          HB2       LYS  30  15.794   6.111   6.415
  230   2HB   LYS  30          HB1       LYS  30  15.023   6.431   4.866
  231   1HG   LYS  30          HG2       LYS  30  12.985   5.562   5.554
  232   2HG   LYS  30          HG1       LYS  30  13.709   4.659   6.887
  233   1HD   LYS  30          HD2       LYS  30  13.687   7.667   6.770
  234   2HD   LYS  30          HD1       LYS  30  12.397   6.727   7.524
  235   1HE   LYS  30          HE2       LYS  30  15.307   6.524   8.281
  236   2HE   LYS  30          HE1       LYS  30  14.138   7.549   9.114
  237   1HZ   LYS  30          HZ1       LYS  30  14.432   5.435  10.244
  238   2HZ   LYS  30          HZ2       LYS  30  13.963   4.595   8.852
  239   3HZ   LYS  30          HZ3       LYS  30  12.851   5.582   9.659
  240    H    TYR  31           HN       TYR  31  14.597   5.739   3.256
  241    HA   TYR  31           HA       TYR  31  13.310   5.345   1.432
  242   1HB   TYR  31          HB2       TYR  31  14.790   2.783   1.730
  243   2HB   TYR  31          HB1       TYR  31  13.404   2.797   0.642
  244    HD1  TYR  31           HD1      TYR  31  16.409   4.904   1.387
  245    HD2  TYR  31           HD2      TYR  31  13.830   3.260  -1.572
  246    HE1  TYR  31           HE1      TYR  31  17.816   5.884  -0.376
  247    HE2  TYR  31           HE2      TYR  31  15.230   4.236  -3.342
  248    HH   TYR  31           HH       TYR  31  18.317   5.513  -2.748
  249    H    THR  32           HN       THR  32  11.193   4.948   1.030
  250    HA   THR  32           HA       THR  32   9.782   3.127   2.864
  251    HB   THR  32           HB       THR  32   9.175   5.135   3.821
  252    HG1  THR  32           HG1      THR  32   7.039   5.334   3.337
  253   1HG2  THR  32          HG21      THR  32   9.066   6.346   1.054
  254   2HG2  THR  32          HG22      THR  32  10.316   6.614   2.271
  255   3HG2  THR  32          HG23      THR  32   8.673   7.193   2.552
  256    H    CYS  33           HN       CYS  33   8.254   1.853   2.002
  257    HA   CYS  33           HA       CYS  33   8.094   1.534  -0.814
  258   1HB   CYS  33          HB2       CYS  33   6.271   0.365   1.303
  259   2HB   CYS  33          HB1       CYS  33   6.510  -0.245  -0.330
  260    H    LEU  34           HN       LEU  34   6.817   2.343  -2.228
  261    HA   LEU  34           HA       LEU  34   5.293   4.595  -1.970
  262   1HB   LEU  34          HB2       LEU  34   5.010   2.393  -4.011
  263   2HB   LEU  34          HB1       LEU  34   4.313   3.994  -4.172
  264    HG   LEU  34           HG       LEU  34   7.271   3.409  -3.978
  265   1HD1  LEU  34          HD11      LEU  34   5.560   4.123  -6.356
  266   2HD1  LEU  34          HD12      LEU  34   6.358   2.578  -6.064
  267   3HD1  LEU  34          HD13      LEU  34   7.321   4.026  -6.355
  268   1HD2  LEU  34          HD21      LEU  34   5.792   5.968  -4.579
  269   2HD2  LEU  34          HD22      LEU  34   7.542   5.750  -4.614
  270   3HD2  LEU  34          HD23      LEU  34   6.665   5.600  -3.092
  271    HA   PRO  35           HA       PRO  35   1.275   3.742  -0.425
  272   1HB   PRO  35          HB2       PRO  35  -0.360   4.990  -2.239
  273   2HB   PRO  35          HB1       PRO  35   0.553   5.836  -0.986
  274   1HG   PRO  35          HG2       PRO  35   1.218   5.445  -3.879
  275   2HG   PRO  35          HG1       PRO  35   1.382   6.901  -2.879
  276   1HD   PRO  35          HD2       PRO  35   3.495   5.351  -3.453
  277   2HD   PRO  35          HD1       PRO  35   3.329   6.141  -1.872
  278    H    GLY  36           HN       GLY  36   0.959   1.581  -0.591
  279   1HA   GLY  36          HA2       GLY  36  -1.091   0.424  -1.821
  280   2HA   GLY  36          HA1       GLY  36   0.080   0.449  -3.130
  281    H    TYR  37           HN       TYR  37   2.077   0.216  -0.735
  282    HA   TYR  37           HA       TYR  37   2.226  -2.681  -0.818
  283   1HB   TYR  37          HB2       TYR  37   4.050  -0.530   0.277
  284   2HB   TYR  37          HB1       TYR  37   4.357  -2.243   0.523
  285    HD1  TYR  37           HD1      TYR  37   4.962  -3.685  -1.370
  286    HD2  TYR  37           HD2      TYR  37   4.471   0.516  -1.856
  287    HE1  TYR  37           HE1      TYR  37   6.171  -3.795  -3.508
  288    HE2  TYR  37           HE2      TYR  37   5.682   0.414  -3.992
  289    HH   TYR  37           HH       TYR  37   6.341  -2.500  -5.593
  290    H    VAL  38           HN       VAL  38   1.845  -4.000   0.949
  291    HA   VAL  38           HA       VAL  38   1.193  -2.766   3.523
  292    HB   VAL  38           HB       VAL  38  -0.818  -4.026   3.773
  293   1HG1  VAL  38          HG11      VAL  38  -0.870  -1.970   2.271
  294   2HG1  VAL  38          HG12      VAL  38  -2.237  -3.076   2.152
  295   3HG1  VAL  38          HG13      VAL  38  -0.978  -3.097   0.916
  296   1HG2  VAL  38          HG21      VAL  38  -0.123  -6.120   2.789
  297   2HG2  VAL  38          HG22      VAL  38  -0.107  -5.398   1.180
  298   3HG2  VAL  38          HG23      VAL  38  -1.633  -5.598   2.041
  299    H    ARG  39           HN       ARG  39   0.448  -5.097   4.779
  300    HA   ARG  39           HA       ARG  39   1.815  -6.423   6.180
  301   1HB   ARG  39          HB2       ARG  39   1.117  -7.982   3.700
  302   2HB   ARG  39          HB1       ARG  39   1.570  -8.702   5.239
  303   1HG   ARG  39          HG2       ARG  39  -0.373  -7.607   6.292
  304   2HG   ARG  39          HG1       ARG  39  -0.840  -6.970   4.714
  305   1HD   ARG  39          HD2       ARG  39  -2.129  -8.947   5.187
  306   2HD   ARG  39          HD1       ARG  39  -1.008  -9.282   3.868
  307    HE   ARG  39           HE       ARG  39   0.134 -10.019   6.349
  308   1HH1  ARG  39          HH11      ARG  39  -2.261 -11.019   4.024
  309   2HH1  ARG  39          HH12      ARG  39  -2.142 -12.698   4.432
  310   1HH2  ARG  39          HH21      ARG  39   0.296 -12.228   6.892
  311   2HH2  ARG  39          HH22      ARG  39  -0.688 -13.384   6.059
  312    H    SER  40           HN       SER  40   3.032  -8.625   4.098
  313    HA   SER  40           HA       SER  40   5.206  -9.393   4.024
  314   1HB   SER  40          HB2       SER  40   4.935  -8.509   1.833
  315   2HB   SER  40          HB1       SER  40   5.156  -6.853   2.397
  316    HG   SER  40           HG       SER  40   7.006  -8.632   1.599
  317    H    HIS  41           HN       HIS  41   5.693  -9.131   6.284
  318    HA   HIS  41           HA       HIS  41   6.931  -8.395   8.047
  319   1HB   HIS  41          HB2       HIS  41   8.708  -7.253   5.876
  320   2HB   HIS  41          HB1       HIS  41   9.180  -7.589   7.538
  321    HD1  HIS  41           HD1      HIS  41   9.817  -9.980   8.121
  322    HD2  HIS  41           HD2      HIS  41   8.373  -9.565   4.247
  323    HE1  HIS  41           HE1      HIS  41  10.297 -12.172   6.986
  324    HE2  HIS  41           HE2      HIS  41   9.345 -11.925   4.667
  325    H    SER  42           HN       SER  42   8.558  -5.726   7.018
  326    HA   SER  42           HA       SER  42   6.805  -3.637   6.796
  327   1HB   SER  42          HB2       SER  42   5.779  -4.296   8.901
  328   2HB   SER  42          HB1       SER  42   7.354  -4.275   9.703
  329    HG   SER  42           HG       SER  42   5.855  -2.337   9.835
  330    H    THR  43           HN       THR  43   9.768  -4.975   7.429
  331    HA   THR  43           HA       THR  43  11.277  -2.731   8.277
  332    HB   THR  43           HB       THR  43  12.476  -4.902   6.588
  333    HG1  THR  43           HG1      THR  43  11.913  -5.227   9.355
  334   1HG2  THR  43          HG21      THR  43  13.915  -3.106   7.437
  335   2HG2  THR  43          HG22      THR  43  14.330  -4.657   8.168
  336   3HG2  THR  43          HG23      THR  43  13.400  -3.470   9.084
  337    H    GLN  44           HN       GLN  44  13.064  -1.793   6.899
  338    HA   GLN  44           HA       GLN  44  12.906  -1.722   4.096
  339   1HB   GLN  44          HB2       GLN  44  12.094   0.719   3.965
  340   2HB   GLN  44          HB1       GLN  44  10.888  -0.546   4.155
  341   1HG   GLN  44          HG2       GLN  44  10.906  -0.083   6.608
  342   2HG   GLN  44          HG1       GLN  44  11.942   1.305   6.277
  343   1HE2  GLN  44          HE21      GLN  44   8.763  -0.055   5.922
  344   2HE2  GLN  44          HE22      GLN  44   7.961   1.414   5.492
  345    H    THR  45           HN       THR  45  15.126  -1.875   4.308
  346    HA   THR  45           HA       THR  45  16.500   0.645   4.724
  347    HB   THR  45           HB       THR  45  18.202  -0.354   6.234
  348    HG1  THR  45           HG1      THR  45  17.040  -2.601   5.630
  349   1HG2  THR  45          HG21      THR  45  16.876  -0.239   8.283
  350   2HG2  THR  45          HG22      THR  45  15.393  -0.409   7.344
  351   3HG2  THR  45          HG23      THR  45  16.395   1.031   7.156
  352    H    LEU  46           HN       LEU  46  18.520   0.733   3.726
  353    HA   LEU  46           HA       LEU  46  19.156  -1.565   1.992
  354   1HB   LEU  46          HB2       LEU  46  18.898   1.313   1.372
  355   2HB   LEU  46          HB1       LEU  46  20.286   0.510   0.664
  356    HG   LEU  46           HG       LEU  46  18.815  -1.108  -0.434
  357   1HD1  LEU  46          HD11      LEU  46  17.014  -1.253   1.135
  358   2HD1  LEU  46          HD12      LEU  46  16.364  -0.711  -0.412
  359   3HD1  LEU  46          HD13      LEU  46  16.607   0.447   0.897
  360   1HD2  LEU  46          HD21      LEU  46  19.389   0.913  -1.640
  361   2HD2  LEU  46          HD22      LEU  46  18.028   1.762  -0.908
  362   3HD2  LEU  46          HD23      LEU  46  17.737   0.426  -2.021
  363    H    THR  47           HN       THR  47  20.900  -2.519   2.775
  364    HA   THR  47           HA       THR  47  23.076  -0.852   3.869
  365    HB   THR  47           HB       THR  47  22.584  -3.786   4.427
  366    HG1  THR  47           HG1      THR  47  21.531  -3.168   6.242
  367   1HG2  THR  47          HG21      THR  47  24.403  -1.760   5.734
  368   2HG2  THR  47          HG22      THR  47  24.899  -3.111   4.717
  369   3HG2  THR  47          HG23      THR  47  24.155  -3.416   6.286
  370    H    CYS  48           HN       CYS  48  25.160  -1.142   3.095
  371    HA   CYS  48           HA       CYS  48  25.360  -2.509   0.574
  372   1HB   CYS  48          HB2       CYS  48  26.564  -0.378   0.949
  373   2HB   CYS  48          HB1       CYS  48  27.519  -1.146   2.211
  374    H    ASN  49           HN       ASN  49  25.679  -4.572   0.427
  375    HA   ASN  49           HA       ASN  49  26.918  -6.028   2.634
  376   1HB   ASN  49          HB2       ASN  49  26.155  -8.036   1.173
  377   2HB   ASN  49          HB1       ASN  49  24.921  -7.086   1.998
  378   1HD2  ASN  49          HD21      ASN  49  23.836  -5.436   0.761
  379   2HD2  ASN  49          HD22      ASN  49  23.590  -5.676  -0.933
  380    H    SER  50           HN       SER  50  28.237  -8.061   1.664
  381    HA   SER  50           HA       SER  50  30.429  -6.842   0.199
  382   1HB   SER  50          HB2       SER  50  30.990  -8.240   2.106
  383   2HB   SER  50          HB1       SER  50  30.118  -9.606   1.406
  384    HG   SER  50           HG       SER  50  31.837 -10.063   0.306
  385    H    ASP  51           HN       ASP  51  28.732  -6.622  -1.527
  386    HA   ASP  51           HA       ASP  51  29.159  -8.602  -3.639
  387   1HB   ASP  51          HB2       ASP  51  26.390  -7.766  -2.786
  388   2HB   ASP  51          HB1       ASP  51  26.805  -8.830  -4.126
  389    H    GLY  52           HN       GLY  52  29.163  -5.546  -2.569
  390   1HA   GLY  52          HA2       GLY  52  29.101  -3.481  -3.564
  391   2HA   GLY  52          HA1       GLY  52  29.440  -4.343  -5.057
  392    H    GLU  53           HN       GLU  53  26.681  -5.298  -3.431
  393    HA   GLU  53           HA       GLU  53  24.917  -3.544  -5.011
  394   1HB   GLU  53          HB2       GLU  53  23.509  -5.354  -5.580
  395   2HB   GLU  53          HB1       GLU  53  25.140  -5.948  -5.861
  396   1HG   GLU  53          HG2       GLU  53  25.036  -6.990  -3.573
  397   2HG   GLU  53          HG1       GLU  53  23.323  -6.578  -3.554
  398    H    TRP  54           HN       TRP  54  22.671  -3.452  -4.090
  399    HA   TRP  54           HA       TRP  54  22.837  -3.259  -1.193
  400   1HB   TRP  54          HB2       TRP  54  20.785  -2.274  -3.183
  401   2HB   TRP  54          HB1       TRP  54  20.697  -2.014  -1.449
  402    HD1  TRP  54           HD1      TRP  54  22.075  -0.512  -4.552
  403    HE1  TRP  54           HE1      TRP  54  23.612   1.475  -3.983
  404    HE3  TRP  54           HE3      TRP  54  22.534  -1.260   0.474
  405    HZ2  TRP  54           HZ2      TRP  54  24.857   2.579  -1.702
  406    HZ3  TRP  54           HZ3      TRP  54  23.913   0.305   1.782
  407    HH2  TRP  54           HH2      TRP  54  25.049   2.182   0.715
  408    H    VAL  55           HN       VAL  55  22.178  -4.830   0.006
  409    HA   VAL  55           HA       VAL  55  20.294  -6.843  -1.017
  410    HB   VAL  55           HB       VAL  55  22.580  -6.895   0.891
  411   1HG1  VAL  55          HG11      VAL  55  21.717  -8.801   2.121
  412   2HG1  VAL  55          HG12      VAL  55  20.175  -8.667   1.273
  413   3HG1  VAL  55          HG13      VAL  55  20.697  -7.382   2.363
  414   1HG2  VAL  55          HG21      VAL  55  22.608  -7.909  -1.387
  415   2HG2  VAL  55          HG22      VAL  55  21.398  -9.065  -0.827
  416   3HG2  VAL  55          HG23      VAL  55  23.002  -9.031  -0.084
  417    H    TYR  56           HN       TYR  56  18.356  -7.171   0.124
  418    HA   TYR  56           HA       TYR  56  17.925  -6.355   2.729
  419   1HB   TYR  56          HB2       TYR  56  16.479  -4.286   2.300
  420   2HB   TYR  56          HB1       TYR  56  18.222  -4.079   2.135
  421    HD1  TYR  56           HD1      TYR  56  19.217  -3.580   0.000
  422    HD2  TYR  56           HD2      TYR  56  15.045  -4.346   0.299
  423    HE1  TYR  56           HE1      TYR  56  18.905  -2.738  -2.289
  424    HE2  TYR  56           HE2      TYR  56  14.723  -3.506  -1.984
  425    HH   TYR  56           HH       TYR  56  17.286  -2.975  -4.132
  426    H    ASN  57           HN       ASN  57  17.026  -7.970   0.196
  427    HA   ASN  57           HA       ASN  57  15.237  -9.225  -0.433
  428   1HB   ASN  57          HB2       ASN  57  14.160  -8.503   2.302
  429   2HB   ASN  57          HB1       ASN  57  13.610  -9.832   1.286
  430   1HD2  ASN  57          HD21      ASN  57  16.295 -10.503   0.389
  431   2HD2  ASN  57          HD22      ASN  57  17.064 -11.289   1.721
  432    H    THR  58           HN       THR  58  12.606  -9.098  -0.338
  433    HA   THR  58           HA       THR  58  12.011  -6.443  -1.432
  434    HB   THR  58           HB       THR  58  10.395  -8.982  -1.721
  435    HG1  THR  58           HG1      THR  58  11.330  -8.659  -3.984
  436   1HG2  THR  58          HG21      THR  58   9.108  -6.903  -1.996
  437   2HG2  THR  58          HG22      THR  58   9.259  -7.783  -3.517
  438   3HG2  THR  58          HG23      THR  58  10.259  -6.361  -3.219
  439    H    PHE  59           HN       PHE  59  11.776  -5.474   0.638
  440    HA   PHE  59           HA       PHE  59   9.865  -6.379   2.524
  441   1HB   PHE  59          HB2       PHE  59  10.106  -3.959   3.388
  442   2HB   PHE  59          HB1       PHE  59  11.522  -5.008   3.422
  443    HD1  PHE  59           HD1      PHE  59  13.448  -3.888   3.005
  444    HD2  PHE  59           HD2      PHE  59   9.952  -2.812   0.834
  445    HE1  PHE  59           HE1      PHE  59  14.744  -2.212   1.756
  446    HE2  PHE  59           HE2      PHE  59  11.243  -1.137  -0.422
  447    HZ   PHE  59           HZ       PHE  59  13.642  -0.835   0.039
  448    H    CYS  60           HN       CYS  60   7.823  -5.602   2.993
  449    HA   CYS  60           HA       CYS  60   5.741  -4.748   2.641
  450   1HB   CYS  60          HB2       CYS  60   6.801  -3.107   0.351
  451   2HB   CYS  60          HB1       CYS  60   5.389  -2.803   1.353
  452    H    ILE  61           HN       ILE  61   3.945  -5.223   1.373
  453    HA   ILE  61           HA       ILE  61   4.485  -6.627  -1.154
  454    HB   ILE  61           HB       ILE  61   4.004  -8.357   0.422
  455   1HG1  ILE  61          HG12      ILE  61   1.392  -7.897  -1.005
  456   2HG1  ILE  61          HG11      ILE  61   2.865  -8.326  -1.870
  457   1HG2  ILE  61          HG21      ILE  61   1.938  -8.410   1.749
  458   2HG2  ILE  61          HG22      ILE  61   1.539  -6.793   1.171
  459   3HG2  ILE  61          HG23      ILE  61   2.967  -7.043   2.176
  460   1HD1  ILE  61          HD11      ILE  61   1.427 -10.259  -1.417
  461   2HD1  ILE  61          HD12      ILE  61   1.604  -9.967   0.314
  462   3HD1  ILE  61          HD13      ILE  61   3.011 -10.406  -0.655
  463    H    TYR  62           HN       TYR  62   3.752  -5.269  -2.631
  464    HA   TYR  62           HA       TYR  62   1.617  -3.444  -2.265
  465   1HB   TYR  62          HB2       TYR  62   3.608  -3.510  -3.989
  466   2HB   TYR  62          HB1       TYR  62   2.422  -4.343  -4.992
  467    HD1  TYR  62           HD1      TYR  62  -0.067  -2.971  -4.479
  468    HD2  TYR  62           HD2      TYR  62   3.861  -1.378  -4.743
  469    HE1  TYR  62           HE1      TYR  62  -1.000  -0.779  -5.087
  470    HE2  TYR  62           HE2      TYR  62   2.952   0.814  -5.352
  471    HH   TYR  62           HH       TYR  62   1.123   2.029  -5.594
  472    H    LYS  63           HN       LYS  63  -0.388  -4.072  -1.925
  473    HA   LYS  63           HA       LYS  63  -1.808  -5.421  -4.027
  474   1HB   LYS  63          HB2       LYS  63  -2.816  -7.081  -2.418
  475   2HB   LYS  63          HB1       LYS  63  -1.140  -7.384  -2.846
  476   1HG   LYS  63          HG2       LYS  63  -0.510  -6.226  -0.691
  477   2HG   LYS  63          HG1       LYS  63  -2.223  -6.288  -0.267
  478   1HD   LYS  63          HD2       LYS  63  -2.077  -8.786  -0.737
  479   2HD   LYS  63          HD1       LYS  63  -0.330  -8.582  -0.735
  480   1HE   LYS  63          HE2       LYS  63  -0.416  -7.758   1.546
  481   2HE   LYS  63          HE1       LYS  63  -2.176  -7.861   1.536
  482   1HZ   LYS  63          HZ1       LYS  63  -0.310 -10.155   1.257
  483   2HZ   LYS  63          HZ2       LYS  63  -1.999 -10.253   1.252
  484   3HZ   LYS  63          HZ3       LYS  63  -1.186  -9.759   2.649
  485    H    ARG  64           HN       ARG  64  -3.583  -4.277  -4.296
  486    HA   ARG  64           HA       ARG  64  -4.699  -2.884  -1.960
  487   1HB   ARG  64          HB2       ARG  64  -5.579  -1.283  -3.843
  488   2HB   ARG  64          HB1       ARG  64  -3.953  -1.117  -3.196
  489   1HG   ARG  64          HG2       ARG  64  -3.420  -2.794  -5.192
  490   2HG   ARG  64          HG1       ARG  64  -4.850  -2.006  -5.865
  491   1HD   ARG  64          HD2       ARG  64  -2.444  -0.558  -4.770
  492   2HD   ARG  64          HD1       ARG  64  -2.715  -0.897  -6.481
  493    HE   ARG  64           HE       ARG  64  -4.942   0.457  -5.380
  494   1HH1  ARG  64          HH11      ARG  64  -1.656   0.980  -6.414
  495   2HH1  ARG  64          HH12      ARG  64  -1.909   2.649  -6.804
  496   1HH2  ARG  64          HH21      ARG  64  -5.287   2.646  -5.896
  497   2HH2  ARG  64          HH22      ARG  64  -3.974   3.596  -6.507
  498    H    CYS  65           HN       CYS  65  -6.950  -1.873  -3.469
  499    HA   CYS  65           HA       CYS  65  -8.454  -4.319  -4.066
  500   1HB   CYS  65          HB2       CYS  65  -9.785  -2.183  -2.462
  501   2HB   CYS  65          HB1       CYS  65 -10.098  -3.916  -2.501
  502    H    ARG  66           HN       ARG  66  -9.763  -4.095  -5.825
  503    HA   ARG  66           HA       ARG  66  -9.628  -1.720  -7.325
  504   1HB   ARG  66          HB2       ARG  66 -10.011  -3.833  -8.458
  505   2HB   ARG  66          HB1       ARG  66 -11.512  -4.080  -7.577
  506   1HG   ARG  66          HG2       ARG  66 -11.953  -3.383  -9.854
  507   2HG   ARG  66          HG1       ARG  66 -12.499  -2.153  -8.713
  508   1HD   ARG  66          HD2       ARG  66 -10.414  -0.898  -9.115
  509   2HD   ARG  66          HD1       ARG  66  -9.941  -2.104 -10.310
  510    HE   ARG  66           HE       ARG  66 -12.502  -0.987 -10.876
  511   1HH1  ARG  66          HH11      ARG  66  -9.075  -0.410 -11.132
  512   2HH1  ARG  66          HH12      ARG  66  -9.225   0.656 -12.487
  513   1HH2  ARG  66          HH21      ARG  66 -12.708   0.416 -12.663
  514   2HH2  ARG  66          HH22      ARG  66 -11.289   1.120 -13.362
  515    H    HIS  67           HN       HIS  67 -11.105  -0.090  -7.639
  516    HA   HIS  67           HA       HIS  67 -12.478   0.936  -5.519
  517   1HB   HIS  67          HB2       HIS  67 -11.931   2.013  -7.780
  518   2HB   HIS  67          HB1       HIS  67 -13.446   1.320  -8.347
  519    HD1  HIS  67           HD1      HIS  67 -15.604   2.457  -7.632
  520    HD2  HIS  67           HD2      HIS  67 -12.216   4.094  -5.873
  521    HE1  HIS  67           HE1      HIS  67 -16.376   4.590  -6.541
  522    HE2  HIS  67           HE2      HIS  67 -14.318   5.534  -5.435
  523    HA   PRO  68           HA       PRO  68 -16.099  -1.603  -4.805
  524   1HB   PRO  68          HB2       PRO  68 -17.687   0.367  -3.763
  525   2HB   PRO  68          HB1       PRO  68 -16.454  -0.508  -2.851
  526   1HG   PRO  68          HG2       PRO  68 -16.295   2.189  -4.135
  527   2HG   PRO  68          HG1       PRO  68 -15.698   1.664  -2.548
  528   1HD   PRO  68          HD2       PRO  68 -14.032   1.932  -4.621
  529   2HD   PRO  68          HD1       PRO  68 -13.840   0.603  -3.458
  530    H    GLY  69           HN       GLY  69 -16.379   1.580  -6.295
  531   1HA   GLY  69          HA2       GLY  69 -17.412   1.779  -8.486
  532   2HA   GLY  69          HA1       GLY  69 -18.563   0.543  -7.988
  533    H    GLU  70           HN       GLU  70 -19.800   2.503  -8.934
  534    HA   GLU  70           HA       GLU  70 -20.340   4.586  -6.991
  535   1HB   GLU  70          HB2       GLU  70 -20.278   5.109  -9.434
  536   2HB   GLU  70          HB1       GLU  70 -21.675   4.065  -9.658
  537   1HG   GLU  70          HG2       GLU  70 -23.020   5.515  -8.265
  538   2HG   GLU  70          HG1       GLU  70 -21.619   6.535  -7.940
  539    H    LEU  71           HN       LEU  71 -21.875   4.650  -5.597
  540    HA   LEU  71           HA       LEU  71 -23.798   2.437  -5.546
  541   1HB   LEU  71          HB2       LEU  71 -22.588   2.529  -3.519
  542   2HB   LEU  71          HB1       LEU  71 -22.671   4.277  -3.446
  543    HG   LEU  71           HG       LEU  71 -25.015   4.174  -2.876
  544   1HD1  LEU  71          HD11      LEU  71 -24.680   1.201  -3.180
  545   2HD1  LEU  71          HD12      LEU  71 -25.786   2.259  -4.056
  546   3HD1  LEU  71          HD13      LEU  71 -26.040   1.948  -2.339
  547   1HD2  LEU  71          HD21      LEU  71 -24.828   3.105  -0.671
  548   2HD2  LEU  71          HD22      LEU  71 -23.441   4.121  -1.060
  549   3HD2  LEU  71          HD23      LEU  71 -23.311   2.366  -1.185
  550    H    ARG  72           HN       ARG  72 -25.446   3.061  -6.810
  551    HA   ARG  72           HA       ARG  72 -26.325   5.747  -7.061
  552   1HB   ARG  72          HB2       ARG  72 -26.859   4.177  -8.848
  553   2HB   ARG  72          HB1       ARG  72 -27.721   3.134  -7.725
  554   1HG   ARG  72          HG2       ARG  72 -29.424   4.853  -7.423
  555   2HG   ARG  72          HG1       ARG  72 -28.562   5.906  -8.547
  556   1HD   ARG  72          HD2       ARG  72 -29.765   3.213  -9.181
  557   2HD   ARG  72          HD1       ARG  72 -30.409   4.781  -9.663
  558    HE   ARG  72           HE       ARG  72 -27.893   4.764 -10.691
  559   1HH1  ARG  72          HH11      ARG  72 -30.624   2.610 -10.917
  560   2HH1  ARG  72          HH12      ARG  72 -30.229   2.071 -12.515
  561   1HH2  ARG  72          HH21      ARG  72 -27.365   4.055 -12.793
  562   2HH2  ARG  72          HH22      ARG  72 -28.375   2.887 -13.578
  563    H    ASN  73           HN       ASN  73 -27.565   6.948  -5.914
  564    HA   ASN  73           HA       ASN  73 -28.766   7.698  -4.134
  565   1HB   ASN  73          HB2       ASN  73 -29.876   4.871  -4.034
  566   2HB   ASN  73          HB1       ASN  73 -30.582   6.294  -3.272
  567   1HD2  ASN  73          HD21      ASN  73 -29.961   8.007  -5.556
  568   2HD2  ASN  73          HD22      ASN  73 -31.108   7.599  -6.782
  569    H    GLY  74           HN       GLY  74 -26.225   7.228  -3.618
  570   1HA   GLY  74          HA2       GLY  74 -26.196   6.490  -0.894
  571   2HA   GLY  74          HA1       GLY  74 -25.469   5.225  -1.868
  572    H    GLN  75           HN       GLN  75 -23.812   6.219  -0.111
  573    HA   GLN  75           HA       GLN  75 -22.056   7.967  -1.690
  574   1HB   GLN  75          HB2       GLN  75 -22.500   8.210   1.290
  575   2HB   GLN  75          HB1       GLN  75 -21.397   9.179   0.325
  576   1HG   GLN  75          HG2       GLN  75 -23.324  10.067  -0.931
  577   2HG   GLN  75          HG1       GLN  75 -24.399   9.151   0.125
  578   1HE2  GLN  75          HE21      GLN  75 -25.411  10.996   0.886
  579   2HE2  GLN  75          HE22      GLN  75 -24.640  12.091   1.976
  580    H    VAL  76           HN       VAL  76 -19.968   7.364  -1.762
  581    HA   VAL  76           HA       VAL  76 -19.209   4.992  -0.187
  582    HB   VAL  76           HB       VAL  76 -17.978   6.008  -2.750
  583   1HG1  VAL  76          HG11      VAL  76 -16.808   3.814  -2.724
  584   2HG1  VAL  76          HG12      VAL  76 -17.433   3.544  -1.096
  585   3HG1  VAL  76          HG13      VAL  76 -16.329   4.883  -1.406
  586   1HG2  VAL  76          HG21      VAL  76 -19.704   3.578  -2.288
  587   2HG2  VAL  76          HG22      VAL  76 -19.031   4.122  -3.824
  588   3HG2  VAL  76          HG23      VAL  76 -20.263   5.086  -3.010
  589    H    GLU  77           HN       GLU  77 -18.101   5.565   1.588
  590    HA   GLU  77           HA       GLU  77 -16.533   7.966   1.704
  591   1HB   GLU  77          HB2       GLU  77 -17.757   7.085   3.668
  592   2HB   GLU  77          HB1       GLU  77 -16.695   5.683   3.681
  593   1HG   GLU  77          HG2       GLU  77 -15.907   7.178   5.337
  594   2HG   GLU  77          HG1       GLU  77 -14.773   7.247   3.990
  595    H    ILE  78           HN       ILE  78 -14.725   7.993   0.495
  596    HA   ILE  78           HA       ILE  78 -12.833   5.750   0.807
  597    HB   ILE  78           HB       ILE  78 -13.177   7.578  -1.574
  598   1HG1  ILE  78          HG12      ILE  78 -14.908   5.860  -1.437
  599   2HG1  ILE  78          HG11      ILE  78 -13.799   5.503  -2.757
  600   1HG2  ILE  78          HG21      ILE  78 -11.450   6.172  -2.638
  601   2HG2  ILE  78          HG22      ILE  78 -11.194   5.360  -1.094
  602   3HG2  ILE  78          HG23      ILE  78 -10.837   7.080  -1.255
  603   1HD1  ILE  78          HD11      ILE  78 -12.673   3.849  -1.362
  604   2HD1  ILE  78          HD12      ILE  78 -14.390   3.492  -1.543
  605   3HD1  ILE  78          HD13      ILE  78 -13.790   4.204  -0.044
  606    H    LYS  79           HN       LYS  79 -10.672   6.232   1.206
  607    HA   LYS  79           HA       LYS  79  -9.582   8.841   1.089
  608   1HB   LYS  79          HB2       LYS  79  -9.410   9.331   3.462
  609   2HB   LYS  79          HB1       LYS  79 -11.100   9.195   2.997
  610   1HG   LYS  79          HG2       LYS  79  -9.478   7.062   4.375
  611   2HG   LYS  79          HG1       LYS  79 -10.643   8.132   5.156
  612   1HD   LYS  79          HD2       LYS  79 -12.329   7.182   3.451
  613   2HD   LYS  79          HD1       LYS  79 -11.134   5.898   3.208
  614   1HE   LYS  79          HE2       LYS  79 -11.202   5.402   5.610
  615   2HE   LYS  79          HE1       LYS  79 -12.406   6.669   5.838
  616   1HZ   LYS  79          HZ1       LYS  79 -12.750   4.227   4.184
  617   2HZ   LYS  79          HZ2       LYS  79 -13.904   5.448   4.379
  618   3HZ   LYS  79          HZ3       LYS  79 -13.443   4.502   5.704
  619    H    THR  80           HN       THR  80  -8.953   5.988   0.549
  620    HA   THR  80           HA       THR  80  -6.283   6.047   1.721
  621    HB   THR  80           HB       THR  80  -6.382   3.672   2.374
  622    HG1  THR  80           HG1      THR  80  -9.105   3.507   2.482
  623   1HG2  THR  80          HG21      THR  80  -8.291   5.616   3.649
  624   2HG2  THR  80          HG22      THR  80  -6.684   5.120   4.193
  625   3HG2  THR  80          HG23      THR  80  -8.040   3.999   4.316
  626    H    ASP  81           HN       ASP  81  -7.813   6.202  -0.944
  627    HA   ASP  81           HA       ASP  81  -7.418   5.595  -3.131
  628   1HB   ASP  81          HB2       ASP  81  -4.856   4.623  -1.888
  629   2HB   ASP  81          HB1       ASP  81  -5.152   4.654  -3.624
  630    H    LEU  82           HN       LEU  82  -8.217   3.620  -0.858
  631    HA   LEU  82           HA       LEU  82  -9.063   1.522  -0.703
  632   1HB   LEU  82          HB2       LEU  82  -8.550   1.301  -3.649
  633   2HB   LEU  82          HB1       LEU  82  -9.786   0.477  -2.715
  634    HG   LEU  82           HG       LEU  82 -10.052   3.349  -2.494
  635   1HD1  LEU  82          HD11      LEU  82 -10.109   2.197  -5.275
  636   2HD1  LEU  82          HD12      LEU  82  -9.016   3.442  -4.667
  637   3HD1  LEU  82          HD13      LEU  82 -10.741   3.778  -4.812
  638   1HD2  LEU  82          HD21      LEU  82 -12.323   2.873  -3.156
  639   2HD2  LEU  82          HD22      LEU  82 -11.770   1.707  -1.953
  640   3HD2  LEU  82          HD23      LEU  82 -11.856   1.246  -3.653
  641    H    SER  83           HN       SER  83  -6.575   1.643   0.138
  642    HA   SER  83           HA       SER  83  -5.051  -0.489  -1.165
  643   1HB   SER  83          HB2       SER  83  -3.230   0.132   0.399
  644   2HB   SER  83          HB1       SER  83  -3.783   1.509  -0.555
  645    HG   SER  83           HG       SER  83  -5.270   1.688   1.481
  646    H    PHE  84           HN       PHE  84  -4.855  -2.492  -0.346
  647    HA   PHE  84           HA       PHE  84  -6.593  -3.792   1.170
  648   1HB   PHE  84          HB2       PHE  84  -4.803  -5.013   0.174
  649   2HB   PHE  84          HB1       PHE  84  -3.604  -4.195   1.170
  650    HD1  PHE  84           HD1      PHE  84  -3.046  -4.988   3.319
  651    HD2  PHE  84           HD2      PHE  84  -6.362  -6.648   1.233
  652    HE1  PHE  84           HE1      PHE  84  -3.180  -6.798   4.980
  653    HE2  PHE  84           HE2      PHE  84  -6.503  -8.460   2.890
  654    HZ   PHE  84           HZ       PHE  84  -4.910  -8.537   4.767
  655    H    GLY  85           HN       GLY  85  -7.149  -4.179   3.254
  656   1HA   GLY  85          HA2       GLY  85  -7.048  -4.070   5.572
  657   2HA   GLY  85          HA1       GLY  85  -5.540  -3.179   5.442
  658    H    SER  86           HN       SER  86  -8.705  -2.429   4.003
  659    HA   SER  86           HA       SER  86  -8.929  -0.143   5.811
  660   1HB   SER  86          HB2       SER  86  -9.534   1.341   3.899
  661   2HB   SER  86          HB1       SER  86  -7.849   0.812   3.880
  662    HG   SER  86           HG       SER  86  -8.857   0.630   1.821
  663    H    GLN  87           HN       GLN  87 -10.953   0.721   6.053
  664    HA   GLN  87           HA       GLN  87 -13.159  -0.985   5.107
  665   1HB   GLN  87          HB2       GLN  87 -12.999  -1.387   7.424
  666   2HB   GLN  87          HB1       GLN  87 -12.674   0.300   7.785
  667   1HG   GLN  87          HG2       GLN  87 -15.308  -0.616   6.685
  668   2HG   GLN  87          HG1       GLN  87 -14.954  -0.607   8.413
  669   1HE2  GLN  87          HE21      GLN  87 -13.224   1.771   8.063
  670   2HE2  GLN  87          HE22      GLN  87 -14.303   3.108   7.913
  671    H    ILE  88           HN       ILE  88 -14.739   0.008   3.996
  672    HA   ILE  88           HA       ILE  88 -14.912   2.946   4.155
  673    HB   ILE  88           HB       ILE  88 -15.479   3.033   1.773
  674   1HG1  ILE  88          HG12      ILE  88 -14.701   0.108   1.703
  675   2HG1  ILE  88          HG11      ILE  88 -16.352   0.708   1.586
  676   1HG2  ILE  88          HG21      ILE  88 -13.188   3.422   2.442
  677   2HG2  ILE  88          HG22      ILE  88 -13.223   2.571   0.897
  678   3HG2  ILE  88          HG23      ILE  88 -12.847   1.692   2.379
  679   1HD1  ILE  88          HD11      ILE  88 -15.726   1.919  -0.469
  680   2HD1  ILE  88          HD12      ILE  88 -15.533   0.172  -0.603
  681   3HD1  ILE  88          HD13      ILE  88 -14.119   1.200  -0.366
  682    H    GLU  89           HN       GLU  89 -16.836   3.661   4.757
  683    HA   GLU  89           HA       GLU  89 -19.047   1.820   4.984
  684   1HB   GLU  89          HB2       GLU  89 -19.448   4.716   5.506
  685   2HB   GLU  89          HB1       GLU  89 -20.000   3.322   6.421
  686   1HG   GLU  89          HG2       GLU  89 -17.774   3.007   7.329
  687   2HG   GLU  89          HG1       GLU  89 -17.185   4.371   6.380
  688    H    PHE  90           HN       PHE  90 -21.274   2.847   4.459
  689    HA   PHE  90           HA       PHE  90 -21.274   4.229   1.883
  690   1HB   PHE  90          HB2       PHE  90 -22.825   1.677   2.390
  691   2HB   PHE  90          HB1       PHE  90 -22.820   2.619   0.905
  692    HD1  PHE  90           HD1      PHE  90 -20.954   2.521  -0.630
  693    HD2  PHE  90           HD2      PHE  90 -20.937   0.279   2.993
  694    HE1  PHE  90           HE1      PHE  90 -19.075   1.177  -1.473
  695    HE2  PHE  90           HE2      PHE  90 -19.057  -1.065   2.152
  696    HZ   PHE  90           HZ       PHE  90 -18.123  -0.617  -0.082
  697    H    SER  91           HN       SER  91 -23.073   5.575   1.624
  698    HA   SER  91           HA       SER  91 -25.050   5.491   3.804
  699   1HB   SER  91          HB2       SER  91 -23.817   7.982   2.619
  700   2HB   SER  91          HB1       SER  91 -25.074   7.938   3.855
  701    HG   SER  91           HG       SER  91 -22.439   7.803   4.178
  702    H    CYS  92           HN       CYS  92 -26.973   5.072   3.017
  703    HA   CYS  92           HA       CYS  92 -27.591   5.579   0.236
  704   1HB   CYS  92          HB2       CYS  92 -29.264   4.469   2.501
  705   2HB   CYS  92          HB1       CYS  92 -29.869   4.696   0.864
  706    H    SER  93           HN       SER  93 -28.527   7.338  -0.564
  707    HA   SER  93           HA       SER  93 -28.651   9.728   0.740
  708   1HB   SER  93          HB2       SER  93 -30.222  10.447  -1.106
  709   2HB   SER  93          HB1       SER  93 -28.706   9.708  -1.631
  710    HG   SER  93           HG       SER  93 -29.832   7.775  -1.977
  711    H    GLU  94           HN       GLU  94 -30.616  11.142   0.829
  712    HA   GLU  94           HA       GLU  94 -32.099  10.875   3.022
  713   1HB   GLU  94          HB2       GLU  94 -32.204  12.886   1.773
  714   2HB   GLU  94          HB1       GLU  94 -32.907  12.067   0.386
  715   1HG   GLU  94          HG2       GLU  94 -34.586  13.361   1.506
  716   2HG   GLU  94          HG1       GLU  94 -34.940  11.643   1.687
  717    H    GLY  95           HN       GLY  95 -33.895  10.247   0.039
  718   1HA   GLY  95          HA2       GLY  95 -35.915   8.846   1.457
  719   2HA   GLY  95          HA1       GLY  95 -35.768   8.980  -0.281
  720    H    PHE  96           HN       PHE  96 -33.114   7.577   1.506
  721    HA   PHE  96           HA       PHE  96 -34.133   4.864   1.172
  722   1HB   PHE  96          HB2       PHE  96 -31.553   5.703  -0.170
  723   2HB   PHE  96          HB1       PHE  96 -32.340   4.133  -0.262
  724    HD1  PHE  96           HD1      PHE  96 -34.486   3.918  -1.517
  725    HD2  PHE  96           HD2      PHE  96 -32.107   7.439  -1.661
  726    HE1  PHE  96           HE1      PHE  96 -35.666   4.620  -3.554
  727    HE2  PHE  96           HE2      PHE  96 -33.278   8.150  -3.705
  728    HZ   PHE  96           HZ       PHE  96 -35.060   6.740  -4.656
  729    H    PHE  97           HN       PHE  97 -32.881   3.253   2.183
  730    HA   PHE  97           HA       PHE  97 -30.857   4.255   4.070
  731   1HB   PHE  97          HB2       PHE  97 -31.696   2.890   5.817
  732   2HB   PHE  97          HB1       PHE  97 -33.101   3.686   5.127
  733    HD1  PHE  97           HD1      PHE  97 -31.761   0.629   6.192
  734    HD2  PHE  97           HD2      PHE  97 -34.365   2.322   3.281
  735    HE1  PHE  97           HE1      PHE  97 -32.864  -1.552   5.916
  736    HE2  PHE  97           HE2      PHE  97 -35.471   0.141   2.998
  737    HZ   PHE  97           HZ       PHE  97 -34.723  -1.798   4.319
  738    H    LEU  98           HN       LEU  98 -29.517   2.405   4.957
  739    HA   LEU  98           HA       LEU  98 -28.489   1.001   2.637
  740   1HB   LEU  98          HB2       LEU  98 -27.062   2.301   4.263
  741   2HB   LEU  98          HB1       LEU  98 -27.325   0.993   5.404
  742    HG   LEU  98           HG       LEU  98 -26.271   0.352   2.681
  743   1HD1  LEU  98          HD11      LEU  98 -23.993   0.705   3.452
  744   2HD1  LEU  98          HD12      LEU  98 -24.600   1.378   4.965
  745   3HD1  LEU  98          HD13      LEU  98 -24.904   2.214   3.443
  746   1HD2  LEU  98          HD21      LEU  98 -26.903  -1.450   4.197
  747   2HD2  LEU  98          HD22      LEU  98 -25.801  -0.815   5.418
  748   3HD2  LEU  98          HD23      LEU  98 -25.164  -1.444   3.898
  749    H    ILE  99           HN       ILE  99 -28.299  -1.109   2.371
  750    HA   ILE  99           HA       ILE  99 -28.958  -3.067   4.401
  751    HB   ILE  99           HB       ILE  99 -30.438  -3.635   1.951
  752   1HG1  ILE  99          HG12      ILE  99 -31.592  -1.478   3.693
  753   2HG1  ILE  99          HG11      ILE  99 -30.682  -1.109   2.235
  754   1HG2  ILE  99          HG21      ILE  99 -30.628  -4.987   3.943
  755   2HG2  ILE  99          HG22      ILE  99 -32.188  -4.261   3.558
  756   3HG2  ILE  99          HG23      ILE  99 -31.206  -3.597   4.864
  757   1HD1  ILE  99          HD11      ILE  99 -32.295  -2.435   0.930
  758   2HD1  ILE  99          HD12      ILE  99 -33.024  -1.052   1.746
  759   3HD1  ILE  99          HD13      ILE  99 -33.240  -2.676   2.400
  760    H    GLY 100           HN       GLY 100 -27.018  -3.914   4.140
  761   1HA   GLY 100          HA2       GLY 100 -26.470  -5.844   2.231
  762   2HA   GLY 100          HA1       GLY 100 -25.690  -4.360   1.681
  763    H    SER 101           HN       SER 101 -24.616  -3.178   3.592
  764    HA   SER 101           HA       SER 101 -23.475  -4.347   5.786
  765   1HB   SER 101          HB2       SER 101 -22.479  -6.021   4.238
  766   2HB   SER 101          HB1       SER 101 -21.700  -4.713   3.349
  767    HG   SER 101           HG       SER 101 -20.776  -5.981   5.454
  768    H    THR 102           HN       THR 102 -23.319  -2.344   6.703
  769    HA   THR 102           HA       THR 102 -22.661  -0.029   5.191
  770    HB   THR 102           HB       THR 102 -22.719   1.182   7.310
  771    HG1  THR 102           HG1      THR 102 -22.113   0.123   9.030
  772   1HG2  THR 102          HG21      THR 102 -24.866   0.690   6.309
  773   2HG2  THR 102          HG22      THR 102 -24.996   0.563   8.064
  774   3HG2  THR 102          HG23      THR 102 -24.896  -0.896   7.079
  775    H    THR 103           HN       THR 103 -20.632  -2.281   5.440
  776    HA   THR 103           HA       THR 103 -18.353  -0.557   5.880
  777    HB   THR 103           HB       THR 103 -17.193  -2.304   7.223
  778    HG1  THR 103           HG1      THR 103 -19.094  -3.582   8.384
  779   1HG2  THR 103          HG21      THR 103 -18.204  -1.693   9.347
  780   2HG2  THR 103          HG22      THR 103 -19.673  -1.179   8.515
  781   3HG2  THR 103          HG23      THR 103 -18.164  -0.300   8.264
  782    H    SER 104           HN       SER 104 -16.463  -1.353   4.789
  783    HA   SER 104           HA       SER 104 -16.759  -3.816   3.278
  784   1HB   SER 104          HB2       SER 104 -17.598  -1.989   1.795
  785   2HB   SER 104          HB1       SER 104 -16.041  -1.180   1.965
  786    HG   SER 104           HG       SER 104 -16.521  -3.730   0.820
  787    H    ARG 105           HN       ARG 105 -15.013  -4.929   3.716
  788    HA   ARG 105           HA       ARG 105 -12.531  -3.516   4.428
  789   1HB   ARG 105          HB2       ARG 105 -13.310  -6.383   4.968
  790   2HB   ARG 105          HB1       ARG 105 -11.879  -5.565   5.571
  791   1HG   ARG 105          HG2       ARG 105 -14.565  -4.441   6.186
  792   2HG   ARG 105          HG1       ARG 105 -13.995  -5.854   7.073
  793   1HD   ARG 105          HD2       ARG 105 -12.547  -3.225   6.820
  794   2HD   ARG 105          HD1       ARG 105 -13.452  -3.766   8.233
  795    HE   ARG 105           HE       ARG 105 -11.371  -5.576   7.426
  796   1HH1  ARG 105          HH11      ARG 105 -12.133  -2.746   9.312
  797   2HH1  ARG 105          HH12      ARG 105 -10.786  -2.943  10.383
  798   1HH2  ARG 105          HH21      ARG 105  -9.596  -5.835   8.830
  799   2HH2  ARG 105          HH22      ARG 105  -9.348  -4.695  10.109
  800    H    CYS 106           HN       CYS 106 -10.576  -5.196   4.023
  801    HA   CYS 106           HA       CYS 106 -10.768  -6.072   1.223
  802   1HB   CYS 106          HB2       CYS 106  -8.728  -4.279   2.490
  803   2HB   CYS 106          HB1       CYS 106  -8.292  -5.281   1.110
  804    H    GLU 107           HN       GLU 107 -10.344  -8.130   1.049
  805    HA   GLU 107           HA       GLU 107  -8.501  -9.406   2.955
  806   1HB   GLU 107          HB2       GLU 107 -10.844 -10.151   3.158
  807   2HB   GLU 107          HB1       GLU 107 -10.848 -10.598   1.458
  808   1HG   GLU 107          HG2       GLU 107 -10.592 -12.563   2.786
  809   2HG   GLU 107          HG1       GLU 107  -9.085 -12.256   1.924
  810    H    VAL 108           HN       VAL 108  -7.431 -11.405   1.982
  811    HA   VAL 108           HA       VAL 108  -6.876 -10.895  -0.863
  812    HB   VAL 108           HB       VAL 108  -4.829 -11.615   1.231
  813   1HG1  VAL 108          HG11      VAL 108  -4.537 -12.778  -0.970
  814   2HG1  VAL 108          HG12      VAL 108  -3.220 -11.680  -0.545
  815   3HG1  VAL 108          HG13      VAL 108  -4.437 -11.184  -1.724
  816   1HG2  VAL 108          HG21      VAL 108  -5.638  -9.211   0.993
  817   2HG2  VAL 108          HG22      VAL 108  -4.876  -9.240  -0.601
  818   3HG2  VAL 108          HG23      VAL 108  -3.901  -9.490   0.849
  819    H    GLN 109           HN       GLN 109  -7.151 -12.479  -2.167
  820    HA   GLN 109           HA       GLN 109  -7.090 -15.236  -1.136
  821   1HB   GLN 109          HB2       GLN 109  -8.610 -14.486  -3.604
  822   2HB   GLN 109          HB1       GLN 109  -8.904 -15.801  -2.474
  823   1HG   GLN 109          HG2       GLN 109  -9.738 -14.232  -0.823
  824   2HG   GLN 109          HG1       GLN 109  -9.374 -12.882  -1.896
  825   1HE2  GLN 109          HE21      GLN 109 -11.917 -13.585  -0.758
  826   2HE2  GLN 109          HE22      GLN 109 -12.987 -13.902  -2.076
  827    H    ASP 110           HN       ASP 110  -5.024 -15.808  -1.647
  828    HA   ASP 110           HA       ASP 110  -3.231 -16.431  -2.889
  829   1HB   ASP 110          HB2       ASP 110  -5.459 -16.771  -4.881
  830   2HB   ASP 110          HB1       ASP 110  -3.795 -17.223  -5.249
  831    H    ARG 111           HN       ARG 111  -4.469 -15.354  -5.899
  832    HA   ARG 111           HA       ARG 111  -2.476 -13.230  -5.941
  833   1HB   ARG 111          HB2       ARG 111  -2.709 -13.329  -8.395
  834   2HB   ARG 111          HB1       ARG 111  -2.260 -14.882  -7.704
  835   1HG   ARG 111          HG2       ARG 111  -4.531 -15.676  -7.913
  836   2HG   ARG 111          HG1       ARG 111  -5.056 -14.095  -8.497
  837   1HD   ARG 111          HD2       ARG 111  -3.064 -15.899  -9.869
  838   2HD   ARG 111          HD1       ARG 111  -4.756 -15.710 -10.327
  839    HE   ARG 111           HE       ARG 111  -3.332 -13.226 -10.276
  840   1HH1  ARG 111          HH11      ARG 111  -4.022 -16.056 -12.190
  841   2HH1  ARG 111          HH12      ARG 111  -3.740 -15.260 -13.702
  842   1HH2  ARG 111          HH21      ARG 111  -2.959 -12.171 -12.260
  843   2HH2  ARG 111          HH22      ARG 111  -3.139 -13.050 -13.741
  844    H    GLY 112           HN       GLY 112  -5.239 -13.067  -4.748
  845   1HA   GLY 112          HA2       GLY 112  -6.012 -10.615  -6.169
  846   2HA   GLY 112          HA1       GLY 112  -7.241 -11.811  -5.788
  847    H    VAL 113           HN       VAL 113  -7.534  -9.257  -4.905
  848    HA   VAL 113           HA       VAL 113  -7.726  -9.626  -2.102
  849    HB   VAL 113           HB       VAL 113  -5.486  -9.151  -1.809
  850   1HG1  VAL 113          HG11      VAL 113  -4.253  -7.426  -3.083
  851   2HG1  VAL 113          HG12      VAL 113  -5.719  -7.110  -4.015
  852   3HG1  VAL 113          HG13      VAL 113  -4.928  -8.688  -4.117
  853   1HG2  VAL 113          HG21      VAL 113  -6.765  -7.634  -0.435
  854   2HG2  VAL 113          HG22      VAL 113  -6.799  -6.447  -1.738
  855   3HG2  VAL 113          HG23      VAL 113  -5.270  -6.861  -0.965
  856    H    GLY 114           HN       GLY 114  -8.714  -7.871  -0.982
  857   1HA   GLY 114          HA2       GLY 114  -9.288  -5.480  -1.260
  858   2HA   GLY 114          HA1       GLY 114  -9.913  -5.935  -2.832
  859    H    TRP 115           HN       TRP 115 -11.881  -4.986  -2.203
  860    HA   TRP 115           HA       TRP 115 -13.357  -5.719   0.072
  861   1HB   TRP 115          HB2       TRP 115 -14.747  -4.853  -2.426
  862   2HB   TRP 115          HB1       TRP 115 -15.050  -4.382  -0.756
  863    HD1  TRP 115           HD1      TRP 115 -13.339  -3.244  -3.852
  864    HE1  TRP 115           HE1      TRP 115 -12.005  -1.093  -3.397
  865    HE3  TRP 115           HE3      TRP 115 -13.548  -3.221   1.256
  866    HZ2  TRP 115           HZ2      TRP 115 -11.152   0.414  -1.172
  867    HZ3  TRP 115           HZ3      TRP 115 -12.445  -1.388   2.470
  868    HH2  TRP 115           HH2      TRP 115 -11.273   0.392   1.280
  869    H    SER 116           HN       SER 116 -14.813  -7.275   0.483
  870    HA   SER 116           HA       SER 116 -14.907  -9.542  -1.302
  871   1HB   SER 116          HB2       SER 116 -16.348  -9.128   1.332
  872   2HB   SER 116          HB1       SER 116 -16.100 -10.661   0.494
  873    HG   SER 116           HG       SER 116 -13.944  -9.032   1.323
  874    H    HIS 117           HN       HIS 117 -16.992  -6.931  -0.263
  875    HA   HIS 117           HA       HIS 117 -18.740  -7.263  -2.499
  876   1HB   HIS 117          HB2       HIS 117 -19.646  -8.990  -0.950
  877   2HB   HIS 117          HB1       HIS 117 -19.928  -7.727   0.245
  878    HD1  HIS 117           HD1      HIS 117 -22.012  -6.316  -0.011
  879    HD2  HIS 117           HD2      HIS 117 -21.360  -8.853  -3.236
  880    HE1  HIS 117           HE1      HIS 117 -24.108  -6.196  -1.396
  881    HE2  HIS 117           HE2      HIS 117 -23.647  -7.656  -3.396
  882    HA   PRO 118           HA       PRO 118 -18.880  -2.986  -1.073
  883   1HB   PRO 118          HB2       PRO 118 -18.565  -1.864  -3.497
  884   2HB   PRO 118          HB1       PRO 118 -17.219  -2.589  -2.615
  885   1HG   PRO 118          HG2       PRO 118 -18.604  -3.545  -5.022
  886   2HG   PRO 118          HG1       PRO 118 -17.012  -3.992  -4.394
  887   1HD   PRO 118          HD2       PRO 118 -19.532  -5.394  -4.112
  888   2HD   PRO 118          HD1       PRO 118 -17.908  -5.922  -3.627
  889    H    LEU 119           HN       LEU 119 -19.971  -1.007  -2.521
  890    HA   LEU 119           HA       LEU 119 -22.067  -0.016  -2.417
  891   1HB   LEU 119          HB2       LEU 119 -22.346  -1.734  -4.854
  892   2HB   LEU 119          HB1       LEU 119 -22.923  -0.107  -4.589
  893    HG   LEU 119           HG       LEU 119 -20.067  -0.956  -5.010
  894   1HD1  LEU 119          HD11      LEU 119 -20.216   0.510  -6.957
  895   2HD1  LEU 119          HD12      LEU 119 -21.917   0.804  -6.593
  896   3HD1  LEU 119          HD13      LEU 119 -21.378  -0.814  -7.035
  897   1HD2  LEU 119          HD21      LEU 119 -19.476   1.395  -4.783
  898   2HD2  LEU 119          HD22      LEU 119 -20.160   0.766  -3.285
  899   3HD2  LEU 119          HD23      LEU 119 -21.140   1.779  -4.346
  900    HA   PRO 120           HA       PRO 120 -24.831  -3.153  -0.621
  901   1HB   PRO 120          HB2       PRO 120 -26.121  -1.466   1.037
  902   2HB   PRO 120          HB1       PRO 120 -24.514  -2.100   1.410
  903   1HG   PRO 120          HG2       PRO 120 -25.287   0.561   0.272
  904   2HG   PRO 120          HG1       PRO 120 -24.099   0.189   1.534
  905   1HD   PRO 120          HD2       PRO 120 -23.419   0.671  -1.060
  906   2HD   PRO 120          HD1       PRO 120 -22.478  -0.386   0.011
  907    H    GLN 121           HN       GLN 121 -27.389  -2.548   0.025
  908    HA   GLN 121           HA       GLN 121 -28.553  -1.761  -2.558
  909   1HB   GLN 121          HB2       GLN 121 -28.993  -4.060  -1.532
  910   2HB   GLN 121          HB1       GLN 121 -29.941  -3.222  -0.316
  911   1HG   GLN 121          HG2       GLN 121 -31.554  -3.851  -1.816
  912   2HG   GLN 121          HG1       GLN 121 -31.192  -2.206  -2.342
  913   1HE2  GLN 121          HE21      GLN 121 -30.909  -5.579  -3.070
  914   2HE2  GLN 121          HE22      GLN 121 -30.407  -5.398  -4.713
  915    H    CYS 122           HN       CYS 122 -29.393   0.241  -2.657
  916    HA   CYS 122           HA       CYS 122 -30.356   1.452  -0.161
  917   1HB   CYS 122          HB2       CYS 122 -29.568   2.690  -2.803
  918   2HB   CYS 122          HB1       CYS 122 -30.293   3.597  -1.479
  919    H    GLU 123           HN       GLU 123 -32.447   1.081   0.188
  920    HA   GLU 123           HA       GLU 123 -34.362   1.389  -2.045
  921   1HB   GLU 123          HB2       GLU 123 -34.178  -0.970  -1.340
  922   2HB   GLU 123          HB1       GLU 123 -34.527  -0.496   0.316
  923   1HG   GLU 123          HG2       GLU 123 -36.737   0.242  -0.322
  924   2HG   GLU 123          HG1       GLU 123 -36.394  -0.118  -2.013
  925    H    ILE 124           HN       ILE 124 -36.190   2.469  -1.655
  926    HA   ILE 124           HA       ILE 124 -36.047   4.530   0.294
  927    HB   ILE 124           HB       ILE 124 -37.047   4.936  -1.879
  928   1HG1  ILE 124          HG12      ILE 124 -39.156   5.128   0.276
  929   2HG1  ILE 124          HG11      ILE 124 -37.804   6.241   0.114
  930   1HG2  ILE 124          HG21      ILE 124 -39.238   3.983  -2.463
  931   2HG2  ILE 124          HG22      ILE 124 -39.166   2.970  -1.021
  932   3HG2  ILE 124          HG23      ILE 124 -37.986   2.749  -2.314
  933   1HD1  ILE 124          HD11      ILE 124 -38.624   6.930  -2.069
  934   2HD1  ILE 124          HD12      ILE 124 -39.845   7.170  -0.820
  935   3HD1  ILE 124          HD13      ILE 124 -39.971   5.801  -1.926
  936    H    LEU 125           HN       LEU 125 -37.169   4.856   2.141
  937    HA   LEU 125           HA       LEU 125 -38.019   2.626   3.632
  938   1HB   LEU 125          HB2       LEU 125 -38.568   5.557   4.106
  939   2HB   LEU 125          HB1       LEU 125 -38.769   4.281   5.291
  940    HG   LEU 125           HG       LEU 125 -36.133   5.056   4.036
  941   1HD1  LEU 125          HD11      LEU 125 -35.622   6.051   6.218
  942   2HD1  LEU 125          HD12      LEU 125 -37.272   5.722   6.745
  943   3HD1  LEU 125          HD13      LEU 125 -36.977   6.855   5.426
  944   1HD2  LEU 125          HD21      LEU 125 -36.308   2.705   4.789
  945   2HD2  LEU 125          HD22      LEU 125 -36.711   3.286   6.405
  946   3HD2  LEU 125          HD23      LEU 125 -35.131   3.644   5.707
  947    H    GLU 126           HN       GLU 126 -39.938   5.382   2.426
  948    HA   GLU 126           HA       GLU 126 -42.234   3.564   2.144
  949   1HB   GLU 126          HB2       GLU 126 -42.215   6.325   3.363
  950   2HB   GLU 126          HB1       GLU 126 -43.686   5.519   2.835
  951   1HG   GLU 126          HG2       GLU 126 -41.783   4.457   4.911
  952   2HG   GLU 126          HG1       GLU 126 -43.287   5.313   5.250
  953    H    HIS 127           HN       HIS 127 -42.967   3.535   0.134
  954    HA   HIS 127           HA       HIS 127 -42.602   5.935  -1.538
  955   1HB   HIS 127          HB2       HIS 127 -41.066   4.207  -2.276
  956   2HB   HIS 127          HB1       HIS 127 -42.374   3.030  -2.349
  957    HD1  HIS 127           HD1      HIS 127 -43.803   2.991  -4.442
  958    HD2  HIS 127           HD2      HIS 127 -41.093   6.140  -4.374
  959    HE1  HIS 127           HE1      HIS 127 -43.856   3.973  -6.756
  960    HE2  HIS 127           HE2      HIS 127 -42.293   5.946  -6.657
  961    H    HIS 128           HN       HIS 128 -44.258   6.487  -2.946
  962    HA   HIS 128           HA       HIS 128 -46.820   5.138  -2.423
  963   1HB   HIS 128          HB2       HIS 128 -46.782   7.480  -1.736
  964   2HB   HIS 128          HB1       HIS 128 -46.265   7.966  -3.348
  965    HD1  HIS 128           HD1      HIS 128 -48.073   8.555  -4.951
  966    HD2  HIS 128           HD2      HIS 128 -49.491   6.326  -1.744
  967    HE1  HIS 128           HE1      HIS 128 -50.573   8.510  -5.217
  968    HE2  HIS 128           HE2      HIS 128 -51.402   7.084  -3.314
  969    H    HIS 129           HN       HIS 129 -45.999   7.326  -5.074
  970    HA   HIS 129           HA       HIS 129 -45.631   5.422  -7.092
  971   1HB   HIS 129          HB2       HIS 129 -47.953   4.784  -6.630
  972   2HB   HIS 129          HB1       HIS 129 -48.470   6.449  -6.884
  973    HD1  HIS 129           HD1      HIS 129 -47.023   3.526  -8.797
  974    HD2  HIS 129           HD2      HIS 129 -48.999   7.116  -9.487
  975    HE1  HIS 129           HE1      HIS 129 -47.574   3.529 -11.251
  976    HE2  HIS 129           HE2      HIS 129 -48.820   5.684 -11.635
  977    H    HIS 130           HN       HIS 130 -45.394   6.354  -9.164
  978    HA   HIS 130           HA       HIS 130 -44.768   7.983 -10.619
  979   1HB   HIS 130          HB2       HIS 130 -47.203   8.522 -10.425
  980   2HB   HIS 130          HB1       HIS 130 -46.798   9.693  -9.173
  981    HD1  HIS 130           HD1      HIS 130 -46.913   9.239 -12.827
  982    HD2  HIS 130           HD2      HIS 130 -45.341  11.974 -10.123
  983    HE1  HIS 130           HE1      HIS 130 -46.350  11.279 -14.185
  984    HE2  HIS 130           HE2      HIS 130 -45.337  12.895 -12.539
  985    H    HIS 131           HN       HIS 131 -42.681   8.371 -10.050
  986    HA   HIS 131           HA       HIS 131 -40.870   9.537  -9.331
  987   1HB   HIS 131          HB2       HIS 131 -42.167  11.479 -10.215
  988   2HB   HIS 131          HB1       HIS 131 -42.842  11.713  -8.605
  989    HD1  HIS 131           HD1      HIS 131 -39.879  12.438 -10.665
  990    HD2  HIS 131           HD2      HIS 131 -40.925  12.584  -6.647
  991    HE1  HIS 131           HE1      HIS 131 -38.114  13.850  -9.562
  992    HE2  HIS 131           HE2      HIS 131 -38.817  13.997  -7.147
  993    H    HIS 132           HN       HIS 132 -43.177  10.895  -7.004
  994    HA   HIS 132           HA       HIS 132 -41.555   9.748  -4.846
  995   1HB   HIS 132          HB2       HIS 132 -42.861  11.439  -3.431
  996   2HB   HIS 132          HB1       HIS 132 -41.686  12.085  -4.571
  997    HD1  HIS 132           HD1      HIS 132 -45.296  12.068  -3.768
  998    HD2  HIS 132           HD2      HIS 132 -42.825  13.380  -6.840
  999    HE1  HIS 132           HE1      HIS 132 -46.709  13.624  -5.148
 1000    HE2  HIS 132           HE2      HIS 132 -45.229  14.305  -7.071
  Start of MODEL    8
    1   1H    MET   0           HT1      MET   0  36.341  -2.827  -2.699
    2   2H    MET   0           HT2      MET   0  35.233  -2.884  -1.423
    3   3H    MET   0           HT3      MET   0  35.610  -1.404  -2.149
    4    HA   MET   0           HA       MET   0  34.576  -2.028  -4.178
    5   1HB   MET   0          HB2       MET   0  35.169  -4.392  -4.157
    6   2HB   MET   0          HB1       MET   0  34.095  -4.675  -2.794
    7   1HG   MET   0          HG2       MET   0  32.170  -4.165  -4.150
    8   2HG   MET   0          HG1       MET   0  33.205  -3.741  -5.512
    9   1HE   MET   0          HE1       MET   0  34.816  -7.206  -6.391
   10   2HE   MET   0          HE2       MET   0  35.462  -6.110  -5.171
   11   3HE   MET   0          HE3       MET   0  34.829  -5.467  -6.687
   12    H    ASN   1           HN       ASN   1  33.099  -0.481  -3.842
   13    HA   ASN   1           HA       ASN   1  31.197  -0.693  -1.663
   14   1HB   ASN   1          HB2       ASN   1  31.983   1.422  -3.607
   15   2HB   ASN   1          HB1       ASN   1  30.361   1.501  -2.923
   16   1HD2  ASN   1          HD21      ASN   1  30.107   1.802  -0.718
   17   2HD2  ASN   1          HD22      ASN   1  31.377   2.414   0.280
   18    H    CYS   2           HN       CYS   2  28.862   0.122  -2.385
   19    HA   CYS   2           HA       CYS   2  27.925  -1.939  -4.213
   20   1HB   CYS   2          HB2       CYS   2  25.749  -0.475  -3.180
   21   2HB   CYS   2          HB1       CYS   2  26.278  -2.091  -2.719
   22    H    GLY   3           HN       GLY   3  28.469   1.439  -4.260
   23   1HA   GLY   3          HA2       GLY   3  28.263   2.858  -6.103
   24   2HA   GLY   3          HA1       GLY   3  27.333   1.611  -6.927
   25    HA   PRO   4           HA       PRO   4  24.768   5.290  -4.978
   26   1HB   PRO   4          HB2       PRO   4  24.106   5.474  -7.887
   27   2HB   PRO   4          HB1       PRO   4  24.215   6.754  -6.670
   28   1HG   PRO   4          HG2       PRO   4  26.192   6.395  -8.413
   29   2HG   PRO   4          HG1       PRO   4  26.545   6.773  -6.718
   30   1HD   PRO   4          HD2       PRO   4  26.761   4.172  -8.167
   31   2HD   PRO   4          HD1       PRO   4  27.774   4.827  -6.863
   32    HA   PRO   5           HA       PRO   5  21.700   2.035  -4.643
   33   1HB   PRO   5          HB2       PRO   5  20.170   4.388  -3.626
   34   2HB   PRO   5          HB1       PRO   5  20.347   2.774  -2.928
   35   1HG   PRO   5          HG2       PRO   5  21.702   4.836  -1.935
   36   2HG   PRO   5          HG1       PRO   5  22.450   3.234  -2.066
   37   1HD   PRO   5          HD2       PRO   5  22.880   5.670  -3.730
   38   2HD   PRO   5          HD1       PRO   5  24.025   4.393  -3.274
   39    HA   PRO   6           HA       PRO   6  19.039   2.857  -8.095
   40   1HB   PRO   6          HB2       PRO   6  17.229   0.784  -7.404
   41   2HB   PRO   6          HB1       PRO   6  18.621   0.668  -8.479
   42   1HG   PRO   6          HG2       PRO   6  18.342  -0.606  -6.013
   43   2HG   PRO   6          HG1       PRO   6  19.860  -0.389  -6.904
   44   1HD   PRO   6          HD2       PRO   6  18.781   1.156  -4.598
   45   2HD   PRO   6          HD1       PRO   6  20.464   0.760  -5.011
   46    H    THR   7           HN       THR   7  16.661   2.749  -8.596
   47    HA   THR   7           HA       THR   7  15.175   4.467  -6.714
   48    HB   THR   7           HB       THR   7  14.662   4.047  -9.666
   49    HG1  THR   7           HG1      THR   7  15.916   5.778 -10.033
   50   1HG2  THR   7          HG21      THR   7  13.635   6.086  -7.688
   51   2HG2  THR   7          HG22      THR   7  12.700   4.801  -8.451
   52   3HG2  THR   7          HG23      THR   7  13.338   6.126  -9.425
   53    H    LEU   8           HN       LEU   8  14.851   2.099  -5.675
   54    HA   LEU   8           HA       LEU   8  13.587   0.007  -6.964
   55   1HB   LEU   8          HB2       LEU   8  12.644   0.578  -4.233
   56   2HB   LEU   8          HB1       LEU   8  13.325  -0.893  -4.903
   57    HG   LEU   8           HG       LEU   8  14.973   1.525  -4.194
   58   1HD1  LEU   8          HD11      LEU   8  15.658   0.182  -2.207
   59   2HD1  LEU   8          HD12      LEU   8  14.338  -0.930  -2.570
   60   3HD1  LEU   8          HD13      LEU   8  13.990   0.749  -2.159
   61   1HD2  LEU   8          HD21      LEU   8  16.845   0.020  -4.353
   62   2HD2  LEU   8          HD22      LEU   8  15.928  -0.014  -5.859
   63   3HD2  LEU   8          HD23      LEU   8  15.769  -1.333  -4.699
   64    H    SER   9           HN       SER   9  11.659  -0.130  -7.949
   65    HA   SER   9           HA       SER   9   9.808   2.017  -7.887
   66   1HB   SER   9          HB2       SER   9   9.457  -0.823  -8.893
   67   2HB   SER   9          HB1       SER   9   8.321   0.493  -9.185
   68    HG   SER   9           HG       SER   9  10.795   1.270  -9.865
   69    H    PHE  10           HN       PHE  10  10.491  -0.236  -5.615
   70    HA   PHE  10           HA       PHE  10   7.785  -0.126  -4.460
   71   1HB   PHE  10          HB2       PHE  10   8.576  -2.206  -3.170
   72   2HB   PHE  10          HB1       PHE  10   8.186  -2.414  -4.874
   73    HD1  PHE  10           HD1      PHE  10  10.768  -2.578  -2.354
   74    HD2  PHE  10           HD2      PHE  10  10.004  -2.616  -6.541
   75    HE1  PHE  10           HE1      PHE  10  13.007  -3.517  -2.752
   76    HE2  PHE  10           HE2      PHE  10  12.242  -3.555  -6.946
   77    HZ   PHE  10           HZ       PHE  10  13.749  -4.003  -5.048
   78    H    ALA  11           HN       ALA  11   9.412   1.992  -4.117
   79    HA   ALA  11           HA       ALA  11   9.440   2.782  -1.616
   80   1HB   ALA  11          HB1       ALA  11  11.579   2.261  -0.552
   81   2HB   ALA  11          HB2       ALA  11  12.031   1.251  -1.924
   82   3HB   ALA  11          HB3       ALA  11  10.680   0.784  -0.891
   83    H    ALA  12           HN       ALA  12  10.517   4.713  -1.278
   84    HA   ALA  12           HA       ALA  12  12.322   5.577  -3.442
   85   1HB   ALA  12          HB1       ALA  12  11.291   7.818  -3.292
   86   2HB   ALA  12          HB2       ALA  12  10.122   7.181  -2.135
   87   3HB   ALA  12          HB3       ALA  12  10.144   6.575  -3.791
   88    HA   PRO  13           HA       PRO  13  15.387   6.654  -0.428
   89   1HB   PRO  13          HB2       PRO  13  15.437   9.269  -1.885
   90   2HB   PRO  13          HB1       PRO  13  16.781   8.235  -1.389
   91   1HG   PRO  13          HG2       PRO  13  15.960   8.253  -3.918
   92   2HG   PRO  13          HG1       PRO  13  16.443   6.737  -3.134
   93   1HD   PRO  13          HD2       PRO  13  13.723   7.732  -3.822
   94   2HD   PRO  13          HD1       PRO  13  14.337   6.068  -3.757
   95    H    MET  14           HN       MET  14  15.598   7.882   1.483
   96    HA   MET  14           HA       MET  14  13.842  10.127   1.950
   97   1HB   MET  14          HB2       MET  14  12.404   8.114   2.329
   98   2HB   MET  14          HB1       MET  14  13.492   7.643   3.627
   99   1HG   MET  14          HG2       MET  14  11.482   8.754   4.460
  100   2HG   MET  14          HG1       MET  14  12.949   9.645   4.861
  101   1HE   MET  14          HE1       MET  14   9.994  10.857   5.030
  102   2HE   MET  14          HE2       MET  14  10.244  12.459   4.338
  103   3HE   MET  14          HE3       MET  14  11.433  11.784   5.452
  104    H    ASP  15           HN       ASP  15  16.600   8.339   2.593
  105    HA   ASP  15           HA       ASP  15  17.648  10.333   4.340
  106   1HB   ASP  15          HB2       ASP  15  16.248   8.901   5.886
  107   2HB   ASP  15          HB1       ASP  15  17.362   7.582   5.548
  108    H    ILE  16           HN       ILE  16  19.253  10.432   2.786
  109    HA   ILE  16           HA       ILE  16  21.387   8.568   3.097
  110    HB   ILE  16           HB       ILE  16  20.243   7.239   1.549
  111   1HG1  ILE  16          HG12      ILE  16  22.083   8.931  -0.132
  112   2HG1  ILE  16          HG11      ILE  16  22.625   7.659   0.957
  113   1HG2  ILE  16          HG21      ILE  16  19.706   9.716  -0.061
  114   2HG2  ILE  16          HG22      ILE  16  18.538   8.841   0.931
  115   3HG2  ILE  16          HG23      ILE  16  19.227   8.078  -0.504
  116   1HD1  ILE  16          HD11      ILE  16  21.433   6.005  -0.360
  117   2HD1  ILE  16          HD12      ILE  16  22.568   6.912  -1.360
  118   3HD1  ILE  16          HD13      ILE  16  20.843   7.273  -1.435
  119    H    THR  17           HN       THR  17  20.033  11.423   1.867
  120    HA   THR  17           HA       THR  17  20.858  13.301   0.863
  121    HB   THR  17           HB       THR  17  23.098  14.058   1.690
  122    HG1  THR  17           HG1      THR  17  23.147  12.147   3.679
  123   1HG2  THR  17          HG21      THR  17  21.020  14.670   2.836
  124   2HG2  THR  17          HG22      THR  17  22.344  14.463   3.982
  125   3HG2  THR  17          HG23      THR  17  21.123  13.203   3.809
  126    H    LEU  18           HN       LEU  18  21.162  13.177  -1.254
  127    HA   LEU  18           HA       LEU  18  22.965  11.316  -2.412
  128   1HB   LEU  18          HB2       LEU  18  20.983  13.282  -3.364
  129   2HB   LEU  18          HB1       LEU  18  22.262  12.866  -4.486
  130    HG   LEU  18           HG       LEU  18  20.308  11.468  -4.875
  131   1HD1  LEU  18          HD11      LEU  18  22.657  10.037  -3.653
  132   2HD1  LEU  18          HD12      LEU  18  22.400  10.429  -5.355
  133   3HD1  LEU  18          HD13      LEU  18  21.378   9.229  -4.560
  134   1HD2  LEU  18          HD21      LEU  18  19.442   9.959  -3.217
  135   2HD2  LEU  18          HD22      LEU  18  19.420  11.596  -2.560
  136   3HD2  LEU  18          HD23      LEU  18  20.673  10.461  -2.058
  137    H    THR  19           HN       THR  19  24.358  13.049  -0.732
  138    HA   THR  19           HA       THR  19  25.831  14.840  -2.518
  139    HB   THR  19           HB       THR  19  26.777  15.845  -0.554
  140    HG1  THR  19           HG1      THR  19  25.880  14.842   1.547
  141   1HG2  THR  19          HG21      THR  19  23.829  15.277  -0.262
  142   2HG2  THR  19          HG22      THR  19  24.595  16.686  -1.000
  143   3HG2  THR  19          HG23      THR  19  24.693  16.441   0.744
  144    H    GLU  20           HN       GLU  20  25.900  11.727  -1.382
  145    HA   GLU  20           HA       GLU  20  28.829  11.521  -1.428
  146   1HB   GLU  20          HB2       GLU  20  26.742   9.529  -0.519
  147   2HB   GLU  20          HB1       GLU  20  28.480   9.276  -0.457
  148   1HG   GLU  20          HG2       GLU  20  27.008  11.447   1.017
  149   2HG   GLU  20          HG1       GLU  20  27.498   9.904   1.714
  150    H    THR  21           HN       THR  21  29.064   8.855  -2.121
  151    HA   THR  21           HA       THR  21  27.770   8.518  -4.714
  152    HB   THR  21           HB       THR  21  30.134   7.912  -5.629
  153    HG1  THR  21           HG1      THR  21  30.924   8.575  -3.336
  154   1HG2  THR  21          HG21      THR  21  30.381  10.155  -6.530
  155   2HG2  THR  21          HG22      THR  21  29.341  10.804  -5.262
  156   3HG2  THR  21          HG23      THR  21  28.674   9.717  -6.480
  157    H    ARG  22           HN       ARG  22  29.859   7.255  -2.190
  158    HA   ARG  22           HA       ARG  22  29.128   4.527  -3.021
  159   1HB   ARG  22          HB2       ARG  22  31.697   5.307  -1.657
  160   2HB   ARG  22          HB1       ARG  22  31.239   3.711  -2.229
  161   1HG   ARG  22          HG2       ARG  22  31.253   4.552  -4.538
  162   2HG   ARG  22          HG1       ARG  22  31.779   6.128  -3.940
  163   1HD   ARG  22          HD2       ARG  22  33.788   5.065  -2.986
  164   2HD   ARG  22          HD1       ARG  22  33.268   3.519  -3.655
  165    HE   ARG  22           HE       ARG  22  33.615   5.722  -5.527
  166   1HH1  ARG  22          HH11      ARG  22  34.880   2.798  -4.114
  167   2HH1  ARG  22          HH12      ARG  22  36.031   2.530  -5.379
  168   1HH2  ARG  22          HH21      ARG  22  35.130   5.379  -7.197
  169   2HH2  ARG  22          HH22      ARG  22  36.173   3.998  -7.131
  170    H    PHE  23           HN       PHE  23  29.032   2.968  -1.189
  171    HA   PHE  23           HA       PHE  23  28.817   4.136   1.480
  172   1HB   PHE  23          HB2       PHE  23  26.542   2.491   0.374
  173   2HB   PHE  23          HB1       PHE  23  26.582   3.420   1.867
  174    HD1  PHE  23           HD1      PHE  23  26.683   3.796  -1.825
  175    HD2  PHE  23           HD2      PHE  23  25.747   5.598   1.916
  176    HE1  PHE  23           HE1      PHE  23  25.696   5.710  -3.001
  177    HE2  PHE  23           HE2      PHE  23  24.750   7.518   0.741
  178    HZ   PHE  23           HZ       PHE  23  24.724   7.576  -1.720
  179    H    LYS  24           HN       LYS  24  30.142   2.866   2.624
  180    HA   LYS  24           HA       LYS  24  31.096   0.372   1.918
  181   1HB   LYS  24          HB2       LYS  24  31.594   0.138   4.430
  182   2HB   LYS  24          HB1       LYS  24  32.327   1.473   3.554
  183   1HG   LYS  24          HG2       LYS  24  30.588   2.978   4.402
  184   2HG   LYS  24          HG1       LYS  24  29.871   1.631   5.290
  185   1HD   LYS  24          HD2       LYS  24  31.223   2.930   6.798
  186   2HD   LYS  24          HD1       LYS  24  32.003   1.370   6.527
  187   1HE   LYS  24          HE2       LYS  24  33.703   3.031   6.438
  188   2HE   LYS  24          HE1       LYS  24  33.418   2.486   4.785
  189   1HZ   LYS  24          HZ1       LYS  24  33.583   4.850   4.791
  190   2HZ   LYS  24          HZ2       LYS  24  32.436   4.995   6.026
  191   3HZ   LYS  24          HZ3       LYS  24  31.965   4.451   4.496
  192    H    THR  25           HN       THR  25  30.903  -1.638   3.322
  193    HA   THR  25           HA       THR  25  28.290  -2.661   3.048
  194    HB   THR  25           HB       THR  25  29.345  -4.563   4.525
  195    HG1  THR  25           HG1      THR  25  31.777  -4.162   3.602
  196   1HG2  THR  25          HG21      THR  25  28.781  -4.619   2.068
  197   2HG2  THR  25          HG22      THR  25  30.146  -5.633   2.532
  198   3HG2  THR  25          HG23      THR  25  30.427  -4.076   1.750
  199    H    GLY  26           HN       GLY  26  29.586  -0.731   5.447
  200   1HA   GLY  26          HA2       GLY  26  27.826  -1.822   7.538
  201   2HA   GLY  26          HA1       GLY  26  29.132  -0.672   7.795
  202    H    THR  27           HN       THR  27  27.094  -0.178   5.109
  203    HA   THR  27           HA       THR  27  25.914   2.173   6.429
  204    HB   THR  27           HB       THR  27  27.257   2.326   4.202
  205    HG1  THR  27           HG1      THR  27  25.818   3.956   5.242
  206   1HG2  THR  27          HG21      THR  27  25.354   0.529   3.361
  207   2HG2  THR  27          HG22      THR  27  26.365   1.522   2.305
  208   3HG2  THR  27          HG23      THR  27  24.739   2.065   2.743
  209    H    THR  28           HN       THR  28  23.670   2.713   5.954
  210    HA   THR  28           HA       THR  28  21.964   0.677   4.843
  211    HB   THR  28           HB       THR  28  21.855   1.284   7.802
  212    HG1  THR  28           HG1      THR  28  22.076  -1.207   6.438
  213   1HG2  THR  28          HG21      THR  28  19.596   1.271   6.795
  214   2HG2  THR  28          HG22      THR  28  19.852  -0.076   7.903
  215   3HG2  THR  28          HG23      THR  28  19.913  -0.344   6.161
  216    H    LEU  29           HN       LEU  29  20.321   1.639   3.848
  217    HA   LEU  29           HA       LEU  29  19.900   4.470   4.312
  218   1HB   LEU  29          HB2       LEU  29  18.788   2.596   2.228
  219   2HB   LEU  29          HB1       LEU  29  18.432   4.309   2.302
  220    HG   LEU  29           HG       LEU  29  20.082   4.093   0.646
  221   1HD1  LEU  29          HD11      LEU  29  21.711   4.761   3.079
  222   2HD1  LEU  29          HD12      LEU  29  20.490   5.846   2.416
  223   3HD1  LEU  29          HD13      LEU  29  21.886   5.387   1.439
  224   1HD2  LEU  29          HD21      LEU  29  22.138   2.839   0.897
  225   2HD2  LEU  29          HD22      LEU  29  20.743   1.793   1.172
  226   3HD2  LEU  29          HD23      LEU  29  21.686   2.387   2.541
  227    H    LYS  30           HN       LYS  30  17.357   4.970   3.722
  228    HA   LYS  30           HA       LYS  30  15.803   3.531   5.769
  229   1HB   LYS  30          HB2       LYS  30  16.451   6.145   5.892
  230   2HB   LYS  30          HB1       LYS  30  14.969   6.260   4.947
  231   1HG   LYS  30          HG2       LYS  30  15.149   4.816   7.582
  232   2HG   LYS  30          HG1       LYS  30  14.687   6.512   7.420
  233   1HD   LYS  30          HD2       LYS  30  12.750   5.949   6.155
  234   2HD   LYS  30          HD1       LYS  30  13.274   4.271   5.988
  235   1HE   LYS  30          HE2       LYS  30  12.623   5.586   8.621
  236   2HE   LYS  30          HE1       LYS  30  11.473   4.634   7.682
  237   1HZ   LYS  30          HZ1       LYS  30  12.533   3.319   9.417
  238   2HZ   LYS  30          HZ2       LYS  30  14.058   3.635   8.756
  239   3HZ   LYS  30          HZ3       LYS  30  12.930   2.726   7.883
  240    H    TYR  31           HN       TYR  31  15.002   5.798   3.164
  241    HA   TYR  31           HA       TYR  31  13.559   5.712   1.427
  242   1HB   TYR  31          HB2       TYR  31  14.217   2.789   1.688
  243   2HB   TYR  31          HB1       TYR  31  13.091   3.375   0.470
  244    HD1  TYR  31           HD1      TYR  31  16.408   4.575   1.735
  245    HD2  TYR  31           HD2      TYR  31  14.056   3.418  -1.616
  246    HE1  TYR  31           HE1      TYR  31  18.290   5.098   0.241
  247    HE2  TYR  31           HE2      TYR  31  15.931   3.937  -3.119
  248    HH   TYR  31           HH       TYR  31  19.091   4.511  -1.986
  249    H    THR  32           HN       THR  32  11.446   5.911   1.206
  250    HA   THR  32           HA       THR  32   9.707   4.678   3.231
  251    HB   THR  32           HB       THR  32   9.482   6.978   3.519
  252    HG1  THR  32           HG1      THR  32   7.489   6.931   1.585
  253   1HG2  THR  32          HG21      THR  32  10.833   7.654   1.600
  254   2HG2  THR  32          HG22      THR  32   9.353   8.610   1.702
  255   3HG2  THR  32          HG23      THR  32   9.482   7.308   0.518
  256    H    CYS  33           HN       CYS  33   7.261   4.763   2.182
  257    HA   CYS  33           HA       CYS  33   7.459   3.554  -0.492
  258   1HB   CYS  33          HB2       CYS  33   5.852   2.444   1.817
  259   2HB   CYS  33          HB1       CYS  33   5.882   1.796   0.180
  260    H    LEU  34           HN       LEU  34   6.229   4.415  -1.858
  261    HA   LEU  34           HA       LEU  34   4.609   6.589  -1.608
  262   1HB   LEU  34          HB2       LEU  34   4.289   4.406  -3.665
  263   2HB   LEU  34          HB1       LEU  34   3.788   6.077  -3.836
  264    HG   LEU  34           HG       LEU  34   6.653   5.154  -3.547
  265   1HD1  LEU  34          HD11      LEU  34   5.005   5.888  -5.951
  266   2HD1  LEU  34          HD12      LEU  34   5.931   4.415  -5.663
  267   3HD1  LEU  34          HD13      LEU  34   6.767   5.939  -5.952
  268   1HD2  LEU  34          HD21      LEU  34   7.252   7.420  -4.088
  269   2HD2  LEU  34          HD22      LEU  34   6.185   7.425  -2.683
  270   3HD2  LEU  34          HD23      LEU  34   5.555   7.865  -4.271
  271    HA   PRO  35           HA       PRO  35   0.581   5.457  -0.228
  272   1HB   PRO  35          HB2       PRO  35  -1.117   6.617  -2.003
  273   2HB   PRO  35          HB1       PRO  35  -0.193   7.537  -0.811
  274   1HG   PRO  35          HG2       PRO  35   0.389   7.071  -3.713
  275   2HG   PRO  35          HG1       PRO  35   0.510   8.573  -2.776
  276   1HD   PRO  35          HD2       PRO  35   2.671   7.067  -3.363
  277   2HD   PRO  35          HD1       PRO  35   2.538   7.978  -1.844
  278    H    GLY  36           HN       GLY  36   0.394   3.253  -0.423
  279   1HA   GLY  36          HA2       GLY  36  -1.600   2.052  -1.739
  280   2HA   GLY  36          HA1       GLY  36  -0.378   2.122  -2.995
  281    H    TYR  37           HN       TYR  37   1.548   1.829  -0.514
  282    HA   TYR  37           HA       TYR  37   1.703  -1.067  -0.717
  283   1HB   TYR  37          HB2       TYR  37   3.458   0.857   0.835
  284   2HB   TYR  37          HB1       TYR  37   3.793  -0.844   0.551
  285    HD1  TYR  37           HD1      TYR  37   3.326   2.382  -1.251
  286    HD2  TYR  37           HD2      TYR  37   5.080  -1.491  -1.273
  287    HE1  TYR  37           HE1      TYR  37   4.635   2.994  -3.237
  288    HE2  TYR  37           HE2      TYR  37   6.386  -0.894  -3.269
  289    HH   TYR  37           HH       TYR  37   6.686   2.310  -4.372
  290    H    VAL  38           HN       VAL  38   1.435  -2.476   1.047
  291    HA   VAL  38           HA       VAL  38   0.340  -1.314   3.521
  292    HB   VAL  38           HB       VAL  38  -1.152  -3.216   3.724
  293   1HG1  VAL  38          HG11      VAL  38  -1.385  -2.065   0.947
  294   2HG1  VAL  38          HG12      VAL  38  -1.881  -1.237   2.423
  295   3HG1  VAL  38          HG13      VAL  38  -2.686  -2.726   1.935
  296   1HG2  VAL  38          HG21      VAL  38  -0.138  -4.154   1.044
  297   2HG2  VAL  38          HG22      VAL  38  -1.344  -4.943   2.063
  298   3HG2  VAL  38          HG23      VAL  38   0.338  -4.854   2.591
  299    H    ARG  39           HN       ARG  39   0.202  -3.825   4.849
  300    HA   ARG  39           HA       ARG  39   3.065  -4.456   5.019
  301   1HB   ARG  39          HB2       ARG  39   2.869  -4.699   7.398
  302   2HB   ARG  39          HB1       ARG  39   2.170  -3.149   6.948
  303   1HG   ARG  39          HG2       ARG  39  -0.075  -4.155   7.068
  304   2HG   ARG  39          HG1       ARG  39   0.657  -5.670   7.599
  305   1HD   ARG  39          HD2       ARG  39  -0.167  -4.425   9.508
  306   2HD   ARG  39          HD1       ARG  39   1.594  -4.517   9.554
  307    HE   ARG  39           HE       ARG  39   0.801  -2.142   8.265
  308   1HH1  ARG  39          HH11      ARG  39   0.903  -3.605  11.426
  309   2HH1  ARG  39          HH12      ARG  39   1.004  -2.093  12.263
  310   1HH2  ARG  39          HH21      ARG  39   0.933  -0.147   9.359
  311   2HH2  ARG  39          HH22      ARG  39   1.021  -0.128  11.089
  312    H    SER  40           HN       SER  40   3.737  -6.491   5.167
  313    HA   SER  40           HA       SER  40   1.850  -8.664   5.587
  314   1HB   SER  40          HB2       SER  40   3.462  -8.380   3.038
  315   2HB   SER  40          HB1       SER  40   2.607  -9.845   3.524
  316    HG   SER  40           HG       SER  40   0.878  -7.876   3.703
  317    H    HIS  41           HN       HIS  41   4.935  -7.279   5.689
  318    HA   HIS  41           HA       HIS  41   6.000  -9.683   6.993
  319   1HB   HIS  41          HB2       HIS  41   7.481  -7.954   4.999
  320   2HB   HIS  41          HB1       HIS  41   8.236  -9.191   5.999
  321    HD1  HIS  41           HD1      HIS  41   7.532 -11.694   5.487
  322    HD2  HIS  41           HD2      HIS  41   6.279  -8.874   2.704
  323    HE1  HIS  41           HE1      HIS  41   6.883 -13.008   3.444
  324    HE2  HIS  41           HE2      HIS  41   6.224 -11.274   1.740
  325    H    SER  42           HN       SER  42   7.752  -6.714   6.318
  326    HA   SER  42           HA       SER  42   7.181  -5.266   8.623
  327   1HB   SER  42          HB2       SER  42   8.119  -7.211   9.823
  328   2HB   SER  42          HB1       SER  42   9.634  -7.009   8.943
  329    HG   SER  42           HG       SER  42   8.453  -5.214  10.791
  330    H    THR  43           HN       THR  43  10.549  -5.703   8.257
  331    HA   THR  43           HA       THR  43  10.880  -3.831   6.100
  332    HB   THR  43           HB       THR  43  10.411  -2.312   7.949
  333    HG1  THR  43           HG1      THR  43  13.114  -1.864   7.734
  334   1HG2  THR  43          HG21      THR  43  11.167  -3.770   9.757
  335   2HG2  THR  43          HG22      THR  43  11.921  -2.178   9.852
  336   3HG2  THR  43          HG23      THR  43  12.834  -3.555   9.231
  337    H    GLN  44           HN       GLN  44  13.316  -3.276   5.853
  338    HA   GLN  44           HA       GLN  44  15.133  -5.181   7.017
  339   1HB   GLN  44          HB2       GLN  44  14.021  -6.517   5.253
  340   2HB   GLN  44          HB1       GLN  44  14.567  -5.352   4.054
  341   1HG   GLN  44          HG2       GLN  44  15.979  -7.328   4.083
  342   2HG   GLN  44          HG1       GLN  44  16.882  -5.889   4.555
  343   1HE2  GLN  44          HE21      GLN  44  18.444  -7.107   5.608
  344   2HE2  GLN  44          HE22      GLN  44  18.144  -7.877   7.125
  345    H    THR  45           HN       THR  45  14.479  -2.412   5.051
  346    HA   THR  45           HA       THR  45  15.736  -0.650   4.384
  347    HB   THR  45           HB       THR  45  17.760  -0.065   5.648
  348    HG1  THR  45           HG1      THR  45  17.525  -2.056   7.513
  349   1HG2  THR  45          HG21      THR  45  16.666  -0.049   7.949
  350   2HG2  THR  45          HG22      THR  45  15.324  -0.911   7.194
  351   3HG2  THR  45          HG23      THR  45  15.766   0.701   6.631
  352    H    LEU  46           HN       LEU  46  18.161  -0.091   3.717
  353    HA   LEU  46           HA       LEU  46  18.979  -2.293   1.939
  354   1HB   LEU  46          HB2       LEU  46  18.743   0.650   1.454
  355   2HB   LEU  46          HB1       LEU  46  19.903  -0.289   0.536
  356    HG   LEU  46           HG       LEU  46  18.145  -1.650  -0.408
  357   1HD1  LEU  46          HD11      LEU  46  16.225  -0.056   1.282
  358   2HD1  LEU  46          HD12      LEU  46  16.674  -1.740   1.551
  359   3HD1  LEU  46          HD13      LEU  46  15.798  -1.283   0.090
  360   1HD2  LEU  46          HD21      LEU  46  18.637   0.503  -1.475
  361   2HD2  LEU  46          HD22      LEU  46  17.367   1.255  -0.507
  362   3HD2  LEU  46          HD23      LEU  46  16.956   0.017  -1.694
  363    H    THR  47           HN       THR  47  20.719  -3.164   2.826
  364    HA   THR  47           HA       THR  47  22.844  -1.387   3.843
  365    HB   THR  47           HB       THR  47  22.567  -4.339   4.434
  366    HG1  THR  47           HG1      THR  47  20.918  -3.742   5.632
  367   1HG2  THR  47          HG21      THR  47  24.047  -2.135   5.876
  368   2HG2  THR  47          HG22      THR  47  24.782  -3.312   4.787
  369   3HG2  THR  47          HG23      THR  47  24.047  -3.847   6.299
  370    H    CYS  48           HN       CYS  48  25.058  -1.960   3.281
  371    HA   CYS  48           HA       CYS  48  25.180  -3.060   0.611
  372   1HB   CYS  48          HB2       CYS  48  26.511  -1.014   1.570
  373   2HB   CYS  48          HB1       CYS  48  27.605  -2.248   2.174
  374    H    ASN  49           HN       ASN  49  25.385  -5.116   0.278
  375    HA   ASN  49           HA       ASN  49  26.447  -6.865   2.350
  376   1HB   ASN  49          HB2       ASN  49  25.666  -8.653   0.669
  377   2HB   ASN  49          HB1       ASN  49  24.423  -7.673   1.448
  378   1HD2  ASN  49          HD21      ASN  49  23.414  -6.028   0.260
  379   2HD2  ASN  49          HD22      ASN  49  23.410  -6.040  -1.467
  380    H    SER  50           HN       SER  50  27.588  -8.910   1.090
  381    HA   SER  50           HA       SER  50  29.946  -7.686  -0.137
  382   1HB   SER  50          HB2       SER  50  30.356  -9.102   1.812
  383   2HB   SER  50          HB1       SER  50  29.545 -10.458   1.025
  384    HG   SER  50           HG       SER  50  32.038  -9.299   0.458
  385    H    ASP  51           HN       ASP  51  28.102  -7.551  -1.890
  386    HA   ASP  51           HA       ASP  51  28.580  -9.693  -3.882
  387   1HB   ASP  51          HB2       ASP  51  25.984  -8.271  -3.282
  388   2HB   ASP  51          HB1       ASP  51  26.270  -9.259  -4.711
  389    H    GLY  52           HN       GLY  52  27.640  -6.336  -3.231
  390   1HA   GLY  52          HA2       GLY  52  29.169  -4.679  -4.370
  391   2HA   GLY  52          HA1       GLY  52  28.821  -5.597  -5.831
  392    H    GLU  53           HN       GLU  53  26.231  -5.645  -3.847
  393    HA   GLU  53           HA       GLU  53  25.033  -3.141  -4.816
  394   1HB   GLU  53          HB2       GLU  53  23.158  -4.200  -5.775
  395   2HB   GLU  53          HB1       GLU  53  24.548  -5.107  -6.357
  396   1HG   GLU  53          HG2       GLU  53  24.117  -6.738  -4.479
  397   2HG   GLU  53          HG1       GLU  53  22.592  -5.895  -4.218
  398    H    TRP  54           HN       TRP  54  22.467  -3.493  -4.045
  399    HA   TRP  54           HA       TRP  54  22.666  -3.572  -1.136
  400   1HB   TRP  54          HB2       TRP  54  20.473  -2.413  -2.863
  401   2HB   TRP  54          HB1       TRP  54  20.744  -2.132  -1.151
  402    HD1  TRP  54           HD1      TRP  54  21.893  -0.981  -4.574
  403    HE1  TRP  54           HE1      TRP  54  23.479   1.030  -4.296
  404    HE3  TRP  54           HE3      TRP  54  22.483  -1.130   0.484
  405    HZ2  TRP  54           HZ2      TRP  54  24.813   2.376  -2.190
  406    HZ3  TRP  54           HZ3      TRP  54  23.922   0.549   1.562
  407    HH2  TRP  54           HH2      TRP  54  25.057   2.262   0.251
  408    H    VAL  55           HN       VAL  55  21.916  -5.257  -0.129
  409    HA   VAL  55           HA       VAL  55  19.996  -7.089  -1.421
  410    HB   VAL  55           HB       VAL  55  22.242  -7.430   0.505
  411   1HG1  VAL  55          HG11      VAL  55  20.275  -8.057   1.831
  412   2HG1  VAL  55          HG12      VAL  55  21.325  -9.431   1.488
  413   3HG1  VAL  55          HG13      VAL  55  19.825  -9.221   0.586
  414   1HG2  VAL  55          HG21      VAL  55  22.660  -8.235  -1.660
  415   2HG2  VAL  55          HG22      VAL  55  21.075  -8.998  -1.775
  416   3HG2  VAL  55          HG23      VAL  55  22.303  -9.673  -0.705
  417    H    TYR  56           HN       TYR  56  18.183  -7.815  -0.222
  418    HA   TYR  56           HA       TYR  56  17.577  -7.311   2.358
  419   1HB   TYR  56          HB2       TYR  56  16.181  -5.258   2.355
  420   2HB   TYR  56          HB1       TYR  56  17.861  -4.914   1.960
  421    HD1  TYR  56           HD1      TYR  56  18.498  -4.276  -0.320
  422    HD2  TYR  56           HD2      TYR  56  14.433  -4.971   0.716
  423    HE1  TYR  56           HE1      TYR  56  17.787  -3.172  -2.397
  424    HE2  TYR  56           HE2      TYR  56  13.709  -3.870  -1.358
  425    HH   TYR  56           HH       TYR  56  14.542  -2.286  -2.989
  426    H    ASN  57           HN       ASN  57  15.071  -7.084   2.767
  427    HA   ASN  57           HA       ASN  57  13.747  -8.794   0.783
  428   1HB   ASN  57          HB2       ASN  57  13.103  -8.306   3.699
  429   2HB   ASN  57          HB1       ASN  57  12.157  -9.331   2.624
  430   1HD2  ASN  57          HD21      ASN  57  13.468 -10.100   5.045
  431   2HD2  ASN  57          HD22      ASN  57  14.632 -11.308   4.632
  432    H    THR  58           HN       THR  58  11.335  -8.433   0.583
  433    HA   THR  58           HA       THR  58  10.909  -5.670  -0.094
  434    HB   THR  58           HB       THR  58   8.729  -7.726  -0.188
  435    HG1  THR  58           HG1      THR  58   9.705  -8.795  -1.758
  436   1HG2  THR  58          HG21      THR  58   8.296  -5.366  -0.823
  437   2HG2  THR  58          HG22      THR  58   8.054  -6.492  -2.158
  438   3HG2  THR  58          HG23      THR  58   9.519  -5.513  -2.085
  439    H    PHE  59           HN       PHE  59  10.936  -4.629   1.916
  440    HA   PHE  59           HA       PHE  59   9.480  -5.314   4.166
  441   1HB   PHE  59          HB2       PHE  59   9.462  -2.641   4.417
  442   2HB   PHE  59          HB1       PHE  59  10.895  -3.620   4.705
  443    HD1  PHE  59           HD1      PHE  59  12.709  -3.682   3.078
  444    HD2  PHE  59           HD2      PHE  59   9.314  -1.178   2.522
  445    HE1  PHE  59           HE1      PHE  59  13.941  -2.397   1.380
  446    HE2  PHE  59           HE2      PHE  59  10.538   0.110   0.821
  447    HZ   PHE  59           HZ       PHE  59  12.854  -0.499   0.247
  448    H    CYS  60           HN       CYS  60   8.532  -2.821   1.788
  449    HA   CYS  60           HA       CYS  60   5.802  -2.929   2.749
  450   1HB   CYS  60          HB2       CYS  60   6.991  -1.331   0.472
  451   2HB   CYS  60          HB1       CYS  60   5.378  -1.128   1.143
  452    H    ILE  61           HN       ILE  61   3.993  -3.387   1.393
  453    HA   ILE  61           HA       ILE  61   4.607  -4.926  -1.023
  454    HB   ILE  61           HB       ILE  61   4.305  -6.619   0.619
  455   1HG1  ILE  61          HG12      ILE  61   1.622  -6.441  -0.736
  456   2HG1  ILE  61          HG11      ILE  61   3.097  -6.764  -1.641
  457   1HG2  ILE  61          HG21      ILE  61   2.324  -6.779   2.036
  458   2HG2  ILE  61          HG22      ILE  61   1.730  -5.254   1.380
  459   3HG2  ILE  61          HG23      ILE  61   3.212  -5.285   2.336
  460   1HD1  ILE  61          HD11      ILE  61   2.097  -8.431   0.654
  461   2HD1  ILE  61          HD12      ILE  61   3.470  -8.784  -0.394
  462   3HD1  ILE  61          HD13      ILE  61   1.833  -8.796  -1.051
  463    H    TYR  62           HN       TYR  62   3.826  -3.525  -2.450
  464    HA   TYR  62           HA       TYR  62   1.483  -1.967  -2.111
  465   1HB   TYR  62          HB2       TYR  62   3.555  -1.716  -3.717
  466   2HB   TYR  62          HB1       TYR  62   2.535  -2.634  -4.822
  467    HD1  TYR  62           HD1      TYR  62   3.617   0.443  -4.445
  468    HD2  TYR  62           HD2      TYR  62  -0.131  -1.557  -4.343
  469    HE1  TYR  62           HE1      TYR  62   2.501   2.544  -5.036
  470    HE2  TYR  62           HE2      TYR  62  -1.272   0.540  -4.938
  471    HH   TYR  62           HH       TYR  62   0.576   3.527  -5.506
  472    H    LYS  63           HN       LYS  63  -0.474  -2.823  -1.940
  473    HA   LYS  63           HA       LYS  63  -1.615  -4.244  -4.150
  474   1HB   LYS  63          HB2       LYS  63  -2.298  -6.218  -2.761
  475   2HB   LYS  63          HB1       LYS  63  -0.575  -6.142  -3.104
  476   1HG   LYS  63          HG2       LYS  63  -0.250  -5.119  -0.844
  477   2HG   LYS  63          HG1       LYS  63  -1.955  -5.438  -0.522
  478   1HD   LYS  63          HD2       LYS  63  -1.499  -7.851  -1.022
  479   2HD   LYS  63          HD1       LYS  63   0.215  -7.454  -1.078
  480   1HE   LYS  63          HE2       LYS  63   0.175  -6.754   1.217
  481   2HE   LYS  63          HE1       LYS  63  -1.578  -6.939   1.287
  482   1HZ   LYS  63          HZ1       LYS  63   0.369  -9.141   0.857
  483   2HZ   LYS  63          HZ2       LYS  63  -1.312  -9.312   0.942
  484   3HZ   LYS  63          HZ3       LYS  63  -0.444  -8.815   2.305
  485    H    ARG  64           HN       ARG  64  -2.895  -2.253  -3.964
  486    HA   ARG  64           HA       ARG  64  -4.492  -1.871  -1.602
  487   1HB   ARG  64          HB2       ARG  64  -5.431   0.039  -2.738
  488   2HB   ARG  64          HB1       ARG  64  -3.687   0.039  -2.942
  489   1HG   ARG  64          HG2       ARG  64  -5.313  -1.235  -5.065
  490   2HG   ARG  64          HG1       ARG  64  -5.348   0.525  -4.940
  491   1HD   ARG  64          HD2       ARG  64  -2.824   0.440  -4.919
  492   2HD   ARG  64          HD1       ARG  64  -2.968  -1.257  -5.378
  493    HE   ARG  64           HE       ARG  64  -4.373   0.639  -7.066
  494   1HH1  ARG  64          HH11      ARG  64  -1.499  -1.262  -6.538
  495   2HH1  ARG  64          HH12      ARG  64  -0.994  -1.191  -8.193
  496   1HH2  ARG  64          HH21      ARG  64  -3.710   0.739  -9.247
  497   2HH2  ARG  64          HH22      ARG  64  -2.249  -0.054  -9.732
  498    H    CYS  65           HN       CYS  65  -6.839  -0.966  -3.190
  499    HA   CYS  65           HA       CYS  65  -7.980  -3.532  -4.026
  500   1HB   CYS  65          HB2       CYS  65  -9.643  -1.702  -2.347
  501   2HB   CYS  65          HB1       CYS  65  -9.754  -3.448  -2.544
  502    H    ARG  66           HN       ARG  66  -9.238  -3.348  -5.822
  503    HA   ARG  66           HA       ARG  66  -9.273  -0.980  -7.277
  504   1HB   ARG  66          HB2       ARG  66  -9.634  -2.986  -8.492
  505   2HB   ARG  66          HB1       ARG  66 -10.975  -3.465  -7.462
  506   1HG   ARG  66          HG2       ARG  66 -11.881  -2.777  -9.544
  507   2HG   ARG  66          HG1       ARG  66 -12.255  -1.516  -8.366
  508   1HD   ARG  66          HD2       ARG  66 -11.535  -0.420 -10.344
  509   2HD   ARG  66          HD1       ARG  66 -10.220  -0.293  -9.176
  510    HE   ARG  66           HE       ARG  66  -9.909  -2.571 -10.849
  511   1HH1  ARG  66          HH11      ARG  66  -9.511   0.890 -10.762
  512   2HH1  ARG  66          HH12      ARG  66  -8.271   0.905 -11.971
  513   1HH2  ARG  66          HH21      ARG  66  -8.281  -2.560 -12.438
  514   2HH2  ARG  66          HH22      ARG  66  -7.572  -1.057 -12.925
  515    H    HIS  67           HN       HIS  67 -10.809   0.605  -7.608
  516    HA   HIS  67           HA       HIS  67 -12.229   1.561  -5.460
  517   1HB   HIS  67          HB2       HIS  67 -11.649   2.849  -7.515
  518   2HB   HIS  67          HB1       HIS  67 -12.936   2.004  -8.367
  519    HD1  HIS  67           HD1      HIS  67 -15.366   2.696  -7.839
  520    HD2  HIS  67           HD2      HIS  67 -12.492   4.849  -5.749
  521    HE1  HIS  67           HE1      HIS  67 -16.586   4.661  -6.849
  522    HE2  HIS  67           HE2      HIS  67 -14.806   6.002  -5.674
  523    HA   PRO  68           HA       PRO  68 -15.593  -1.372  -4.783
  524   1HB   PRO  68          HB2       PRO  68 -16.734   1.255  -3.920
  525   2HB   PRO  68          HB1       PRO  68 -16.853  -0.330  -3.146
  526   1HG   PRO  68          HG2       PRO  68 -15.133   1.473  -2.242
  527   2HG   PRO  68          HG1       PRO  68 -14.667  -0.235  -2.345
  528   1HD   PRO  68          HD2       PRO  68 -13.828   2.058  -4.032
  529   2HD   PRO  68          HD1       PRO  68 -12.958   0.560  -3.644
  530    H    GLY  69           HN       GLY  69 -16.032   1.823  -6.240
  531   1HA   GLY  69          HA2       GLY  69 -17.048   2.010  -8.434
  532   2HA   GLY  69          HA1       GLY  69 -18.106   0.674  -7.995
  533    H    GLU  70           HN       GLU  70 -19.514   2.499  -8.902
  534    HA   GLU  70           HA       GLU  70 -20.245   4.534  -6.974
  535   1HB   GLU  70          HB2       GLU  70 -20.235   5.095  -9.376
  536   2HB   GLU  70          HB1       GLU  70 -21.438   3.847  -9.670
  537   1HG   GLU  70          HG2       GLU  70 -23.026   5.068  -8.251
  538   2HG   GLU  70          HG1       GLU  70 -21.822   6.335  -8.019
  539    H    LEU  71           HN       LEU  71 -21.782   4.478  -5.582
  540    HA   LEU  71           HA       LEU  71 -23.502   2.107  -5.496
  541   1HB   LEU  71          HB2       LEU  71 -22.349   2.391  -3.448
  542   2HB   LEU  71          HB1       LEU  71 -22.613   4.124  -3.443
  543    HG   LEU  71           HG       LEU  71 -24.991   3.749  -2.994
  544   1HD1  LEU  71          HD11      LEU  71 -25.314   1.595  -4.028
  545   2HD1  LEU  71          HD12      LEU  71 -25.753   1.497  -2.320
  546   3HD1  LEU  71          HD13      LEU  71 -24.209   0.846  -2.874
  547   1HD2  LEU  71          HD21      LEU  71 -24.783   3.236  -0.707
  548   2HD2  LEU  71          HD22      LEU  71 -23.267   4.003  -1.185
  549   3HD2  LEU  71          HD23      LEU  71 -23.345   2.252  -0.987
  550    H    ARG  72           HN       ARG  72 -25.186   2.547  -6.824
  551    HA   ARG  72           HA       ARG  72 -26.309   5.129  -7.145
  552   1HB   ARG  72          HB2       ARG  72 -26.658   3.471  -8.897
  553   2HB   ARG  72          HB1       ARG  72 -27.439   2.380  -7.762
  554   1HG   ARG  72          HG2       ARG  72 -29.327   3.859  -7.561
  555   2HG   ARG  72          HG1       ARG  72 -28.538   5.056  -8.592
  556   1HD   ARG  72          HD2       ARG  72 -30.256   3.650  -9.748
  557   2HD   ARG  72          HD1       ARG  72 -28.656   3.617 -10.487
  558    HE   ARG  72           HE       ARG  72 -28.538   1.470  -8.919
  559   1HH1  ARG  72          HH11      ARG  72 -31.044   2.559 -11.081
  560   2HH1  ARG  72          HH12      ARG  72 -31.593   0.959 -11.455
  561   1HH2  ARG  72          HH21      ARG  72 -29.252  -0.639  -9.408
  562   2HH2  ARG  72          HH22      ARG  72 -30.575  -0.858 -10.505
  563    H    ASN  73           HN       ASN  73 -27.684   6.232  -6.055
  564    HA   ASN  73           HA       ASN  73 -28.991   6.905  -4.322
  565   1HB   ASN  73          HB2       ASN  73 -29.812   3.980  -4.343
  566   2HB   ASN  73          HB1       ASN  73 -30.603   5.223  -3.376
  567   1HD2  ASN  73          HD21      ASN  73 -31.582   3.492  -5.570
  568   2HD2  ASN  73          HD22      ASN  73 -32.256   4.575  -6.734
  569    H    GLY  74           HN       GLY  74 -26.415   6.683  -3.743
  570   1HA   GLY  74          HA2       GLY  74 -26.385   6.100  -1.002
  571   2HA   GLY  74          HA1       GLY  74 -25.594   4.799  -1.871
  572    H    GLN  75           HN       GLN  75 -23.967   5.883  -0.215
  573    HA   GLN  75           HA       GLN  75 -22.275   7.636  -1.853
  574   1HB   GLN  75          HB2       GLN  75 -23.359   9.061  -0.191
  575   2HB   GLN  75          HB1       GLN  75 -22.811   7.999   1.098
  576   1HG   GLN  75          HG2       GLN  75 -21.367   9.861   1.096
  577   2HG   GLN  75          HG1       GLN  75 -20.462   8.519   0.398
  578   1HE2  GLN  75          HE21      GLN  75 -20.034  11.378   0.123
  579   2HE2  GLN  75          HE22      GLN  75 -20.107  11.720  -1.569
  580    H    VAL  76           HN       VAL  76 -20.163   7.157  -1.862
  581    HA   VAL  76           HA       VAL  76 -19.341   4.845  -0.230
  582    HB   VAL  76           HB       VAL  76 -17.888   5.773  -2.691
  583   1HG1  VAL  76          HG11      VAL  76 -18.060   3.074  -1.355
  584   2HG1  VAL  76          HG12      VAL  76 -16.778   4.248  -1.061
  585   3HG1  VAL  76          HG13      VAL  76 -16.979   3.544  -2.668
  586   1HG2  VAL  76          HG21      VAL  76 -20.190   5.336  -3.357
  587   2HG2  VAL  76          HG22      VAL  76 -20.143   3.773  -2.543
  588   3HG2  VAL  76          HG23      VAL  76 -19.123   4.065  -3.952
  589    H    GLU  77           HN       GLU  77 -18.345   5.626   1.566
  590    HA   GLU  77           HA       GLU  77 -16.903   8.066   1.644
  591   1HB   GLU  77          HB2       GLU  77 -17.911   7.080   3.652
  592   2HB   GLU  77          HB1       GLU  77 -16.814   5.711   3.542
  593   1HG   GLU  77          HG2       GLU  77 -15.827   7.035   5.152
  594   2HG   GLU  77          HG1       GLU  77 -14.948   7.478   3.694
  595    H    ILE  78           HN       ILE  78 -15.207   8.236   0.265
  596    HA   ILE  78           HA       ILE  78 -13.071   6.222   0.526
  597    HB   ILE  78           HB       ILE  78 -13.738   7.756  -1.984
  598   1HG1  ILE  78          HG12      ILE  78 -15.485   6.154  -1.602
  599   2HG1  ILE  78          HG11      ILE  78 -14.431   5.514  -2.859
  600   1HG2  ILE  78          HG21      ILE  78 -12.125   6.278  -3.060
  601   2HG2  ILE  78          HG22      ILE  78 -11.783   5.514  -1.508
  602   3HG2  ILE  78          HG23      ILE  78 -11.372   7.209  -1.765
  603   1HD1  ILE  78          HD11      ILE  78 -15.154   3.820  -1.227
  604   2HD1  ILE  78          HD12      ILE  78 -14.314   4.717   0.038
  605   3HD1  ILE  78          HD13      ILE  78 -13.404   4.010  -1.296
  606    H    LYS  79           HN       LYS  79 -10.946   6.953   0.466
  607    HA   LYS  79           HA       LYS  79 -10.207   9.653   0.047
  608   1HB   LYS  79          HB2       LYS  79  -9.628  10.260   2.353
  609   2HB   LYS  79          HB1       LYS  79 -11.355  10.002   2.178
  610   1HG   LYS  79          HG2       LYS  79  -9.425   7.987   3.311
  611   2HG   LYS  79          HG1       LYS  79 -10.413   9.089   4.271
  612   1HD   LYS  79          HD2       LYS  79 -12.407   8.070   2.994
  613   2HD   LYS  79          HD1       LYS  79 -11.280   6.779   2.571
  614   1HE   LYS  79          HE2       LYS  79 -10.840   6.404   4.961
  615   2HE   LYS  79          HE1       LYS  79 -12.013   7.658   5.359
  616   1HZ   LYS  79          HZ1       LYS  79 -12.661   5.203   3.825
  617   2HZ   LYS  79          HZ2       LYS  79 -13.753   6.358   4.400
  618   3HZ   LYS  79          HZ3       LYS  79 -12.911   5.377   5.489
  619    H    THR  80           HN       THR  80  -9.484   6.623   1.676
  620    HA   THR  80           HA       THR  80  -6.654   7.011   1.649
  621    HB   THR  80           HB       THR  80  -6.509   4.787   2.542
  622    HG1  THR  80           HG1      THR  80  -7.886   3.407   1.688
  623   1HG2  THR  80          HG21      THR  80  -8.738   6.521   3.549
  624   2HG2  THR  80          HG22      THR  80  -7.144   6.227   4.250
  625   3HG2  THR  80          HG23      THR  80  -8.386   4.979   4.338
  626    H    ASP  81           HN       ASP  81  -8.313   6.905  -0.976
  627    HA   ASP  81           HA       ASP  81  -7.917   6.238  -3.137
  628   1HB   ASP  81          HB2       ASP  81  -5.283   5.459  -1.910
  629   2HB   ASP  81          HB1       ASP  81  -5.600   5.435  -3.642
  630    H    LEU  82           HN       LEU  82  -8.580   4.270  -0.801
  631    HA   LEU  82           HA       LEU  82  -9.287   2.116  -0.603
  632   1HB   LEU  82          HB2       LEU  82  -8.779   1.993  -3.569
  633   2HB   LEU  82          HB1       LEU  82  -9.713   0.833  -2.648
  634    HG   LEU  82           HG       LEU  82 -11.410   2.066  -3.557
  635   1HD1  LEU  82          HD11      LEU  82 -11.752   2.246  -1.198
  636   2HD1  LEU  82          HD12      LEU  82 -12.198   3.783  -1.939
  637   3HD1  LEU  82          HD13      LEU  82 -10.658   3.625  -1.094
  638   1HD2  LEU  82          HD21      LEU  82  -9.971   4.677  -3.255
  639   2HD2  LEU  82          HD22      LEU  82 -11.293   4.256  -4.345
  640   3HD2  LEU  82          HD23      LEU  82  -9.673   3.618  -4.634
  641    H    SER  83           HN       SER  83  -6.827   2.447   0.263
  642    HA   SER  83           HA       SER  83  -5.107   0.458  -0.999
  643   1HB   SER  83          HB2       SER  83  -3.439   1.167   0.721
  644   2HB   SER  83          HB1       SER  83  -4.005   2.500  -0.284
  645    HG   SER  83           HG       SER  83  -5.648   2.630   1.605
  646    H    PHE  84           HN       PHE  84  -4.885  -1.573  -0.268
  647    HA   PHE  84           HA       PHE  84  -6.609  -2.967   1.203
  648   1HB   PHE  84          HB2       PHE  84  -4.872  -4.171   0.161
  649   2HB   PHE  84          HB1       PHE  84  -3.625  -3.309   1.050
  650    HD1  PHE  84           HD1      PHE  84  -2.929  -4.013   3.208
  651    HD2  PHE  84           HD2      PHE  84  -6.225  -5.899   1.291
  652    HE1  PHE  84           HE1      PHE  84  -2.861  -5.816   4.879
  653    HE2  PHE  84           HE2      PHE  84  -6.165  -7.706   2.961
  654    HZ   PHE  84           HZ       PHE  84  -4.481  -7.667   4.757
  655    H    GLY  85           HN       GLY  85  -7.067  -3.511   3.289
  656   1HA   GLY  85          HA2       GLY  85  -6.948  -3.461   5.607
  657   2HA   GLY  85          HA1       GLY  85  -5.472  -2.516   5.482
  658    H    SER  86           HN       SER  86  -8.847  -1.986   4.408
  659    HA   SER  86           HA       SER  86  -9.098   0.230   6.241
  660   1HB   SER  86          HB2       SER  86  -9.248   0.746   3.268
  661   2HB   SER  86          HB1       SER  86  -9.559   1.920   4.549
  662    HG   SER  86           HG       SER  86  -7.443   1.972   5.037
  663    H    GLN  87           HN       GLN  87 -11.177   1.121   6.365
  664    HA   GLN  87           HA       GLN  87 -13.279  -0.629   5.270
  665   1HB   GLN  87          HB2       GLN  87 -13.264  -1.121   7.568
  666   2HB   GLN  87          HB1       GLN  87 -12.979   0.553   8.019
  667   1HG   GLN  87          HG2       GLN  87 -15.500   0.008   6.592
  668   2HG   GLN  87          HG1       GLN  87 -15.359  -0.661   8.217
  669   1HE2  GLN  87          HE21      GLN  87 -13.607   2.189   7.464
  670   2HE2  GLN  87          HE22      GLN  87 -14.606   3.307   8.312
  671    H    ILE  88           HN       ILE  88 -14.914   0.327   4.207
  672    HA   ILE  88           HA       ILE  88 -15.158   3.257   4.392
  673    HB   ILE  88           HB       ILE  88 -15.791   3.304   2.012
  674   1HG1  ILE  88          HG12      ILE  88 -14.735   0.479   1.873
  675   2HG1  ILE  88          HG11      ILE  88 -16.454   0.852   1.970
  676   1HG2  ILE  88          HG21      ILE  88 -13.459   3.708   2.860
  677   2HG2  ILE  88          HG22      ILE  88 -13.573   3.231   1.165
  678   3HG2  ILE  88          HG23      ILE  88 -13.077   2.053   2.382
  679   1HD1  ILE  88          HD11      ILE  88 -16.272   2.138  -0.107
  680   2HD1  ILE  88          HD12      ILE  88 -15.807   0.448  -0.314
  681   3HD1  ILE  88          HD13      ILE  88 -14.567   1.699  -0.210
  682    H    GLU  89           HN       GLU  89 -17.101   3.952   4.953
  683    HA   GLU  89           HA       GLU  89 -19.265   2.051   5.226
  684   1HB   GLU  89          HB2       GLU  89 -19.646   4.954   5.783
  685   2HB   GLU  89          HB1       GLU  89 -20.233   3.554   6.672
  686   1HG   GLU  89          HG2       GLU  89 -18.062   3.176   7.620
  687   2HG   GLU  89          HG1       GLU  89 -17.369   4.454   6.621
  688    H    PHE  90           HN       PHE  90 -21.522   2.960   4.691
  689    HA   PHE  90           HA       PHE  90 -21.534   4.351   2.110
  690   1HB   PHE  90          HB2       PHE  90 -23.121   1.833   2.653
  691   2HB   PHE  90          HB1       PHE  90 -23.059   2.738   1.144
  692    HD1  PHE  90           HD1      PHE  90 -21.072   2.645  -0.287
  693    HD2  PHE  90           HD2      PHE  90 -21.360   0.343   3.287
  694    HE1  PHE  90           HE1      PHE  90 -19.196   1.245  -1.043
  695    HE2  PHE  90           HE2      PHE  90 -19.479  -1.056   2.536
  696    HZ   PHE  90           HZ       PHE  90 -18.396  -0.606   0.371
  697    H    SER  91           HN       SER  91 -24.102   4.548   1.530
  698    HA   SER  91           HA       SER  91 -25.771   4.973   3.795
  699   1HB   SER  91          HB2       SER  91 -25.990   7.479   3.445
  700   2HB   SER  91          HB1       SER  91 -24.523   6.925   4.256
  701    HG   SER  91           HG       SER  91 -24.755   8.333   1.999
  702    H    CYS  92           HN       CYS  92 -27.616   4.327   3.025
  703    HA   CYS  92           HA       CYS  92 -28.289   4.714   0.235
  704   1HB   CYS  92          HB2       CYS  92 -29.724   3.382   2.531
  705   2HB   CYS  92          HB1       CYS  92 -30.456   3.576   0.940
  706    H    SER  93           HN       SER  93 -29.355   6.387  -0.549
  707    HA   SER  93           HA       SER  93 -29.838   8.717   0.749
  708   1HB   SER  93          HB2       SER  93 -31.166   7.543  -1.680
  709   2HB   SER  93          HB1       SER  93 -31.517   9.179  -1.119
  710    HG   SER  93           HG       SER  93 -29.194   9.535  -1.253
  711    H    GLU  94           HN       GLU  94 -32.031   9.835   0.720
  712    HA   GLU  94           HA       GLU  94 -33.481   9.368   2.917
  713   1HB   GLU  94          HB2       GLU  94 -33.847  11.357   1.699
  714   2HB   GLU  94          HB1       GLU  94 -34.381  10.474   0.276
  715   1HG   GLU  94          HG2       GLU  94 -36.412   9.832   1.358
  716   2HG   GLU  94          HG1       GLU  94 -35.863  10.507   2.892
  717    H    GLY  95           HN       GLY  95 -35.124   8.510  -0.110
  718   1HA   GLY  95          HA2       GLY  95 -36.979   6.868   1.280
  719   2HA   GLY  95          HA1       GLY  95 -36.824   7.025  -0.455
  720    H    PHE  96           HN       PHE  96 -34.012   5.992   1.318
  721    HA   PHE  96           HA       PHE  96 -34.681   3.167   0.967
  722   1HB   PHE  96          HB2       PHE  96 -32.179   4.355  -0.255
  723   2HB   PHE  96          HB1       PHE  96 -32.743   2.694  -0.388
  724    HD1  PHE  96           HD1      PHE  96 -32.890   6.007  -1.772
  725    HD2  PHE  96           HD2      PHE  96 -34.803   2.210  -1.715
  726    HE1  PHE  96           HE1      PHE  96 -34.063   6.569  -3.862
  727    HE2  PHE  96           HE2      PHE  96 -35.984   2.763  -3.796
  728    HZ   PHE  96           HZ       PHE  96 -35.611   4.946  -4.878
  729    H    PHE  97           HN       PHE  97 -33.291   1.723   2.052
  730    HA   PHE  97           HA       PHE  97 -31.530   2.991   4.042
  731   1HB   PHE  97          HB2       PHE  97 -32.171   1.359   5.678
  732   2HB   PHE  97          HB1       PHE  97 -33.645   2.047   5.014
  733    HD1  PHE  97           HD1      PHE  97 -31.965  -0.923   5.840
  734    HD2  PHE  97           HD2      PHE  97 -34.731   0.717   3.054
  735    HE1  PHE  97           HE1      PHE  97 -32.805  -3.184   5.351
  736    HE2  PHE  97           HE2      PHE  97 -35.574  -1.540   2.556
  737    HZ   PHE  97           HZ       PHE  97 -34.613  -3.494   3.707
  738    H    LEU  98           HN       LEU  98 -29.892   1.476   4.907
  739    HA   LEU  98           HA       LEU  98 -28.470   0.337   2.668
  740   1HB   LEU  98          HB2       LEU  98 -27.479   1.785   4.506
  741   2HB   LEU  98          HB1       LEU  98 -27.611   0.388   5.554
  742    HG   LEU  98           HG       LEU  98 -25.335   0.758   4.603
  743   1HD1  LEU  98          HD11      LEU  98 -24.926  -1.568   4.026
  744   2HD1  LEU  98          HD12      LEU  98 -26.656  -1.828   3.809
  745   3HD1  LEU  98          HD13      LEU  98 -26.017  -1.439   5.405
  746   1HD2  LEU  98          HD21      LEU  98 -26.130   1.543   2.378
  747   2HD2  LEU  98          HD22      LEU  98 -26.537  -0.131   1.994
  748   3HD2  LEU  98          HD23      LEU  98 -24.861   0.320   2.318
  749    H    ILE  99           HN       ILE  99 -28.072  -1.728   2.266
  750    HA   ILE  99           HA       ILE  99 -28.416  -3.845   4.200
  751    HB   ILE  99           HB       ILE  99 -29.822  -4.630   1.819
  752   1HG1  ILE  99          HG12      ILE  99 -31.270  -2.515   3.371
  753   2HG1  ILE  99          HG11      ILE  99 -30.332  -2.116   1.940
  754   1HG2  ILE  99          HG21      ILE  99 -30.747  -4.426   4.678
  755   2HG2  ILE  99          HG22      ILE  99 -29.856  -5.781   3.985
  756   3HG2  ILE  99          HG23      ILE  99 -31.477  -5.403   3.404
  757   1HD1  ILE  99          HD11      ILE  99 -32.658  -2.377   1.362
  758   2HD1  ILE  99          HD12      ILE  99 -32.678  -3.995   2.063
  759   3HD1  ILE  99          HD13      ILE  99 -31.707  -3.668   0.626
  760    H    GLY 100           HN       GLY 100 -26.284  -4.168   3.807
  761   1HA   GLY 100          HA2       GLY 100 -25.428  -6.072   2.076
  762   2HA   GLY 100          HA1       GLY 100 -25.232  -4.580   1.168
  763    H    SER 101           HN       SER 101 -24.857  -5.005   4.614
  764    HA   SER 101           HA       SER 101 -23.097  -4.744   6.029
  765   1HB   SER 101          HB2       SER 101 -21.977  -6.484   4.701
  766   2HB   SER 101          HB1       SER 101 -21.413  -5.261   3.563
  767    HG   SER 101           HG       SER 101 -20.766  -4.642   6.127
  768    H    THR 102           HN       THR 102 -23.195  -2.679   6.690
  769    HA   THR 102           HA       THR 102 -22.829  -0.433   5.029
  770    HB   THR 102           HB       THR 102 -22.814   0.907   7.059
  771    HG1  THR 102           HG1      THR 102 -22.365   0.057   8.995
  772   1HG2  THR 102          HG21      THR 102 -24.922   0.203   8.048
  773   2HG2  THR 102          HG22      THR 102 -24.740  -1.402   7.343
  774   3HG2  THR 102          HG23      THR 102 -24.975  -0.002   6.297
  775    H    THR 103           HN       THR 103 -20.582  -2.604   6.140
  776    HA   THR 103           HA       THR 103 -18.463  -0.583   5.911
  777    HB   THR 103           HB       THR 103 -17.049  -2.006   7.275
  778    HG1  THR 103           HG1      THR 103 -18.936  -3.620   8.331
  779   1HG2  THR 103          HG21      THR 103 -19.692  -1.453   8.608
  780   2HG2  THR 103          HG22      THR 103 -18.410  -0.269   8.347
  781   3HG2  THR 103          HG23      THR 103 -18.136  -1.643   9.420
  782    H    SER 104           HN       SER 104 -16.491  -1.293   4.866
  783    HA   SER 104           HA       SER 104 -16.670  -3.748   3.315
  784   1HB   SER 104          HB2       SER 104 -17.564  -1.861   1.893
  785   2HB   SER 104          HB1       SER 104 -15.986  -1.087   2.037
  786    HG   SER 104           HG       SER 104 -16.155  -2.336   0.129
  787    H    ARG 105           HN       ARG 105 -14.862  -4.793   3.804
  788    HA   ARG 105           HA       ARG 105 -12.457  -3.256   4.519
  789   1HB   ARG 105          HB2       ARG 105 -13.063  -6.182   5.001
  790   2HB   ARG 105          HB1       ARG 105 -11.678  -5.290   5.616
  791   1HG   ARG 105          HG2       ARG 105 -13.250  -3.838   6.879
  792   2HG   ARG 105          HG1       ARG 105 -14.568  -4.887   6.353
  793   1HD   ARG 105          HD2       ARG 105 -13.834  -5.504   8.583
  794   2HD   ARG 105          HD1       ARG 105 -13.472  -6.794   7.436
  795    HE   ARG 105           HE       ARG 105 -11.153  -5.587   7.434
  796   1HH1  ARG 105          HH11      ARG 105 -13.249  -6.170  10.160
  797   2HH1  ARG 105          HH12      ARG 105 -11.950  -6.246  11.304
  798   1HH2  ARG 105          HH21      ARG 105  -9.441  -5.684   8.934
  799   2HH2  ARG 105          HH22      ARG 105  -9.787  -5.969  10.607
  800    H    CYS 106           HN       CYS 106 -10.410  -4.812   4.079
  801    HA   CYS 106           HA       CYS 106 -10.555  -5.645   1.262
  802   1HB   CYS 106          HB2       CYS 106  -8.644  -3.753   2.571
  803   2HB   CYS 106          HB1       CYS 106  -8.092  -4.747   1.227
  804    H    GLU 107           HN       GLU 107 -10.050  -7.685   1.067
  805    HA   GLU 107           HA       GLU 107  -8.171  -8.902   2.968
  806   1HB   GLU 107          HB2       GLU 107 -10.428  -9.786   3.197
  807   2HB   GLU 107          HB1       GLU 107 -10.503 -10.117   1.473
  808   1HG   GLU 107          HG2       GLU 107 -10.129 -12.151   2.704
  809   2HG   GLU 107          HG1       GLU 107  -8.721 -11.771   1.713
  810    H    VAL 108           HN       VAL 108  -6.873 -10.683   2.067
  811    HA   VAL 108           HA       VAL 108  -6.343 -10.206  -0.787
  812    HB   VAL 108           HB       VAL 108  -4.314 -10.792   1.362
  813   1HG1  VAL 108          HG11      VAL 108  -3.860 -12.019  -0.739
  814   2HG1  VAL 108          HG12      VAL 108  -2.660 -10.765  -0.413
  815   3HG1  VAL 108          HG13      VAL 108  -3.925 -10.485  -1.611
  816   1HG2  VAL 108          HG21      VAL 108  -4.406  -8.479  -0.544
  817   2HG2  VAL 108          HG22      VAL 108  -3.480  -8.637   0.952
  818   3HG2  VAL 108          HG23      VAL 108  -5.232  -8.433   1.016
  819    H    GLN 109           HN       GLN 109  -6.543 -11.800  -2.073
  820    HA   GLN 109           HA       GLN 109  -6.329 -14.541  -1.031
  821   1HB   GLN 109          HB2       GLN 109  -7.964 -13.691  -3.419
  822   2HB   GLN 109          HB1       GLN 109  -8.028 -15.226  -2.561
  823   1HG   GLN 109          HG2       GLN 109  -8.848 -13.982  -0.559
  824   2HG   GLN 109          HG1       GLN 109  -8.942 -12.535  -1.567
  825   1HE2  GLN 109          HE21      GLN 109 -11.161 -12.373  -1.274
  826   2HE2  GLN 109          HE22      GLN 109 -12.273 -13.443  -2.049
  827    H    ASP 110           HN       ASP 110  -4.170 -14.804  -1.495
  828    HA   ASP 110           HA       ASP 110  -2.340 -15.343  -2.708
  829   1HB   ASP 110          HB2       ASP 110  -4.495 -15.926  -4.728
  830   2HB   ASP 110          HB1       ASP 110  -2.795 -16.291  -5.016
  831    H    ARG 111           HN       ARG 111  -3.207 -14.682  -5.858
  832    HA   ARG 111           HA       ARG 111  -1.555 -12.339  -5.911
  833   1HB   ARG 111          HB2       ARG 111  -2.958 -13.853  -8.112
  834   2HB   ARG 111          HB1       ARG 111  -1.810 -12.550  -8.356
  835   1HG   ARG 111          HG2       ARG 111  -0.059 -13.873  -7.299
  836   2HG   ARG 111          HG1       ARG 111  -1.213 -15.178  -7.018
  837   1HD   ARG 111          HD2       ARG 111  -1.541 -15.393  -9.440
  838   2HD   ARG 111          HD1       ARG 111  -0.362 -14.109  -9.708
  839    HE   ARG 111           HE       ARG 111   0.716 -16.238  -8.148
  840   1HH1  ARG 111          HH11      ARG 111  -0.051 -15.266 -11.405
  841   2HH1  ARG 111          HH12      ARG 111   1.144 -16.290 -12.130
  842   1HH2  ARG 111          HH21      ARG 111   2.290 -17.587  -9.092
  843   2HH2  ARG 111          HH22      ARG 111   2.475 -17.609 -10.814
  844    H    GLY 112           HN       GLY 112  -4.366 -12.355  -4.747
  845   1HA   GLY 112          HA2       GLY 112  -5.254  -9.954  -6.187
  846   2HA   GLY 112          HA1       GLY 112  -6.418 -11.223  -5.832
  847    H    VAL 113           HN       VAL 113  -6.874  -8.687  -4.958
  848    HA   VAL 113           HA       VAL 113  -7.086  -9.053  -2.149
  849    HB   VAL 113           HB       VAL 113  -4.891  -8.432  -1.831
  850   1HG1  VAL 113          HG11      VAL 113  -3.796  -6.577  -3.120
  851   2HG1  VAL 113          HG12      VAL 113  -5.243  -6.521  -4.130
  852   3HG1  VAL 113          HG13      VAL 113  -4.251  -7.982  -4.086
  853   1HG2  VAL 113          HG21      VAL 113  -6.317  -5.782  -1.842
  854   2HG2  VAL 113          HG22      VAL 113  -4.822  -6.153  -0.985
  855   3HG2  VAL 113          HG23      VAL 113  -6.323  -6.957  -0.528
  856    H    GLY 114           HN       GLY 114  -8.195  -7.372  -1.059
  857   1HA   GLY 114          HA2       GLY 114  -8.903  -5.007  -1.357
  858   2HA   GLY 114          HA1       GLY 114  -9.496  -5.516  -2.925
  859    H    TRP 115           HN       TRP 115 -11.528  -4.686  -2.297
  860    HA   TRP 115           HA       TRP 115 -12.953  -5.467  -0.015
  861   1HB   TRP 115          HB2       TRP 115 -14.341  -4.797  -2.587
  862   2HB   TRP 115          HB1       TRP 115 -14.803  -4.386  -0.938
  863    HD1  TRP 115           HD1      TRP 115 -13.133  -2.976  -3.922
  864    HE1  TRP 115           HE1      TRP 115 -12.088  -0.691  -3.372
  865    HE3  TRP 115           HE3      TRP 115 -13.478  -3.125   1.177
  866    HZ2  TRP 115           HZ2      TRP 115 -11.488   0.843  -1.085
  867    HZ3  TRP 115           HZ3      TRP 115 -12.643  -1.205   2.469
  868    HH2  TRP 115           HH2      TRP 115 -11.667   0.736   1.361
  869    H    SER 116           HN       SER 116 -14.609  -6.952   0.300
  870    HA   SER 116           HA       SER 116 -14.485  -9.290  -1.471
  871   1HB   SER 116          HB2       SER 116 -15.515  -9.066   1.370
  872   2HB   SER 116          HB1       SER 116 -15.400 -10.554   0.430
  873    HG   SER 116           HG       SER 116 -13.610  -9.931   1.969
  874    H    HIS 117           HN       HIS 117 -16.517  -6.755  -0.365
  875    HA   HIS 117           HA       HIS 117 -18.559  -7.360  -2.240
  876   1HB   HIS 117          HB2       HIS 117 -19.086  -9.022  -0.445
  877   2HB   HIS 117          HB1       HIS 117 -19.338  -7.680   0.663
  878    HD1  HIS 117           HD1      HIS 117 -20.997  -9.652  -1.957
  879    HD2  HIS 117           HD2      HIS 117 -21.635  -6.061   0.035
  880    HE1  HIS 117           HE1      HIS 117 -23.395  -9.048  -2.412
  881    HE2  HIS 117           HE2      HIS 117 -23.744  -6.844  -1.242
  882    HA   PRO 118           HA       PRO 118 -18.537  -2.990  -0.897
  883   1HB   PRO 118          HB2       PRO 118 -18.018  -1.862  -3.253
  884   2HB   PRO 118          HB1       PRO 118 -16.737  -2.651  -2.324
  885   1HG   PRO 118          HG2       PRO 118 -18.223  -3.627  -4.720
  886   2HG   PRO 118          HG1       PRO 118 -16.521  -3.855  -4.285
  887   1HD   PRO 118          HD2       PRO 118 -18.594  -5.701  -3.885
  888   2HD   PRO 118          HD1       PRO 118 -16.983  -5.762  -3.143
  889    H    LEU 119           HN       LEU 119 -19.583  -1.067  -2.457
  890    HA   LEU 119           HA       LEU 119 -21.726  -0.175  -2.535
  891   1HB   LEU 119          HB2       LEU 119 -21.724  -1.952  -4.951
  892   2HB   LEU 119          HB1       LEU 119 -22.430  -0.366  -4.763
  893    HG   LEU 119           HG       LEU 119 -19.509  -1.033  -5.001
  894   1HD1  LEU 119          HD11      LEU 119 -21.365   0.645  -6.666
  895   2HD1  LEU 119          HD12      LEU 119 -20.712  -0.937  -7.094
  896   3HD1  LEU 119          HD13      LEU 119 -19.634   0.449  -6.935
  897   1HD2  LEU 119          HD21      LEU 119 -19.743   0.652  -3.276
  898   2HD2  LEU 119          HD22      LEU 119 -20.782   1.613  -4.330
  899   3HD2  LEU 119          HD23      LEU 119 -19.086   1.369  -4.748
  900    HA   PRO 120           HA       PRO 120 -24.211  -3.609  -0.716
  901   1HB   PRO 120          HB2       PRO 120 -25.486  -1.287   0.596
  902   2HB   PRO 120          HB1       PRO 120 -24.844  -2.768   1.309
  903   1HG   PRO 120          HG2       PRO 120 -23.568  -0.438   1.588
  904   2HG   PRO 120          HG1       PRO 120 -22.675  -1.956   1.371
  905   1HD   PRO 120          HD2       PRO 120 -23.271   0.198  -0.625
  906   2HD   PRO 120          HD1       PRO 120 -21.772  -0.720  -0.373
  907    H    GLN 121           HN       GLN 121 -26.819  -3.252  -0.193
  908    HA   GLN 121           HA       GLN 121 -27.929  -2.489  -2.799
  909   1HB   GLN 121          HB2       GLN 121 -28.631  -4.561  -0.769
  910   2HB   GLN 121          HB1       GLN 121 -29.890  -3.936  -1.815
  911   1HG   GLN 121          HG2       GLN 121 -28.712  -4.656  -3.773
  912   2HG   GLN 121          HG1       GLN 121 -27.312  -5.121  -2.808
  913   1HE2  GLN 121          HE21      GLN 121 -27.396  -6.986  -1.562
  914   2HE2  GLN 121          HE22      GLN 121 -28.595  -8.205  -1.812
  915    H    CYS 122           HN       CYS 122 -29.056  -0.664  -2.888
  916    HA   CYS 122           HA       CYS 122 -30.222   0.364  -0.399
  917   1HB   CYS 122          HB2       CYS 122 -29.445   1.691  -2.989
  918   2HB   CYS 122          HB1       CYS 122 -30.490   2.490  -1.817
  919    H    GLU 123           HN       GLU 123 -32.233  -0.370  -0.106
  920    HA   GLU 123           HA       GLU 123 -34.123  -0.289  -2.376
  921   1HB   GLU 123          HB2       GLU 123 -34.165  -2.215  -0.047
  922   2HB   GLU 123          HB1       GLU 123 -35.262  -2.197  -1.420
  923   1HG   GLU 123          HG2       GLU 123 -32.316  -2.792  -1.526
  924   2HG   GLU 123          HG1       GLU 123 -33.619  -3.975  -1.604
  925    H    ILE 124           HN       ILE 124 -36.145   0.395  -1.982
  926    HA   ILE 124           HA       ILE 124 -36.373   2.462  -0.049
  927    HB   ILE 124           HB       ILE 124 -37.467   2.633  -2.215
  928   1HG1  ILE 124          HG12      ILE 124 -39.562   2.487  -0.046
  929   2HG1  ILE 124          HG11      ILE 124 -38.397   3.797  -0.186
  930   1HG2  ILE 124          HG21      ILE 124 -39.562   1.290  -2.604
  931   2HG2  ILE 124          HG22      ILE 124 -39.049   0.257  -1.269
  932   3HG2  ILE 124          HG23      ILE 124 -38.047   0.395  -2.714
  933   1HD1  ILE 124          HD11      ILE 124 -39.296   4.267  -2.452
  934   2HD1  ILE 124          HD12      ILE 124 -40.462   4.500  -1.149
  935   3HD1  ILE 124          HD13      ILE 124 -40.542   3.055  -2.155
  936    H    LEU 125           HN       LEU 125 -37.566   2.602   1.795
  937    HA   LEU 125           HA       LEU 125 -37.796   0.410   3.456
  938   1HB   LEU 125          HB2       LEU 125 -39.413   2.957   3.556
  939   2HB   LEU 125          HB1       LEU 125 -39.205   1.829   4.882
  940    HG   LEU 125           HG       LEU 125 -37.015   3.474   3.606
  941   1HD1  LEU 125          HD11      LEU 125 -36.990   4.681   5.725
  942   2HD1  LEU 125          HD12      LEU 125 -38.350   3.715   6.298
  943   3HD1  LEU 125          HD13      LEU 125 -38.561   4.814   4.935
  944   1HD2  LEU 125          HD21      LEU 125 -36.876   1.724   6.055
  945   2HD2  LEU 125          HD22      LEU 125 -35.554   2.616   5.297
  946   3HD2  LEU 125          HD23      LEU 125 -36.292   1.249   4.461
  947    H    GLU 126           HN       GLU 126 -40.182   1.798   1.267
  948    HA   GLU 126           HA       GLU 126 -41.626  -0.668   1.154
  949   1HB   GLU 126          HB2       GLU 126 -43.751   0.096   2.005
  950   2HB   GLU 126          HB1       GLU 126 -42.531   0.300   3.252
  951   1HG   GLU 126          HG2       GLU 126 -43.469   2.516   1.451
  952   2HG   GLU 126          HG1       GLU 126 -44.149   2.181   3.042
  953    H    HIS 127           HN       HIS 127 -42.712  -0.855  -0.736
  954    HA   HIS 127           HA       HIS 127 -43.245   1.569  -2.296
  955   1HB   HIS 127          HB2       HIS 127 -42.373   0.360  -4.336
  956   2HB   HIS 127          HB1       HIS 127 -41.146   0.853  -3.173
  957    HD1  HIS 127           HD1      HIS 127 -40.141  -1.087  -1.655
  958    HD2  HIS 127           HD2      HIS 127 -42.478  -2.334  -4.857
  959    HE1  HIS 127           HE1      HIS 127 -39.621  -3.529  -1.955
  960    HE2  HIS 127           HE2      HIS 127 -41.018  -4.254  -3.922
  961    H    HIS 128           HN       HIS 128 -44.590   1.027  -4.286
  962    HA   HIS 128           HA       HIS 128 -46.114  -1.365  -4.341
  963   1HB   HIS 128          HB2       HIS 128 -48.295  -0.407  -3.668
  964   2HB   HIS 128          HB1       HIS 128 -47.144  -0.450  -2.337
  965    HD1  HIS 128           HD1      HIS 128 -49.214   1.843  -4.345
  966    HD2  HIS 128           HD2      HIS 128 -46.109   2.123  -1.597
  967    HE1  HIS 128           HE1      HIS 128 -49.174   4.250  -3.619
  968    HE2  HIS 128           HE2      HIS 128 -47.239   4.412  -2.012
  969    H    HIS 129           HN       HIS 129 -48.193  -0.966  -5.739
  970    HA   HIS 129           HA       HIS 129 -48.048   1.225  -7.589
  971   1HB   HIS 129          HB2       HIS 129 -47.667  -0.155  -9.598
  972   2HB   HIS 129          HB1       HIS 129 -46.278  -0.176  -8.517
  973    HD1  HIS 129           HD1      HIS 129 -49.163  -2.354  -9.609
  974    HD2  HIS 129           HD2      HIS 129 -45.519  -2.663  -7.639
  975    HE1  HIS 129           HE1      HIS 129 -48.746  -4.821  -9.351
  976    HE2  HIS 129           HE2      HIS 129 -46.560  -4.982  -8.108
  977    H    HIS 130           HN       HIS 130 -49.930   1.484  -8.757
  978    HA   HIS 130           HA       HIS 130 -52.051  -0.486  -8.199
  979   1HB   HIS 130          HB2       HIS 130 -52.372   2.497  -8.593
  980   2HB   HIS 130          HB1       HIS 130 -53.653   1.353  -8.206
  981    HD1  HIS 130           HD1      HIS 130 -53.683   0.390  -5.772
  982    HD2  HIS 130           HD2      HIS 130 -50.860   3.366  -6.438
  983    HE1  HIS 130           HE1      HIS 130 -52.930   1.125  -3.488
  984    HE2  HIS 130           HE2      HIS 130 -51.170   2.877  -3.917
  985    H    HIS 131           HN       HIS 131 -51.390   2.201 -10.450
  986    HA   HIS 131           HA       HIS 131 -52.887   0.916 -12.552
  987   1HB   HIS 131          HB2       HIS 131 -52.311   2.891 -13.879
  988   2HB   HIS 131          HB1       HIS 131 -52.912   3.364 -12.292
  989    HD1  HIS 131           HD1      HIS 131 -49.669   3.071 -14.209
  990    HD2  HIS 131           HD2      HIS 131 -51.198   4.907 -10.810
  991    HE1  HIS 131           HE1      HIS 131 -47.855   4.615 -13.406
  992    HE2  HIS 131           HE2      HIS 131 -48.773   5.660 -11.306
  993    H    HIS 132           HN       HIS 132 -51.631   1.239 -14.841
  994    HA   HIS 132           HA       HIS 132 -49.090  -0.230 -14.571
  995   1HB   HIS 132          HB2       HIS 132 -51.350  -0.639 -16.523
  996   2HB   HIS 132          HB1       HIS 132 -49.731  -1.261 -16.823
  997    HD1  HIS 132           HD1      HIS 132 -52.846  -2.012 -15.052
  998    HD2  HIS 132           HD2      HIS 132 -48.878  -3.235 -14.882
  999    HE1  HIS 132           HE1      HIS 132 -52.857  -4.145 -13.720
 1000    HE2  HIS 132           HE2      HIS 132 -50.452  -4.896 -13.677
  Start of MODEL    9
    1   1H    MET   0           HT1      MET   0  32.168  -4.047  -1.799
    2   2H    MET   0           HT2      MET   0  33.764  -4.187  -1.258
    3   3H    MET   0           HT3      MET   0  33.291  -2.832  -2.155
    4    HA   MET   0           HA       MET   0  32.273  -3.551   0.532
    5   1HB   MET   0          HB2       MET   0  34.596  -2.841   0.646
    6   2HB   MET   0          HB1       MET   0  34.247  -1.433  -0.346
    7   1HG   MET   0          HG2       MET   0  34.427  -0.722   1.914
    8   2HG   MET   0          HG1       MET   0  32.731  -0.620   1.444
    9   1HE   MET   0          HE1       MET   0  34.948  -3.737   2.564
   10   2HE   MET   0          HE2       MET   0  34.554  -3.758   4.282
   11   3HE   MET   0          HE3       MET   0  35.415  -2.382   3.592
   12    H    ASN   1           HN       ASN   1  32.307  -1.302  -2.186
   13    HA   ASN   1           HA       ASN   1  30.064   0.177  -1.017
   14   1HB   ASN   1          HB2       ASN   1  32.275   0.899  -2.678
   15   2HB   ASN   1          HB1       ASN   1  30.789   1.238  -3.554
   16   1HD2  ASN   1          HD21      ASN   1  29.210   1.767  -1.241
   17   2HD2  ASN   1          HD22      ASN   1  29.722   3.291  -0.610
   18    H    CYS   2           HN       CYS   2  28.058   0.283  -1.953
   19    HA   CYS   2           HA       CYS   2  27.498  -1.764  -3.960
   20   1HB   CYS   2          HB2       CYS   2  25.756  -0.231  -2.036
   21   2HB   CYS   2          HB1       CYS   2  25.075  -1.183  -3.350
   22    H    GLY   3           HN       GLY   3  25.703  -1.160  -5.559
   23   1HA   GLY   3          HA2       GLY   3  26.599   1.092  -7.079
   24   2HA   GLY   3          HA1       GLY   3  25.208   0.077  -7.452
   25    HA   PRO   4           HA       PRO   4  24.368   4.566  -5.511
   26   1HB   PRO   4          HB2       PRO   4  23.239   4.689  -8.290
   27   2HB   PRO   4          HB1       PRO   4  23.851   5.999  -7.271
   28   1HG   PRO   4          HG2       PRO   4  25.381   4.998  -9.193
   29   2HG   PRO   4          HG1       PRO   4  26.077   5.393  -7.612
   30   1HD   PRO   4          HD2       PRO   4  25.458   2.733  -8.791
   31   2HD   PRO   4          HD1       PRO   4  26.734   3.193  -7.646
   32    HA   PRO   5           HA       PRO   5  20.669   2.520  -4.050
   33   1HB   PRO   5          HB2       PRO   5  20.022   5.410  -3.590
   34   2HB   PRO   5          HB1       PRO   5  19.775   4.021  -2.523
   35   1HG   PRO   5          HG2       PRO   5  21.835   5.656  -2.145
   36   2HG   PRO   5          HG1       PRO   5  22.022   3.905  -1.942
   37   1HD   PRO   5          HD2       PRO   5  22.990   5.670  -4.124
   38   2HD   PRO   5          HD1       PRO   5  23.672   4.151  -3.511
   39    HA   PRO   6           HA       PRO   6  18.286   3.112  -7.842
   40   1HB   PRO   6          HB2       PRO   6  16.539   1.080  -7.303
   41   2HB   PRO   6          HB1       PRO   6  18.135   0.828  -8.020
   42   1HG   PRO   6          HG2       PRO   6  17.250   0.517  -5.177
   43   2HG   PRO   6          HG1       PRO   6  18.319  -0.523  -6.137
   44   1HD   PRO   6          HD2       PRO   6  19.276   1.236  -4.335
   45   2HD   PRO   6          HD1       PRO   6  20.144   0.860  -5.838
   46    H    THR   7           HN       THR   7  15.791   2.822  -8.108
   47    HA   THR   7           HA       THR   7  14.572   4.772  -6.288
   48    HB   THR   7           HB       THR   7  14.592   5.287  -8.735
   49    HG1  THR   7           HG1      THR   7  12.957   6.162  -7.376
   50   1HG2  THR   7          HG21      THR   7  13.064   4.089 -10.216
   51   2HG2  THR   7          HG22      THR   7  12.664   2.970  -8.913
   52   3HG2  THR   7          HG23      THR   7  14.298   3.002  -9.578
   53    H    LEU   8           HN       LEU   8  12.896   4.201  -4.979
   54    HA   LEU   8           HA       LEU   8  11.841   1.478  -5.313
   55   1HB   LEU   8          HB2       LEU   8  11.819   3.173  -2.820
   56   2HB   LEU   8          HB1       LEU   8  11.387   1.478  -2.946
   57    HG   LEU   8           HG       LEU   8  14.152   2.631  -3.331
   58   1HD1  LEU   8          HD11      LEU   8  14.705   1.612  -1.252
   59   2HD1  LEU   8          HD12      LEU   8  13.127   0.833  -1.146
   60   3HD1  LEU   8          HD13      LEU   8  13.256   2.585  -0.994
   61   1HD2  LEU   8          HD21      LEU   8  13.184  -0.222  -3.412
   62   2HD2  LEU   8          HD22      LEU   8  14.873   0.285  -3.423
   63   3HD2  LEU   8          HD23      LEU   8  13.815   0.711  -4.768
   64    H    SER   9           HN       SER   9   9.919   1.483  -6.294
   65    HA   SER   9           HA       SER   9   8.146   3.727  -6.176
   66   1HB   SER   9          HB2       SER   9   6.611   2.316  -7.487
   67   2HB   SER   9          HB1       SER   9   8.239   2.257  -8.163
   68    HG   SER   9           HG       SER   9   8.380   0.210  -7.661
   69    H    PHE  10           HN       PHE  10   8.770   1.035  -4.230
   70    HA   PHE  10           HA       PHE  10   6.165   1.214  -2.887
   71   1HB   PHE  10          HB2       PHE  10   7.100  -0.872  -1.665
   72   2HB   PHE  10          HB1       PHE  10   6.567  -1.044  -3.332
   73    HD1  PHE  10           HD1      PHE  10   8.224  -1.230  -5.148
   74    HD2  PHE  10           HD2      PHE  10   9.373  -1.196  -1.050
   75    HE1  PHE  10           HE1      PHE  10  10.419  -2.153  -5.761
   76    HE2  PHE  10           HE2      PHE  10  11.573  -2.117  -1.656
   77    HZ   PHE  10           HZ       PHE  10  12.097  -2.599  -4.013
   78    H    ALA  11           HN       ALA  11   7.966   3.309  -2.604
   79    HA   ALA  11           HA       ALA  11   7.965   3.993  -0.050
   80   1HB   ALA  11          HB1       ALA  11  10.522   2.448  -0.536
   81   2HB   ALA  11          HB2       ALA  11   9.265   2.071   0.642
   82   3HB   ALA  11          HB3       ALA  11  10.258   3.515   0.843
   83    H    ALA  12           HN       ALA  12  10.422   5.176   0.411
   84    HA   ALA  12           HA       ALA  12  11.346   6.608  -1.810
   85   1HB   ALA  12          HB1       ALA  12  10.363   8.827  -1.358
   86   2HB   ALA  12          HB2       ALA  12   9.297   8.086  -0.163
   87   3HB   ALA  12          HB3       ALA  12   9.162   7.638  -1.864
   88    HA   PRO  13           HA       PRO  13  14.663   7.426   0.999
   89   1HB   PRO  13          HB2       PRO  13  14.742  10.108  -0.308
   90   2HB   PRO  13          HB1       PRO  13  16.050   8.951  -0.038
   91   1HG   PRO  13          HG2       PRO  13  14.965   9.246  -2.455
   92   2HG   PRO  13          HG1       PRO  13  15.450   7.648  -1.859
   93   1HD   PRO  13          HD2       PRO  13  12.728   8.824  -2.136
   94   2HD   PRO  13          HD1       PRO  13  13.254   7.138  -2.310
   95    H    MET  14           HN       MET  14  15.024   8.495   2.912
   96    HA   MET  14           HA       MET  14  13.272  10.705   3.658
   97   1HB   MET  14          HB2       MET  14  12.361   8.300   4.250
   98   2HB   MET  14          HB1       MET  14  13.511   8.427   5.573
   99   1HG   MET  14          HG2       MET  14  12.419  10.538   6.258
  100   2HG   MET  14          HG1       MET  14  11.217  10.280   4.995
  101   1HE   MET  14          HE1       MET  14   9.137   9.508   8.190
  102   2HE   MET  14          HE2       MET  14   9.411  10.601   6.833
  103   3HE   MET  14          HE3       MET  14  10.496  10.632   8.222
  104    H    ASP  15           HN       ASP  15  16.231   9.147   3.741
  105    HA   ASP  15           HA       ASP  15  17.452  11.213   5.281
  106   1HB   ASP  15          HB2       ASP  15  16.522   9.739   7.070
  107   2HB   ASP  15          HB1       ASP  15  17.524   8.428   6.457
  108    H    ILE  16           HN       ILE  16  18.619  11.372   3.317
  109    HA   ILE  16           HA       ILE  16  21.048   9.955   3.261
  110    HB   ILE  16           HB       ILE  16  19.963   8.147   2.269
  111   1HG1  ILE  16          HG12      ILE  16  21.049   9.883   0.060
  112   2HG1  ILE  16          HG11      ILE  16  21.967   8.751   1.046
  113   1HG2  ILE  16          HG21      ILE  16  18.492  10.062   0.484
  114   2HG2  ILE  16          HG22      ILE  16  17.814   9.201   1.866
  115   3HG2  ILE  16          HG23      ILE  16  18.353   8.303   0.446
  116   1HD1  ILE  16          HD11      ILE  16  20.563   6.921   0.077
  117   2HD1  ILE  16          HD12      ILE  16  21.624   7.743  -1.066
  118   3HD1  ILE  16          HD13      ILE  16  19.900   8.116  -1.037
  119    H    THR  17           HN       THR  17  22.062  11.904   3.062
  120    HA   THR  17           HA       THR  17  21.326  13.981   1.345
  121    HB   THR  17           HB       THR  17  23.716  14.701   1.447
  122    HG1  THR  17           HG1      THR  17  24.625  13.057   3.310
  123   1HG2  THR  17          HG21      THR  17  23.747  15.170   3.829
  124   2HG2  THR  17          HG22      THR  17  22.578  13.883   4.124
  125   3HG2  THR  17          HG23      THR  17  22.100  15.317   3.217
  126    H    LEU  18           HN       LEU  18  21.163  13.937  -0.799
  127    HA   LEU  18           HA       LEU  18  22.361  11.827  -2.303
  128   1HB   LEU  18          HB2       LEU  18  20.409  13.986  -2.795
  129   2HB   LEU  18          HB1       LEU  18  21.321  13.450  -4.189
  130    HG   LEU  18           HG       LEU  18  19.242  12.239  -4.108
  131   1HD1  LEU  18          HD11      LEU  18  20.099   9.897  -3.873
  132   2HD1  LEU  18          HD12      LEU  18  21.618  10.581  -3.291
  133   3HD1  LEU  18          HD13      LEU  18  21.059  10.936  -4.926
  134   1HD2  LEU  18          HD21      LEU  18  18.617  10.846  -2.214
  135   2HD2  LEU  18          HD22      LEU  18  18.779  12.532  -1.722
  136   3HD2  LEU  18          HD23      LEU  18  20.052  11.376  -1.335
  137    H    THR  19           HN       THR  19  24.254  13.510  -1.061
  138    HA   THR  19           HA       THR  19  25.361  15.241  -3.112
  139    HB   THR  19           HB       THR  19  27.040  15.841  -1.479
  140    HG1  THR  19           HG1      THR  19  25.990  13.622  -0.047
  141   1HG2  THR  19          HG21      THR  19  25.494  16.456   0.480
  142   2HG2  THR  19          HG22      THR  19  24.217  15.677  -0.457
  143   3HG2  THR  19          HG23      THR  19  25.075  17.071  -1.119
  144    H    GLU  20           HN       GLU  20  25.854  12.077  -1.758
  145    HA   GLU  20           HA       GLU  20  28.308  11.714  -3.318
  146   1HB   GLU  20          HB2       GLU  20  27.048  10.040  -1.139
  147   2HB   GLU  20          HB1       GLU  20  28.495   9.574  -2.022
  148   1HG   GLU  20          HG2       GLU  20  28.198  12.034  -0.313
  149   2HG   GLU  20          HG1       GLU  20  29.019  10.545   0.154
  150    H    THR  21           HN       THR  21  28.338   9.091  -3.854
  151    HA   THR  21           HA       THR  21  25.863   8.471  -5.309
  152    HB   THR  21           HB       THR  21  28.539   8.030  -6.609
  153    HG1  THR  21           HG1      THR  21  27.854  10.029  -7.827
  154   1HG2  THR  21          HG21      THR  21  26.609   6.810  -7.494
  155   2HG2  THR  21          HG22      THR  21  27.197   8.002  -8.654
  156   3HG2  THR  21          HG23      THR  21  25.744   8.331  -7.710
  157    H    ARG  22           HN       ARG  22  28.359   7.532  -3.289
  158    HA   ARG  22           HA       ARG  22  27.735   4.684  -3.688
  159   1HB   ARG  22          HB2       ARG  22  30.386   5.933  -2.999
  160   2HB   ARG  22          HB1       ARG  22  30.050   4.213  -2.869
  161   1HG   ARG  22          HG2       ARG  22  29.634   4.081  -5.252
  162   2HG   ARG  22          HG1       ARG  22  29.878   5.822  -5.409
  163   1HD   ARG  22          HD2       ARG  22  32.189   5.561  -4.643
  164   2HD   ARG  22          HD1       ARG  22  31.943   3.821  -4.502
  165    HE   ARG  22           HE       ARG  22  31.318   4.693  -7.118
  166   1HH1  ARG  22          HH11      ARG  22  34.020   4.097  -5.004
  167   2HH1  ARG  22          HH12      ARG  22  35.121   3.749  -6.295
  168   1HH2  ARG  22          HH21      ARG  22  32.758   4.236  -8.826
  169   2HH2  ARG  22          HH22      ARG  22  34.403   3.830  -8.469
  170    H    PHE  23           HN       PHE  23  27.842   3.390  -1.726
  171    HA   PHE  23           HA       PHE  23  27.954   4.793   0.830
  172   1HB   PHE  23          HB2       PHE  23  25.451   3.324  -0.039
  173   2HB   PHE  23          HB1       PHE  23  25.733   4.051   1.540
  174    HD1  PHE  23           HD1      PHE  23  25.220   4.766  -2.032
  175    HD2  PHE  23           HD2      PHE  23  25.403   6.376   1.901
  176    HE1  PHE  23           HE1      PHE  23  24.332   6.892  -2.870
  177    HE2  PHE  23           HE2      PHE  23  24.501   8.510   1.071
  178    HZ   PHE  23           HZ       PHE  23  23.961   8.771  -1.319
  179    H    LYS  24           HN       LYS  24  29.562   3.535   1.596
  180    HA   LYS  24           HA       LYS  24  30.142   0.894   1.207
  181   1HB   LYS  24          HB2       LYS  24  30.954   0.915   3.638
  182   2HB   LYS  24          HB1       LYS  24  31.688   2.033   2.499
  183   1HG   LYS  24          HG2       LYS  24  30.359   3.853   3.369
  184   2HG   LYS  24          HG1       LYS  24  29.496   2.743   4.437
  185   1HD   LYS  24          HD2       LYS  24  31.617   2.217   5.570
  186   2HD   LYS  24          HD1       LYS  24  32.445   3.375   4.528
  187   1HE   LYS  24          HE2       LYS  24  30.238   4.000   6.485
  188   2HE   LYS  24          HE1       LYS  24  31.952   4.356   6.701
  189   1HZ   LYS  24          HZ1       LYS  24  30.169   5.498   4.619
  190   2HZ   LYS  24          HZ2       LYS  24  31.831   5.791   4.732
  191   3HZ   LYS  24          HZ3       LYS  24  30.796   6.312   5.964
  192    H    THR  25           HN       THR  25  29.924  -0.923   2.765
  193    HA   THR  25           HA       THR  25  27.233  -1.649   3.052
  194    HB   THR  25           HB       THR  25  28.142  -3.515   4.459
  195    HG1  THR  25           HG1      THR  25  30.101  -1.926   4.904
  196   1HG2  THR  25          HG21      THR  25  29.132  -4.687   2.653
  197   2HG2  THR  25          HG22      THR  25  29.782  -3.201   1.958
  198   3HG2  THR  25          HG23      THR  25  28.048  -3.511   1.902
  199    H    GLY  26           HN       GLY  26  26.289  -2.316   5.251
  200   1HA   GLY  26          HA2       GLY  26  25.589  -1.777   7.373
  201   2HA   GLY  26          HA1       GLY  26  27.172  -1.066   7.635
  202    H    THR  27           HN       THR  27  26.274   0.566   5.053
  203    HA   THR  27           HA       THR  27  25.656   2.967   6.370
  204    HB   THR  27           HB       THR  27  26.712   2.677   4.089
  205    HG1  THR  27           HG1      THR  27  26.268   4.759   4.492
  206   1HG2  THR  27          HG21      THR  27  24.716   2.943   2.326
  207   2HG2  THR  27          HG22      THR  27  23.906   1.920   3.518
  208   3HG2  THR  27          HG23      THR  27  25.404   1.378   2.759
  209    H    THR  28           HN       THR  28  23.704   0.763   6.835
  210    HA   THR  28           HA       THR  28  21.319   0.648   5.796
  211    HB   THR  28           HB       THR  28  21.809   1.319   8.691
  212    HG1  THR  28           HG1      THR  28  22.111  -0.796   8.917
  213   1HG2  THR  28          HG21      THR  28  19.614   0.410   9.176
  214   2HG2  THR  28          HG22      THR  28  19.336   0.096   7.463
  215   3HG2  THR  28          HG23      THR  28  19.456   1.756   8.046
  216    H    LEU  29           HN       LEU  29  19.821   1.900   4.958
  217    HA   LEU  29           HA       LEU  29  19.862   4.774   5.572
  218   1HB   LEU  29          HB2       LEU  29  18.750   3.235   3.237
  219   2HB   LEU  29          HB1       LEU  29  18.373   4.923   3.513
  220    HG   LEU  29           HG       LEU  29  20.891   5.343   3.453
  221   1HD1  LEU  29          HD11      LEU  29  22.231   3.697   2.267
  222   2HD1  LEU  29          HD12      LEU  29  20.854   2.596   2.215
  223   3HD1  LEU  29          HD13      LEU  29  21.587   3.018   3.762
  224   1HD2  LEU  29          HD21      LEU  29  19.394   5.974   1.640
  225   2HD2  LEU  29          HD22      LEU  29  19.506   4.347   0.968
  226   3HD2  LEU  29          HD23      LEU  29  20.931   5.385   1.008
  227    H    LYS  30           HN       LYS  30  17.455   5.691   5.039
  228    HA   LYS  30           HA       LYS  30  15.807   4.502   7.130
  229   1HB   LYS  30          HB2       LYS  30  16.258   7.160   6.169
  230   2HB   LYS  30          HB1       LYS  30  14.542   6.788   6.011
  231   1HG   LYS  30          HG2       LYS  30  14.892   7.808   8.135
  232   2HG   LYS  30          HG1       LYS  30  14.545   6.100   8.406
  233   1HD   LYS  30          HD2       LYS  30  16.940   5.655   8.659
  234   2HD   LYS  30          HD1       LYS  30  17.284   7.367   8.395
  235   1HE   LYS  30          HE2       LYS  30  15.749   6.145  10.682
  236   2HE   LYS  30          HE1       LYS  30  17.329   6.925  10.755
  237   1HZ   LYS  30          HZ1       LYS  30  15.628   8.419  11.533
  238   2HZ   LYS  30          HZ2       LYS  30  14.753   8.246  10.096
  239   3HZ   LYS  30          HZ3       LYS  30  16.262   9.007  10.078
  240    H    TYR  31           HN       TYR  31  14.654   6.217   4.280
  241    HA   TYR  31           HA       TYR  31  13.114   5.722   2.697
  242   1HB   TYR  31          HB2       TYR  31  14.208   2.980   3.252
  243   2HB   TYR  31          HB1       TYR  31  12.850   3.192   2.155
  244    HD1  TYR  31           HD1      TYR  31  16.362   3.087   2.411
  245    HD2  TYR  31           HD2      TYR  31  13.211   4.964   0.253
  246    HE1  TYR  31           HE1      TYR  31  17.925   3.597   0.583
  247    HE2  TYR  31           HE2      TYR  31  14.766   5.479  -1.581
  248    HH   TYR  31           HH       TYR  31  17.142   5.739  -1.965
  249    H    THR  32           HN       THR  32  10.944   5.556   2.637
  250    HA   THR  32           HA       THR  32   9.679   4.463   5.049
  251    HB   THR  32           HB       THR  32   9.166   6.721   5.008
  252    HG1  THR  32           HG1      THR  32   6.908   6.784   4.414
  253   1HG2  THR  32          HG21      THR  32  10.021   7.259   2.810
  254   2HG2  THR  32          HG22      THR  32   8.403   7.937   3.004
  255   3HG2  THR  32          HG23      THR  32   8.636   6.473   2.048
  256    H    CYS  33           HN       CYS  33   7.359   5.169   2.720
  257    HA   CYS  33           HA       CYS  33   7.279   2.983   1.031
  258   1HB   CYS  33          HB2       CYS  33   7.225   1.404   2.752
  259   2HB   CYS  33          HB1       CYS  33   6.233   2.424   3.788
  260    H    LEU  34           HN       LEU  34   5.788   3.382  -0.398
  261    HA   LEU  34           HA       LEU  34   3.265   4.680   0.236
  262   1HB   LEU  34          HB2       LEU  34   4.480   5.868  -2.100
  263   2HB   LEU  34          HB1       LEU  34   3.744   6.636  -0.712
  264    HG   LEU  34           HG       LEU  34   6.488   5.568  -0.358
  265   1HD1  LEU  34          HD11      LEU  34   7.492   7.539  -1.361
  266   2HD1  LEU  34          HD12      LEU  34   5.906   8.105  -1.883
  267   3HD1  LEU  34          HD13      LEU  34   6.585   6.630  -2.570
  268   1HD2  LEU  34          HD21      LEU  34   5.248   8.181   0.446
  269   2HD2  LEU  34          HD22      LEU  34   6.685   7.405   1.121
  270   3HD2  LEU  34          HD23      LEU  34   5.084   6.700   1.387
  271    HA   PRO  35           HA       PRO  35   1.144   3.072  -3.484
  272   1HB   PRO  35          HB2       PRO  35   3.113   4.551  -5.196
  273   2HB   PRO  35          HB1       PRO  35   1.377   4.318  -5.434
  274   1HG   PRO  35          HG2       PRO  35   2.593   6.542  -4.212
  275   2HG   PRO  35          HG1       PRO  35   0.875   6.127  -4.143
  276   1HD   PRO  35          HD2       PRO  35   2.622   6.192  -1.960
  277   2HD   PRO  35          HD1       PRO  35   1.034   5.391  -1.999
  278    H    GLY  36           HN       GLY  36   2.513   1.364  -2.328
  279   1HA   GLY  36          HA2       GLY  36   3.370  -0.576  -4.061
  280   2HA   GLY  36          HA1       GLY  36   4.828   0.302  -3.596
  281    H    TYR  37           HN       TYR  37   1.997  -1.355  -2.287
  282    HA   TYR  37           HA       TYR  37   3.472  -2.682  -0.313
  283   1HB   TYR  37          HB2       TYR  37   2.413  -1.572   1.690
  284   2HB   TYR  37          HB1       TYR  37   3.634  -0.616   0.850
  285    HD1  TYR  37           HD1      TYR  37   0.144  -0.917   1.729
  286    HD2  TYR  37           HD2      TYR  37   2.959   1.295  -0.567
  287    HE1  TYR  37           HE1      TYR  37  -1.501   0.902   1.485
  288    HE2  TYR  37           HE2      TYR  37   1.327   3.123  -0.817
  289    HH   TYR  37           HH       TYR  37  -1.081   3.470  -0.723
  290    H    VAL  38           HN       VAL  38   1.997  -3.620   1.460
  291    HA   VAL  38           HA       VAL  38  -0.285  -4.362   1.899
  292    HB   VAL  38           HB       VAL  38  -0.256  -4.588  -1.072
  293   1HG1  VAL  38          HG11      VAL  38  -0.558  -6.897  -0.378
  294   2HG1  VAL  38          HG12      VAL  38  -2.053  -6.243  -1.046
  295   3HG1  VAL  38          HG13      VAL  38  -1.868  -6.416   0.699
  296   1HG2  VAL  38          HG21      VAL  38  -2.350  -3.872   0.975
  297   2HG2  VAL  38          HG22      VAL  38  -2.608  -3.879  -0.770
  298   3HG2  VAL  38          HG23      VAL  38  -1.449  -2.759  -0.055
  299    H    ARG  39           HN       ARG  39  -0.277  -6.254   2.922
  300    HA   ARG  39           HA       ARG  39   0.163  -8.413   3.472
  301   1HB   ARG  39          HB2       ARG  39   1.105  -8.469   0.648
  302   2HB   ARG  39          HB1       ARG  39   1.438  -9.827   1.712
  303   1HG   ARG  39          HG2       ARG  39  -1.306  -8.729   1.130
  304   2HG   ARG  39          HG1       ARG  39  -0.589 -10.139   0.348
  305   1HD   ARG  39          HD2       ARG  39  -1.084  -9.855   3.309
  306   2HD   ARG  39          HD1       ARG  39  -2.113 -10.746   2.189
  307    HE   ARG  39           HE       ARG  39   0.307 -11.881   1.817
  308   1HH1  ARG  39          HH11      ARG  39  -1.583 -11.210   4.667
  309   2HH1  ARG  39          HH12      ARG  39  -0.970 -12.569   5.549
  310   1HH2  ARG  39          HH21      ARG  39   1.117 -13.673   2.973
  311   2HH2  ARG  39          HH22      ARG  39   0.567 -13.965   4.589
  312    H    SER  40           HN       SER  40   2.939  -7.229   1.652
  313    HA   SER  40           HA       SER  40   4.709  -8.389   3.642
  314   1HB   SER  40          HB2       SER  40   4.841  -8.240   0.936
  315   2HB   SER  40          HB1       SER  40   5.876  -6.884   1.400
  316    HG   SER  40           HG       SER  40   7.096  -8.782   1.276
  317    H    HIS  41           HN       HIS  41   4.624  -7.101   5.415
  318    HA   HIS  41           HA       HIS  41   6.116  -4.634   5.258
  319   1HB   HIS  41          HB2       HIS  41   4.207  -3.542   6.728
  320   2HB   HIS  41          HB1       HIS  41   4.176  -3.453   4.972
  321    HD1  HIS  41           HD1      HIS  41   2.477  -5.100   7.875
  322    HD2  HIS  41           HD2      HIS  41   2.113  -4.877   3.743
  323    HE1  HIS  41           HE1      HIS  41   0.238  -6.111   7.342
  324    HE2  HIS  41           HE2      HIS  41   0.082  -6.053   4.829
  325    H    SER  42           HN       SER  42   7.427  -4.507   6.945
  326    HA   SER  42           HA       SER  42   6.660  -5.164   9.602
  327   1HB   SER  42          HB2       SER  42   6.987  -7.447   8.531
  328   2HB   SER  42          HB1       SER  42   8.694  -7.034   8.388
  329    HG   SER  42           HG       SER  42   7.156  -7.411  10.722
  330    H    THR  43           HN       THR  43   8.720  -3.884   7.297
  331    HA   THR  43           HA       THR  43  10.272  -2.500   9.295
  332    HB   THR  43           HB       THR  43  12.035  -3.831   7.315
  333    HG1  THR  43           HG1      THR  43  12.159  -5.693   8.746
  334   1HG2  THR  43          HG21      THR  43  12.934  -2.268   8.950
  335   2HG2  THR  43          HG22      THR  43  13.550  -3.891   9.261
  336   3HG2  THR  43          HG23      THR  43  12.262  -3.229  10.267
  337    H    GLN  44           HN       GLN  44  12.404  -1.810   7.446
  338    HA   GLN  44           HA       GLN  44  11.753  -0.972   4.939
  339   1HB   GLN  44          HB2       GLN  44  11.141   1.445   5.285
  340   2HB   GLN  44          HB1       GLN  44   9.878   0.292   5.688
  341   1HG   GLN  44          HG2       GLN  44  10.399   0.526   8.053
  342   2HG   GLN  44          HG1       GLN  44  11.695   1.654   7.662
  343   1HE2  GLN  44          HE21      GLN  44   8.659   1.608   5.951
  344   2HE2  GLN  44          HE22      GLN  44   8.066   3.111   6.560
  345    H    THR  45           HN       THR  45  14.028  -1.514   5.031
  346    HA   THR  45           HA       THR  45  15.665   0.852   5.372
  347    HB   THR  45           HB       THR  45  17.396  -0.477   6.695
  348    HG1  THR  45           HG1      THR  45  15.360  -1.957   7.846
  349   1HG2  THR  45          HG21      THR  45  16.306   0.024   8.865
  350   2HG2  THR  45          HG22      THR  45  14.793   0.315   8.006
  351   3HG2  THR  45          HG23      THR  45  16.188   1.353   7.713
  352    H    LEU  46           HN       LEU  46  17.445   0.879   4.107
  353    HA   LEU  46           HA       LEU  46  17.994  -1.506   2.457
  354   1HB   LEU  46          HB2       LEU  46  17.601   1.334   1.702
  355   2HB   LEU  46          HB1       LEU  46  18.920   0.504   0.902
  356    HG   LEU  46           HG       LEU  46  17.351  -1.198   0.075
  357   1HD1  LEU  46          HD11      LEU  46  15.730  -1.111   1.888
  358   2HD1  LEU  46          HD12      LEU  46  14.946  -0.874   0.325
  359   3HD1  LEU  46          HD13      LEU  46  15.238   0.506   1.384
  360   1HD2  LEU  46          HD21      LEU  46  16.220   0.182  -1.563
  361   2HD2  LEU  46          HD22      LEU  46  17.843   0.807  -1.268
  362   3HD2  LEU  46          HD23      LEU  46  16.444   1.611  -0.552
  363    H    THR  47           HN       THR  47  19.915  -2.330   3.033
  364    HA   THR  47           HA       THR  47  22.074  -0.447   3.754
  365    HB   THR  47           HB       THR  47  21.921  -3.247   4.844
  366    HG1  THR  47           HG1      THR  47  20.798  -2.475   6.593
  367   1HG2  THR  47          HG21      THR  47  23.340  -0.725   5.705
  368   2HG2  THR  47          HG22      THR  47  24.071  -2.183   5.034
  369   3HG2  THR  47          HG23      THR  47  23.324  -2.226   6.630
  370    H    CYS  48           HN       CYS  48  24.123  -0.863   2.942
  371    HA   CYS  48           HA       CYS  48  24.194  -2.549   0.634
  372   1HB   CYS  48          HB2       CYS  48  25.445  -0.434   0.644
  373   2HB   CYS  48          HB1       CYS  48  26.414  -0.995   2.000
  374    H    ASN  49           HN       ASN  49  24.506  -4.610   0.689
  375    HA   ASN  49           HA       ASN  49  25.925  -5.831   2.934
  376   1HB   ASN  49          HB2       ASN  49  25.033  -7.980   1.873
  377   2HB   ASN  49          HB1       ASN  49  23.817  -6.874   2.509
  378   1HD2  ASN  49          HD21      ASN  49  22.791  -5.430   0.976
  379   2HD2  ASN  49          HD22      ASN  49  22.533  -5.977  -0.641
  380    H    SER  50           HN       SER  50  27.171  -7.966   2.039
  381    HA   SER  50           HA       SER  50  29.218  -6.876   0.295
  382   1HB   SER  50          HB2       SER  50  29.901  -8.130   2.293
  383   2HB   SER  50          HB1       SER  50  29.062  -9.562   1.696
  384    HG   SER  50           HG       SER  50  31.404  -8.340   0.725
  385    H    ASP  51           HN       ASP  51  27.457  -6.790  -1.349
  386    HA   ASP  51           HA       ASP  51  27.698  -8.995  -3.259
  387   1HB   ASP  51          HB2       ASP  51  25.630  -9.336  -1.709
  388   2HB   ASP  51          HB1       ASP  51  24.956  -7.984  -2.619
  389    H    GLY  52           HN       GLY  52  27.877  -5.857  -2.546
  390   1HA   GLY  52          HA2       GLY  52  27.855  -3.920  -3.769
  391   2HA   GLY  52          HA1       GLY  52  28.014  -4.955  -5.180
  392    H    GLU  53           HN       GLU  53  25.337  -5.565  -3.261
  393    HA   GLU  53           HA       GLU  53  23.581  -3.768  -4.792
  394   1HB   GLU  53          HB2       GLU  53  22.145  -5.445  -5.462
  395   2HB   GLU  53          HB1       GLU  53  23.687  -6.283  -5.551
  396   1HG   GLU  53          HG2       GLU  53  23.285  -7.378  -3.458
  397   2HG   GLU  53          HG1       GLU  53  21.826  -6.425  -3.193
  398    H    TRP  54           HN       TRP  54  21.362  -3.623  -3.759
  399    HA   TRP  54           HA       TRP  54  21.717  -3.390  -0.890
  400   1HB   TRP  54          HB2       TRP  54  19.510  -2.398  -2.706
  401   2HB   TRP  54          HB1       TRP  54  19.676  -2.021  -0.999
  402    HD1  TRP  54           HD1      TRP  54  20.832  -0.914  -4.387
  403    HE1  TRP  54           HE1      TRP  54  22.477   1.052  -4.151
  404    HE3  TRP  54           HE3      TRP  54  21.604  -1.105   0.653
  405    HZ2  TRP  54           HZ2      TRP  54  23.918   2.353  -2.096
  406    HZ3  TRP  54           HZ3      TRP  54  23.129   0.533   1.681
  407    HH2  TRP  54           HH2      TRP  54  24.260   2.224   0.334
  408    H    VAL  55           HN       VAL  55  21.103  -4.909   0.379
  409    HA   VAL  55           HA       VAL  55  19.154  -6.968  -0.441
  410    HB   VAL  55           HB       VAL  55  21.503  -6.873   1.396
  411   1HG1  VAL  55          HG11      VAL  55  20.723  -8.801   2.668
  412   2HG1  VAL  55          HG12      VAL  55  19.151  -8.690   1.874
  413   3HG1  VAL  55          HG13      VAL  55  19.703  -7.388   2.928
  414   1HG2  VAL  55          HG21      VAL  55  21.790  -7.960  -0.713
  415   2HG2  VAL  55          HG22      VAL  55  20.353  -8.951  -0.455
  416   3HG2  VAL  55          HG23      VAL  55  21.786  -9.194   0.548
  417    H    TYR  56           HN       TYR  56  17.380  -7.434   0.808
  418    HA   TYR  56           HA       TYR  56  16.864  -6.671   3.333
  419   1HB   TYR  56          HB2       TYR  56  15.461  -4.619   3.169
  420   2HB   TYR  56          HB1       TYR  56  17.135  -4.323   2.709
  421    HD1  TYR  56           HD1      TYR  56  17.686  -4.272   0.200
  422    HD2  TYR  56           HD2      TYR  56  13.713  -4.083   1.709
  423    HE1  TYR  56           HE1      TYR  56  16.922  -3.339  -1.943
  424    HE2  TYR  56           HE2      TYR  56  12.939  -3.151  -0.430
  425    HH   TYR  56           HH       TYR  56  14.804  -3.194  -3.237
  426    H    ASN  57           HN       ASN  57  14.388  -6.546   3.855
  427    HA   ASN  57           HA       ASN  57  13.113  -8.565   2.199
  428   1HB   ASN  57          HB2       ASN  57  11.457  -8.723   3.983
  429   2HB   ASN  57          HB1       ASN  57  13.081  -8.795   4.660
  430   1HD2  ASN  57          HD21      ASN  57  13.791  -7.183   5.987
  431   2HD2  ASN  57          HD22      ASN  57  12.768  -5.923   6.579
  432    H    THR  58           HN       THR  58  10.598  -8.243   1.998
  433    HA   THR  58           HA       THR  58  10.265  -5.758   0.526
  434    HB   THR  58           HB       THR  58   8.200  -7.941   0.795
  435    HG1  THR  58           HG1      THR  58   9.309  -9.122  -0.584
  436   1HG2  THR  58          HG21      THR  58   7.405  -5.850  -0.159
  437   2HG2  THR  58          HG22      THR  58   7.488  -7.086  -1.413
  438   3HG2  THR  58          HG23      THR  58   8.737  -5.843  -1.315
  439    H    PHE  59           HN       PHE  59  10.302  -4.431   2.433
  440    HA   PHE  59           HA       PHE  59   8.504  -4.609   4.558
  441   1HB   PHE  59          HB2       PHE  59   8.930  -2.105   4.755
  442   2HB   PHE  59          HB1       PHE  59  10.346  -3.150   4.804
  443    HD1  PHE  59           HD1      PHE  59  12.112  -2.813   3.339
  444    HD2  PHE  59           HD2      PHE  59   8.345  -1.011   2.519
  445    HE1  PHE  59           HE1      PHE  59  13.128  -1.536   1.500
  446    HE2  PHE  59           HE2      PHE  59   9.356   0.269   0.678
  447    HZ   PHE  59           HZ       PHE  59  11.750   0.009   0.166
  448    H    CYS  60           HN       CYS  60   7.953  -3.789   1.305
  449    HA   CYS  60           HA       CYS  60   5.156  -3.379   1.784
  450   1HB   CYS  60          HB2       CYS  60   6.938  -1.086   1.062
  451   2HB   CYS  60          HB1       CYS  60   5.301  -1.145   0.422
  452    H    ILE  61           HN       ILE  61   3.991  -4.038   0.062
  453    HA   ILE  61           HA       ILE  61   5.169  -3.974  -2.589
  454    HB   ILE  61           HB       ILE  61   5.894  -6.130  -1.725
  455   1HG1  ILE  61          HG12      ILE  61   3.631  -6.479  -3.695
  456   2HG1  ILE  61          HG11      ILE  61   5.253  -5.933  -4.115
  457   1HG2  ILE  61          HG21      ILE  61   3.961  -6.253  -0.091
  458   2HG2  ILE  61          HG22      ILE  61   4.442  -7.767  -0.863
  459   3HG2  ILE  61          HG23      ILE  61   3.012  -6.903  -1.428
  460   1HD1  ILE  61          HD11      ILE  61   5.101  -8.232  -4.664
  461   2HD1  ILE  61          HD12      ILE  61   4.434  -8.631  -3.081
  462   3HD1  ILE  61          HD13      ILE  61   6.112  -8.105  -3.224
  463    H    TYR  62           HN       TYR  62   3.738  -3.029  -3.764
  464    HA   TYR  62           HA       TYR  62   1.096  -2.510  -3.203
  465   1HB   TYR  62          HB2       TYR  62   2.854  -1.931  -5.272
  466   2HB   TYR  62          HB1       TYR  62   1.463  -2.699  -6.036
  467    HD1  TYR  62           HD1      TYR  62   0.744  -0.613  -7.131
  468    HD2  TYR  62           HD2      TYR  62   1.124  -0.852  -2.905
  469    HE1  TYR  62           HE1      TYR  62  -0.508   1.496  -6.891
  470    HE2  TYR  62           HE2      TYR  62  -0.095   1.247  -2.652
  471    HH   TYR  62           HH       TYR  62  -0.696   3.179  -3.885
  472    H    LYS  63           HN       LYS  63  -0.616  -3.594  -3.069
  473    HA   LYS  63           HA       LYS  63  -1.575  -5.331  -5.143
  474   1HB   LYS  63          HB2       LYS  63  -0.425  -7.068  -4.025
  475   2HB   LYS  63          HB1       LYS  63  -0.797  -6.401  -2.442
  476   1HG   LYS  63          HG2       LYS  63  -2.900  -7.292  -2.396
  477   2HG   LYS  63          HG1       LYS  63  -3.050  -7.311  -4.153
  478   1HD   LYS  63          HD2       LYS  63  -2.843  -9.565  -3.065
  479   2HD   LYS  63          HD1       LYS  63  -1.673  -9.230  -4.332
  480   1HE   LYS  63          HE2       LYS  63  -0.045  -8.574  -2.562
  481   2HE   LYS  63          HE1       LYS  63  -1.213  -9.135  -1.372
  482   1HZ   LYS  63          HZ1       LYS  63  -1.091 -11.340  -2.274
  483   2HZ   LYS  63          HZ2       LYS  63   0.477 -10.813  -1.919
  484   3HZ   LYS  63          HZ3       LYS  63  -0.067 -10.827  -3.520
  485    H    ARG  64           HN       ARG  64  -3.014  -3.561  -5.194
  486    HA   ARG  64           HA       ARG  64  -4.670  -3.046  -2.874
  487   1HB   ARG  64          HB2       ARG  64  -5.695  -1.319  -4.383
  488   2HB   ARG  64          HB1       ARG  64  -3.971  -1.121  -4.101
  489   1HG   ARG  64          HG2       ARG  64  -3.895  -2.618  -6.326
  490   2HG   ARG  64          HG1       ARG  64  -5.425  -1.775  -6.578
  491   1HD   ARG  64          HD2       ARG  64  -2.804  -0.431  -5.940
  492   2HD   ARG  64          HD1       ARG  64  -3.476  -0.601  -7.561
  493    HE   ARG  64           HE       ARG  64  -5.117   0.742  -5.562
  494   1HH1  ARG  64          HH11      ARG  64  -3.008   0.967  -8.326
  495   2HH1  ARG  64          HH12      ARG  64  -3.500   2.578  -8.733
  496   1HH2  ARG  64          HH21      ARG  64  -5.774   2.863  -6.093
  497   2HH2  ARG  64          HH22      ARG  64  -5.073   3.654  -7.466
  498    H    CYS  65           HN       CYS  65  -7.044  -2.353  -4.291
  499    HA   CYS  65           HA       CYS  65  -7.974  -4.922  -5.370
  500   1HB   CYS  65          HB2       CYS  65  -9.704  -3.292  -3.526
  501   2HB   CYS  65          HB1       CYS  65  -9.880  -4.979  -3.996
  502    H    ARG  66           HN       ARG  66 -10.114  -4.648  -6.517
  503    HA   ARG  66           HA       ARG  66  -9.918  -2.323  -8.179
  504   1HB   ARG  66          HB2       ARG  66 -10.489  -4.421  -9.231
  505   2HB   ARG  66          HB1       ARG  66 -11.881  -4.622  -8.177
  506   1HG   ARG  66          HG2       ARG  66 -12.512  -3.916 -10.439
  507   2HG   ARG  66          HG1       ARG  66 -12.990  -2.743  -9.212
  508   1HD   ARG  66          HD2       ARG  66 -11.104  -1.336  -9.761
  509   2HD   ARG  66          HD1       ARG  66 -10.505  -2.536 -10.908
  510    HE   ARG  66           HE       ARG  66 -13.092  -1.865 -11.679
  511   1HH1  ARG  66          HH11      ARG  66  -9.977  -0.326 -11.388
  512   2HH1  ARG  66          HH12      ARG  66 -10.276   0.809 -12.661
  513   1HH2  ARG  66          HH21      ARG  66 -13.492  -0.373 -13.356
  514   2HH2  ARG  66          HH22      ARG  66 -12.274   0.784 -13.777
  515    H    HIS  67           HN       HIS  67 -11.316  -0.643  -8.372
  516    HA   HIS  67           HA       HIS  67 -12.579   0.281  -6.050
  517   1HB   HIS  67          HB2       HIS  67 -11.762   1.674  -7.990
  518   2HB   HIS  67          HB1       HIS  67 -13.200   1.169  -8.872
  519    HD1  HIS  67           HD1      HIS  67 -15.185   2.634  -8.608
  520    HD2  HIS  67           HD2      HIS  67 -12.465   3.105  -5.505
  521    HE1  HIS  67           HE1      HIS  67 -16.080   4.526  -7.212
  522    HE2  HIS  67           HE2      HIS  67 -14.379   4.842  -5.380
  523    HA   PRO  68           HA       PRO  68 -16.314  -2.219  -6.164
  524   1HB   PRO  68          HB2       PRO  68 -17.751  -0.578  -4.452
  525   2HB   PRO  68          HB1       PRO  68 -16.701  -1.897  -3.938
  526   1HG   PRO  68          HG2       PRO  68 -16.148   1.033  -4.036
  527   2HG   PRO  68          HG1       PRO  68 -15.628  -0.171  -2.844
  528   1HD   PRO  68          HD2       PRO  68 -13.946   0.770  -4.721
  529   2HD   PRO  68          HD1       PRO  68 -13.875  -0.917  -4.167
  530    H    GLY  69           HN       GLY  69 -16.047   1.176  -6.862
  531   1HA   GLY  69          HA2       GLY  69 -16.988   2.010  -8.903
  532   2HA   GLY  69          HA1       GLY  69 -18.286   0.842  -8.736
  533    H    GLU  70           HN       GLU  70 -19.610   2.661  -9.205
  534    HA   GLU  70           HA       GLU  70 -19.826   4.778  -7.232
  535   1HB   GLU  70          HB2       GLU  70 -20.138   5.319  -9.619
  536   2HB   GLU  70          HB1       GLU  70 -21.501   4.211  -9.686
  537   1HG   GLU  70          HG2       GLU  70 -22.660   5.605  -8.002
  538   2HG   GLU  70          HG1       GLU  70 -21.322   6.750  -8.082
  539    H    LEU  71           HN       LEU  71 -21.326   5.029  -5.742
  540    HA   LEU  71           HA       LEU  71 -23.073   2.741  -5.170
  541   1HB   LEU  71          HB2       LEU  71 -21.461   4.092  -3.506
  542   2HB   LEU  71          HB1       LEU  71 -22.880   5.106  -3.359
  543    HG   LEU  71           HG       LEU  71 -22.676   2.176  -2.656
  544   1HD1  LEU  71          HD11      LEU  71 -23.097   2.933  -0.394
  545   2HD1  LEU  71          HD12      LEU  71 -23.187   4.604  -0.952
  546   3HD1  LEU  71          HD13      LEU  71 -21.663   3.722  -1.051
  547   1HD2  LEU  71          HD21      LEU  71 -25.066   4.003  -2.692
  548   2HD2  LEU  71          HD22      LEU  71 -25.007   2.492  -1.783
  549   3HD2  LEU  71          HD23      LEU  71 -24.863   2.471  -3.544
  550    H    ARG  72           HN       ARG  72 -24.875   3.019  -6.504
  551    HA   ARG  72           HA       ARG  72 -26.037   5.556  -7.005
  552   1HB   ARG  72          HB2       ARG  72 -26.557   3.682  -8.498
  553   2HB   ARG  72          HB1       ARG  72 -27.257   2.777  -7.160
  554   1HG   ARG  72          HG2       ARG  72 -29.052   4.405  -6.973
  555   2HG   ARG  72          HG1       ARG  72 -28.345   5.352  -8.285
  556   1HD   ARG  72          HD2       ARG  72 -28.684   3.510  -9.830
  557   2HD   ARG  72          HD1       ARG  72 -29.313   2.505  -8.525
  558    HE   ARG  72           HE       ARG  72 -30.797   4.913  -8.773
  559   1HH1  ARG  72          HH11      ARG  72 -30.336   1.785 -10.237
  560   2HH1  ARG  72          HH12      ARG  72 -31.940   1.711 -10.887
  561   1HH2  ARG  72          HH21      ARG  72 -32.910   4.821  -9.619
  562   2HH2  ARG  72          HH22      ARG  72 -33.404   3.435 -10.535
  563    H    ASN  73           HN       ASN  73 -27.121   6.825  -5.849
  564    HA   ASN  73           HA       ASN  73 -28.151   7.749  -4.039
  565   1HB   ASN  73          HB2       ASN  73 -29.313   4.958  -3.731
  566   2HB   ASN  73          HB1       ASN  73 -29.911   6.405  -2.926
  567   1HD2  ASN  73          HD21      ASN  73 -31.225   4.553  -4.783
  568   2HD2  ASN  73          HD22      ASN  73 -31.803   5.530  -6.086
  569    H    GLY  74           HN       GLY  74 -25.574   7.155  -3.681
  570   1HA   GLY  74          HA2       GLY  74 -25.362   6.773  -0.906
  571   2HA   GLY  74          HA1       GLY  74 -24.871   5.301  -1.724
  572    H    GLN  75           HN       GLN  75 -22.956   6.255  -0.280
  573    HA   GLN  75           HA       GLN  75 -21.150   7.567  -2.189
  574   1HB   GLN  75          HB2       GLN  75 -21.443   8.253   0.738
  575   2HB   GLN  75          HB1       GLN  75 -20.143   8.833  -0.292
  576   1HG   GLN  75          HG2       GLN  75 -23.072   9.377  -0.712
  577   2HG   GLN  75          HG1       GLN  75 -21.913  10.494   0.011
  578   1HE2  GLN  75          HE21      GLN  75 -23.550  10.818  -2.368
  579   2HE2  GLN  75          HE22      GLN  75 -22.455  11.114  -3.672
  580    H    VAL  76           HN       VAL  76 -19.142   6.742  -2.303
  581    HA   VAL  76           HA       VAL  76 -18.527   4.487  -0.505
  582    HB   VAL  76           HB       VAL  76 -17.238   5.027  -3.181
  583   1HG1  VAL  76          HG11      VAL  76 -16.492   2.709  -2.990
  584   2HG1  VAL  76          HG12      VAL  76 -17.309   2.566  -1.433
  585   3HG1  VAL  76          HG13      VAL  76 -15.938   3.661  -1.612
  586   1HG2  VAL  76          HG21      VAL  76 -18.673   3.227  -4.058
  587   2HG2  VAL  76          HG22      VAL  76 -19.606   4.631  -3.540
  588   3HG2  VAL  76          HG23      VAL  76 -19.541   3.192  -2.523
  589    H    GLU  77           HN       GLU  77 -17.251   5.206   1.142
  590    HA   GLU  77           HA       GLU  77 -15.529   7.447   0.892
  591   1HB   GLU  77          HB2       GLU  77 -16.465   6.780   3.057
  592   2HB   GLU  77          HB1       GLU  77 -15.567   5.269   2.989
  593   1HG   GLU  77          HG2       GLU  77 -14.386   6.728   4.433
  594   2HG   GLU  77          HG1       GLU  77 -13.465   6.616   2.936
  595    H    ILE  78           HN       ILE  78 -13.926   7.328  -0.561
  596    HA   ILE  78           HA       ILE  78 -12.067   5.052  -0.347
  597    HB   ILE  78           HB       ILE  78 -12.823   6.592  -2.831
  598   1HG1  ILE  78          HG12      ILE  78 -14.466   4.904  -2.163
  599   2HG1  ILE  78          HG11      ILE  78 -13.629   4.414  -3.633
  600   1HG2  ILE  78          HG21      ILE  78 -10.793   4.385  -2.520
  601   2HG2  ILE  78          HG22      ILE  78 -10.426   6.087  -2.792
  602   3HG2  ILE  78          HG23      ILE  78 -11.269   5.159  -4.032
  603   1HD1  ILE  78          HD11      ILE  78 -13.108   3.389  -0.854
  604   2HD1  ILE  78          HD12      ILE  78 -12.199   2.933  -2.296
  605   3HD1  ILE  78          HD13      ILE  78 -13.911   2.527  -2.167
  606    H    LYS  79           HN       LYS  79  -9.883   5.482  -0.402
  607    HA   LYS  79           HA       LYS  79  -8.818   8.065  -0.959
  608   1HB   LYS  79          HB2       LYS  79  -8.032   8.587   1.315
  609   2HB   LYS  79          HB1       LYS  79  -9.786   8.586   1.219
  610   1HG   LYS  79          HG2       LYS  79  -8.206   6.226   2.203
  611   2HG   LYS  79          HG1       LYS  79  -8.763   7.521   3.264
  612   1HD   LYS  79          HD2       LYS  79 -11.093   7.059   2.417
  613   2HD   LYS  79          HD1       LYS  79 -10.436   5.617   1.635
  614   1HE   LYS  79          HE2       LYS  79  -9.785   4.690   3.739
  615   2HE   LYS  79          HE1       LYS  79 -10.172   6.188   4.582
  616   1HZ   LYS  79          HZ1       LYS  79 -12.127   4.418   3.214
  617   2HZ   LYS  79          HZ2       LYS  79 -12.499   5.851   4.030
  618   3HZ   LYS  79          HZ3       LYS  79 -11.895   4.526   4.887
  619    H    THR  80           HN       THR  80  -8.342   5.048   0.812
  620    HA   THR  80           HA       THR  80  -5.497   5.096   0.494
  621    HB   THR  80           HB       THR  80  -5.493   2.959   1.586
  622    HG1  THR  80           HG1      THR  80  -7.418   2.191   0.374
  623   1HG2  THR  80          HG21      THR  80  -5.776   4.605   3.199
  624   2HG2  THR  80          HG22      THR  80  -7.128   3.523   3.533
  625   3HG2  THR  80          HG23      THR  80  -7.396   5.020   2.636
  626    H    ASP  81           HN       ASP  81  -7.436   4.942  -1.943
  627    HA   ASP  81           HA       ASP  81  -7.335   4.005  -4.054
  628   1HB   ASP  81          HB2       ASP  81  -4.676   3.140  -2.959
  629   2HB   ASP  81          HB1       ASP  81  -5.164   2.870  -4.629
  630    H    LEU  82           HN       LEU  82  -7.945   2.386  -1.445
  631    HA   LEU  82           HA       LEU  82  -8.808   0.345  -0.928
  632   1HB   LEU  82          HB2       LEU  82  -8.647   0.031  -3.920
  633   2HB   LEU  82          HB1       LEU  82  -9.280  -1.228  -2.878
  634    HG   LEU  82           HG       LEU  82 -11.176  -0.121  -3.693
  635   1HD1  LEU  82          HD11      LEU  82 -11.276  -0.451  -1.283
  636   2HD1  LEU  82          HD12      LEU  82 -12.154   1.005  -1.755
  637   3HD1  LEU  82          HD13      LEU  82 -10.553   1.137  -1.025
  638   1HD2  LEU  82          HD21      LEU  82 -10.004   1.799  -4.658
  639   2HD2  LEU  82          HD22      LEU  82  -9.846   2.505  -3.049
  640   3HD2  LEU  82          HD23      LEU  82 -11.443   2.290  -3.765
  641    H    SER  83           HN       SER  83  -6.304   0.587  -0.262
  642    HA   SER  83           HA       SER  83  -4.680  -1.504  -1.446
  643   1HB   SER  83          HB2       SER  83  -4.181   0.361   0.891
  644   2HB   SER  83          HB1       SER  83  -3.008  -0.806   0.280
  645    HG   SER  83           HG       SER  83  -2.591   1.165  -0.673
  646    H    PHE  84           HN       PHE  84  -4.639  -3.548  -0.743
  647    HA   PHE  84           HA       PHE  84  -6.375  -4.792   0.860
  648   1HB   PHE  84          HB2       PHE  84  -4.820  -6.125  -0.314
  649   2HB   PHE  84          HB1       PHE  84  -3.447  -5.366   0.478
  650    HD1  PHE  84           HD1      PHE  84  -6.018  -7.915   0.717
  651    HD2  PHE  84           HD2      PHE  84  -2.822  -5.984   2.757
  652    HE1  PHE  84           HE1      PHE  84  -5.959  -9.751   2.354
  653    HE2  PHE  84           HE2      PHE  84  -2.757  -7.816   4.399
  654    HZ   PHE  84           HZ       PHE  84  -4.327  -9.704   4.198
  655    H    GLY  85           HN       GLY  85  -6.774  -5.160   2.994
  656   1HA   GLY  85          HA2       GLY  85  -6.452  -5.071   5.297
  657   2HA   GLY  85          HA1       GLY  85  -4.910  -4.274   5.025
  658    H    SER  86           HN       SER  86  -7.787  -3.041   3.482
  659    HA   SER  86           HA       SER  86  -7.873  -0.877   5.473
  660   1HB   SER  86          HB2       SER  86  -8.371   0.718   3.634
  661   2HB   SER  86          HB1       SER  86  -6.755   0.011   3.521
  662    HG   SER  86           HG       SER  86  -7.637  -0.123   1.504
  663    H    GLN  87           HN       GLN  87  -9.816   0.314   5.589
  664    HA   GLN  87           HA       GLN  87 -12.185  -1.276   4.849
  665   1HB   GLN  87          HB2       GLN  87 -12.261  -1.471   7.130
  666   2HB   GLN  87          HB1       GLN  87 -11.395   0.033   7.398
  667   1HG   GLN  87          HG2       GLN  87 -14.139   0.217   6.298
  668   2HG   GLN  87          HG1       GLN  87 -13.959  -0.260   7.986
  669   1HE2  GLN  87          HE21      GLN  87 -13.622   2.284   5.677
  670   2HE2  GLN  87          HE22      GLN  87 -13.276   3.548   6.798
  671    H    ILE  88           HN       ILE  88 -13.775  -0.261   3.756
  672    HA   ILE  88           HA       ILE  88 -13.637   2.674   3.528
  673    HB   ILE  88           HB       ILE  88 -14.493   2.464   1.208
  674   1HG1  ILE  88          HG12      ILE  88 -13.742  -0.455   1.460
  675   2HG1  ILE  88          HG11      ILE  88 -15.400   0.139   1.503
  676   1HG2  ILE  88          HG21      ILE  88 -12.352   1.892   0.208
  677   2HG2  ILE  88          HG22      ILE  88 -11.851   1.096   1.700
  678   3HG2  ILE  88          HG23      ILE  88 -12.118   2.840   1.678
  679   1HD1  ILE  88          HD11      ILE  88 -13.531   0.601  -0.801
  680   2HD1  ILE  88          HD12      ILE  88 -15.269   0.898  -0.742
  681   3HD1  ILE  88          HD13      ILE  88 -14.653  -0.755  -0.698
  682    H    GLU  89           HN       GLU  89 -15.309   3.427   4.646
  683    HA   GLU  89           HA       GLU  89 -17.718   1.941   5.029
  684   1HB   GLU  89          HB2       GLU  89 -17.650   4.870   5.554
  685   2HB   GLU  89          HB1       GLU  89 -18.330   3.572   6.524
  686   1HG   GLU  89          HG2       GLU  89 -16.123   2.912   7.252
  687   2HG   GLU  89          HG1       GLU  89 -15.398   4.133   6.206
  688    H    PHE  90           HN       PHE  90 -19.885   3.006   4.604
  689    HA   PHE  90           HA       PHE  90 -19.870   4.309   1.970
  690   1HB   PHE  90          HB2       PHE  90 -21.867   2.241   2.918
  691   2HB   PHE  90          HB1       PHE  90 -21.873   3.050   1.355
  692    HD1  PHE  90           HD1      PHE  90 -20.425   2.359  -0.408
  693    HD2  PHE  90           HD2      PHE  90 -20.143   0.577   3.450
  694    HE1  PHE  90           HE1      PHE  90 -19.017   0.573  -1.342
  695    HE2  PHE  90           HE2      PHE  90 -18.731  -1.211   2.520
  696    HZ   PHE  90           HZ       PHE  90 -18.166  -1.214   0.123
  697    H    SER  91           HN       SER  91 -22.374   5.022   1.578
  698    HA   SER  91           HA       SER  91 -23.610   6.081   3.941
  699   1HB   SER  91          HB2       SER  91 -22.209   7.992   2.067
  700   2HB   SER  91          HB1       SER  91 -23.384   8.474   3.291
  701    HG   SER  91           HG       SER  91 -20.751   7.744   3.570
  702    H    CYS  92           HN       CYS  92 -25.648   5.657   3.494
  703    HA   CYS  92           HA       CYS  92 -26.598   5.880   0.759
  704   1HB   CYS  92          HB2       CYS  92 -27.861   4.816   3.278
  705   2HB   CYS  92          HB1       CYS  92 -28.794   5.062   1.807
  706    H    SER  93           HN       SER  93 -27.589   7.571  -0.026
  707    HA   SER  93           HA       SER  93 -27.693  10.050   1.050
  708   1HB   SER  93          HB2       SER  93 -29.505   8.799  -1.002
  709   2HB   SER  93          HB1       SER  93 -29.585  10.514  -0.593
  710    HG   SER  93           HG       SER  93 -27.651  10.835  -1.482
  711    H    GLU  94           HN       GLU  94 -29.476  11.454   1.550
  712    HA   GLU  94           HA       GLU  94 -30.713  11.323   3.878
  713   1HB   GLU  94          HB2       GLU  94 -30.980  13.243   2.512
  714   2HB   GLU  94          HB1       GLU  94 -31.881  12.338   1.306
  715   1HG   GLU  94          HG2       GLU  94 -33.379  13.718   2.567
  716   2HG   GLU  94          HG1       GLU  94 -33.694  12.022   2.928
  717    H    GLY  95           HN       GLY  95 -32.845  10.425   1.190
  718   1HA   GLY  95          HA2       GLY  95 -34.665   9.219   3.032
  719   2HA   GLY  95          HA1       GLY  95 -34.803   9.214   1.286
  720    H    PHE  96           HN       PHE  96 -31.886   7.935   1.487
  721    HA   PHE  96           HA       PHE  96 -33.006   5.215   1.731
  722   1HB   PHE  96          HB2       PHE  96 -30.566   5.965   0.119
  723   2HB   PHE  96          HB1       PHE  96 -31.503   4.475   0.042
  724    HD1  PHE  96           HD1      PHE  96 -30.904   7.548  -1.509
  725    HD2  PHE  96           HD2      PHE  96 -34.040   4.820  -0.605
  726    HE1  PHE  96           HE1      PHE  96 -32.255   8.505  -3.330
  727    HE2  PHE  96           HE2      PHE  96 -35.397   5.768  -2.424
  728    HZ   PHE  96           HZ       PHE  96 -34.505   7.613  -3.791
  729    H    PHE  97           HN       PHE  97 -32.163   3.900   3.219
  730    HA   PHE  97           HA       PHE  97 -29.854   4.887   4.722
  731   1HB   PHE  97          HB2       PHE  97 -30.523   3.349   6.496
  732   2HB   PHE  97          HB1       PHE  97 -31.859   4.395   6.038
  733    HD1  PHE  97           HD1      PHE  97 -33.528   3.400   4.302
  734    HD2  PHE  97           HD2      PHE  97 -30.869   1.085   6.685
  735    HE1  PHE  97           HE1      PHE  97 -34.981   1.438   4.005
  736    HE2  PHE  97           HE2      PHE  97 -32.319  -0.883   6.392
  737    HZ   PHE  97           HZ       PHE  97 -34.377  -0.708   5.050
  738    H    LEU  98           HN       LEU  98 -28.389   3.260   5.605
  739    HA   LEU  98           HA       LEU  98 -27.261   1.732   3.428
  740   1HB   LEU  98          HB2       LEU  98 -26.019   3.225   5.085
  741   2HB   LEU  98          HB1       LEU  98 -26.247   1.948   6.259
  742    HG   LEU  98           HG       LEU  98 -24.007   1.917   5.250
  743   1HD1  LEU  98          HD11      LEU  98 -25.488  -0.511   4.300
  744   2HD1  LEU  98          HD12      LEU  98 -25.247  -0.173   6.014
  745   3HD1  LEU  98          HD13      LEU  98 -23.853  -0.398   4.955
  746   1HD2  LEU  98          HD21      LEU  98 -23.683   1.318   2.938
  747   2HD2  LEU  98          HD22      LEU  98 -24.635   2.799   3.051
  748   3HD2  LEU  98          HD23      LEU  98 -25.428   1.267   2.680
  749    H    ILE  99           HN       ILE  99 -27.185  -0.422   3.234
  750    HA   ILE  99           HA       ILE  99 -27.663  -2.243   5.440
  751    HB   ILE  99           HB       ILE  99 -29.327  -2.953   3.132
  752   1HG1  ILE  99          HG12      ILE  99 -30.448  -0.837   4.941
  753   2HG1  ILE  99          HG11      ILE  99 -29.615  -0.408   3.451
  754   1HG2  ILE  99          HG21      ILE  99 -29.873  -2.857   6.093
  755   2HG2  ILE  99          HG22      ILE  99 -29.248  -4.241   5.197
  756   3HG2  ILE  99          HG23      ILE  99 -30.877  -3.647   4.877
  757   1HD1  ILE  99          HD11      ILE  99 -32.083  -2.110   3.694
  758   2HD1  ILE  99          HD12      ILE  99 -31.223  -1.778   2.190
  759   3HD1  ILE  99          HD13      ILE  99 -31.989  -0.460   3.077
  760    H    GLY 100           HN       GLY 100 -26.303  -3.814   5.195
  761   1HA   GLY 100          HA2       GLY 100 -25.796  -5.643   3.375
  762   2HA   GLY 100          HA1       GLY 100 -25.007  -4.259   2.615
  763    H    SER 101           HN       SER 101 -23.639  -2.997   4.221
  764    HA   SER 101           HA       SER 101 -22.352  -4.031   6.417
  765   1HB   SER 101          HB2       SER 101 -21.632  -5.885   4.896
  766   2HB   SER 101          HB1       SER 101 -20.834  -4.692   3.872
  767    HG   SER 101           HG       SER 101 -20.015  -5.791   6.234
  768    H    THR 102           HN       THR 102 -22.076  -1.934   7.085
  769    HA   THR 102           HA       THR 102 -21.532   0.204   5.347
  770    HB   THR 102           HB       THR 102 -21.197   1.565   7.307
  771    HG1  THR 102           HG1      THR 102 -21.334   0.153   9.391
  772   1HG2  THR 102          HG21      THR 102 -23.511   0.867   6.850
  773   2HG2  THR 102          HG22      THR 102 -23.227   1.103   8.574
  774   3HG2  THR 102          HG23      THR 102 -23.289  -0.528   7.905
  775    H    THR 103           HN       THR 103 -19.542  -2.241   6.499
  776    HA   THR 103           HA       THR 103 -17.174  -0.605   5.923
  777    HB   THR 103           HB       THR 103 -15.890  -2.171   7.277
  778    HG1  THR 103           HG1      THR 103 -18.416  -3.405   7.603
  779   1HG2  THR 103          HG21      THR 103 -16.708  -1.479   9.463
  780   2HG2  THR 103          HG22      THR 103 -18.268  -1.062   8.754
  781   3HG2  THR 103          HG23      THR 103 -16.826  -0.153   8.306
  782    H    SER 104           HN       SER 104 -15.446  -1.656   4.770
  783    HA   SER 104           HA       SER 104 -16.044  -4.176   3.480
  784   1HB   SER 104          HB2       SER 104 -15.721  -1.562   1.999
  785   2HB   SER 104          HB1       SER 104 -15.384  -3.115   1.235
  786    HG   SER 104           HG       SER 104 -17.443  -3.229   0.898
  787    H    ARG 105           HN       ARG 105 -14.308  -5.309   3.891
  788    HA   ARG 105           HA       ARG 105 -11.722  -3.978   4.223
  789   1HB   ARG 105          HB2       ARG 105 -12.522  -6.824   4.856
  790   2HB   ARG 105          HB1       ARG 105 -10.991  -6.062   5.269
  791   1HG   ARG 105          HG2       ARG 105 -12.184  -4.472   6.706
  792   2HG   ARG 105          HG1       ARG 105 -13.704  -5.277   6.314
  793   1HD   ARG 105          HD2       ARG 105 -12.929  -7.328   7.321
  794   2HD   ARG 105          HD1       ARG 105 -11.339  -6.623   7.610
  795    HE   ARG 105           HE       ARG 105 -13.101  -4.975   8.911
  796   1HH1  ARG 105          HH11      ARG 105 -12.309  -8.365   9.022
  797   2HH1  ARG 105          HH12      ARG 105 -12.688  -8.532  10.704
  798   1HH2  ARG 105          HH21      ARG 105 -13.602  -5.184  11.127
  799   2HH2  ARG 105          HH22      ARG 105 -13.426  -6.724  11.899
  800    H    CYS 106           HN       CYS 106  -9.909  -4.518   3.109
  801    HA   CYS 106           HA       CYS 106 -10.334  -5.828   0.536
  802   1HB   CYS 106          HB2       CYS 106  -8.634  -3.678   1.531
  803   2HB   CYS 106          HB1       CYS 106  -7.728  -4.863   0.598
  804    H    GLU 107           HN       GLU 107  -9.809  -7.897   0.353
  805    HA   GLU 107           HA       GLU 107  -7.672  -8.949   2.077
  806   1HB   GLU 107          HB2       GLU 107 -10.349  -9.633   2.112
  807   2HB   GLU 107          HB1       GLU 107  -9.614 -10.922   1.163
  808   1HG   GLU 107          HG2       GLU 107  -8.566 -10.078   3.847
  809   2HG   GLU 107          HG1       GLU 107  -9.812 -11.308   3.651
  810    H    VAL 108           HN       VAL 108  -7.057 -11.247   1.116
  811    HA   VAL 108           HA       VAL 108  -6.787 -11.008  -1.801
  812    HB   VAL 108           HB       VAL 108  -4.521 -11.341   0.137
  813   1HG1  VAL 108          HG11      VAL 108  -4.417 -11.848  -2.838
  814   2HG1  VAL 108          HG12      VAL 108  -4.355 -13.104  -1.599
  815   3HG1  VAL 108          HG13      VAL 108  -3.062 -11.910  -1.711
  816   1HG2  VAL 108          HG21      VAL 108  -5.362  -9.087  -0.718
  817   2HG2  VAL 108          HG22      VAL 108  -4.705  -9.575  -2.281
  818   3HG2  VAL 108          HG23      VAL 108  -3.638  -9.423  -0.883
  819    H    GLN 109           HN       GLN 109  -7.075 -12.732  -2.913
  820    HA   GLN 109           HA       GLN 109  -6.829 -15.375  -1.636
  821   1HB   GLN 109          HB2       GLN 109  -8.902 -14.550  -3.680
  822   2HB   GLN 109          HB1       GLN 109  -8.758 -16.133  -2.927
  823   1HG   GLN 109          HG2       GLN 109  -9.295 -15.180  -0.763
  824   2HG   GLN 109          HG1       GLN 109  -9.370 -13.568  -1.473
  825   1HE2  GLN 109          HE21      GLN 109 -11.500 -13.270  -0.847
  826   2HE2  GLN 109          HE22      GLN 109 -12.813 -14.089  -1.613
  827    H    ASP 110           HN       ASP 110  -5.912 -16.997  -2.857
  828    HA   ASP 110           HA       ASP 110  -4.577 -17.933  -4.433
  829   1HB   ASP 110          HB2       ASP 110  -6.254 -16.124  -6.147
  830   2HB   ASP 110          HB1       ASP 110  -5.018 -17.168  -6.842
  831    H    ARG 111           HN       ARG 111  -4.636 -14.957  -6.241
  832    HA   ARG 111           HA       ARG 111  -2.287 -13.843  -5.109
  833   1HB   ARG 111          HB2       ARG 111  -0.742 -14.228  -6.925
  834   2HB   ARG 111          HB1       ARG 111  -1.323 -15.774  -6.323
  835   1HG   ARG 111          HG2       ARG 111  -2.860 -15.952  -8.193
  836   2HG   ARG 111          HG1       ARG 111  -2.330 -14.379  -8.792
  837   1HD   ARG 111          HD2       ARG 111  -0.037 -15.281  -9.012
  838   2HD   ARG 111          HD1       ARG 111  -0.639 -16.861  -8.513
  839    HE   ARG 111           HE       ARG 111  -2.141 -15.949 -10.706
  840   1HH1  ARG 111          HH11      ARG 111   1.053 -17.109  -9.928
  841   2HH1  ARG 111          HH12      ARG 111   1.341 -17.758 -11.507
  842   1HH2  ARG 111          HH21      ARG 111  -1.767 -16.799 -12.789
  843   2HH2  ARG 111          HH22      ARG 111  -0.260 -17.580 -13.134
  844    H    GLY 112           HN       GLY 112  -5.012 -13.134  -6.022
  845   1HA   GLY 112          HA2       GLY 112  -4.216 -10.814  -7.642
  846   2HA   GLY 112          HA1       GLY 112  -5.599 -11.777  -8.138
  847    H    VAL 113           HN       VAL 113  -4.998 -11.394  -4.795
  848    HA   VAL 113           HA       VAL 113  -6.214 -10.529  -3.110
  849    HB   VAL 113           HB       VAL 113  -5.439  -8.460  -3.047
  850   1HG1  VAL 113          HG11      VAL 113  -4.804  -7.148  -4.943
  851   2HG1  VAL 113          HG12      VAL 113  -5.806  -8.134  -6.009
  852   3HG1  VAL 113          HG13      VAL 113  -4.378  -8.836  -5.241
  853   1HG2  VAL 113          HG21      VAL 113  -7.670  -7.775  -2.803
  854   2HG2  VAL 113          HG22      VAL 113  -7.972  -7.880  -4.538
  855   3HG2  VAL 113          HG23      VAL 113  -6.913  -6.619  -3.901
  856    H    GLY 114           HN       GLY 114  -8.289 -10.254  -2.250
  857   1HA   GLY 114          HA2       GLY 114 -10.393 -10.444  -4.294
  858   2HA   GLY 114          HA1       GLY 114 -10.391 -11.403  -2.824
  859    H    TRP 115           HN       TRP 115 -12.343  -9.397  -3.899
  860    HA   TRP 115           HA       TRP 115 -12.265  -7.413  -1.757
  861   1HB   TRP 115          HB2       TRP 115 -13.140  -7.279  -4.456
  862   2HB   TRP 115          HB1       TRP 115 -14.559  -7.085  -3.441
  863    HD1  TRP 115           HD1      TRP 115 -12.496  -4.922  -5.209
  864    HE1  TRP 115           HE1      TRP 115 -12.110  -2.658  -4.046
  865    HE3  TRP 115           HE3      TRP 115 -13.915  -6.184  -0.458
  866    HZ2  TRP 115           HZ2      TRP 115 -12.366  -1.556  -1.468
  867    HZ3  TRP 115           HZ3      TRP 115 -13.811  -4.462   1.297
  868    HH2  TRP 115           HH2      TRP 115 -13.052  -2.197   0.800
  869    H    SER 116           HN       SER 116 -13.322  -7.873   0.063
  870    HA   SER 116           HA       SER 116 -14.902 -10.073   0.539
  871   1HB   SER 116          HB2       SER 116 -15.774  -8.813   2.525
  872   2HB   SER 116          HB1       SER 116 -14.017  -8.775   2.375
  873    HG   SER 116           HG       SER 116 -14.905  -6.710   1.031
  874    H    HIS 117           HN       HIS 117 -16.211  -6.767   0.283
  875    HA   HIS 117           HA       HIS 117 -18.389  -7.715  -1.385
  876   1HB   HIS 117          HB2       HIS 117 -18.803  -6.632   1.399
  877   2HB   HIS 117          HB1       HIS 117 -20.067  -6.575   0.176
  878    HD1  HIS 117           HD1      HIS 117 -18.731  -8.689   2.777
  879    HD2  HIS 117           HD2      HIS 117 -20.751  -9.284  -0.804
  880    HE1  HIS 117           HE1      HIS 117 -19.655 -11.024   2.908
  881    HE2  HIS 117           HE2      HIS 117 -20.954 -11.327   0.770
  882    HA   PRO 118           HA       PRO 118 -17.839  -3.542  -2.809
  883   1HB   PRO 118          HB2       PRO 118 -19.832  -3.731  -4.752
  884   2HB   PRO 118          HB1       PRO 118 -18.156  -4.243  -4.943
  885   1HG   PRO 118          HG2       PRO 118 -20.461  -5.892  -4.903
  886   2HG   PRO 118          HG1       PRO 118 -18.770  -6.415  -4.931
  887   1HD   PRO 118          HD2       PRO 118 -20.648  -6.209  -2.644
  888   2HD   PRO 118          HD1       PRO 118 -19.266  -7.304  -2.881
  889    H    LEU 119           HN       LEU 119 -20.183  -2.308  -4.113
  890    HA   LEU 119           HA       LEU 119 -21.150  -0.678  -2.167
  891   1HB   LEU 119          HB2       LEU 119 -22.962  -1.511  -4.393
  892   2HB   LEU 119          HB1       LEU 119 -22.719   0.070  -3.691
  893    HG   LEU 119           HG       LEU 119 -21.746   0.302  -5.762
  894   1HD1  LEU 119          HD11      LEU 119 -19.449  -0.621  -4.058
  895   2HD1  LEU 119          HD12      LEU 119 -20.200   0.974  -3.982
  896   3HD1  LEU 119          HD13      LEU 119 -19.364   0.462  -5.449
  897   1HD2  LEU 119          HD21      LEU 119 -21.939  -2.070  -6.389
  898   2HD2  LEU 119          HD22      LEU 119 -20.455  -2.400  -5.494
  899   3HD2  LEU 119          HD23      LEU 119 -20.419  -1.342  -6.905
  900    HA   PRO 120           HA       PRO 120 -24.068  -3.127   0.122
  901   1HB   PRO 120          HB2       PRO 120 -25.177  -1.213   1.598
  902   2HB   PRO 120          HB1       PRO 120 -23.459  -1.597   1.773
  903   1HG   PRO 120          HG2       PRO 120 -24.757   0.643   0.262
  904   2HG   PRO 120          HG1       PRO 120 -23.337   0.689   1.323
  905   1HD   PRO 120          HD2       PRO 120 -23.223   0.551  -1.428
  906   2HD   PRO 120          HD1       PRO 120 -21.932   0.004  -0.339
  907    H    GLN 121           HN       GLN 121 -26.489  -1.402   0.941
  908    HA   GLN 121           HA       GLN 121 -28.000  -1.427  -1.572
  909   1HB   GLN 121          HB2       GLN 121 -28.287  -3.596  -0.280
  910   2HB   GLN 121          HB1       GLN 121 -29.066  -2.645   0.976
  911   1HG   GLN 121          HG2       GLN 121 -30.834  -3.488  -0.263
  912   2HG   GLN 121          HG1       GLN 121 -30.644  -1.844  -0.869
  913   1HE2  GLN 121          HE21      GLN 121 -28.474  -4.459  -1.661
  914   2HE2  GLN 121          HE22      GLN 121 -28.916  -4.584  -3.326
  915    H    CYS 122           HN       CYS 122 -28.693   0.636  -1.773
  916    HA   CYS 122           HA       CYS 122 -29.488   2.054   0.672
  917   1HB   CYS 122          HB2       CYS 122 -28.810   3.090  -2.084
  918   2HB   CYS 122          HB1       CYS 122 -29.414   4.102  -0.776
  919    H    GLU 123           HN       GLU 123 -31.564   1.764   1.137
  920    HA   GLU 123           HA       GLU 123 -33.549   2.061  -1.031
  921   1HB   GLU 123          HB2       GLU 123 -33.283  -0.322  -0.238
  922   2HB   GLU 123          HB1       GLU 123 -33.829   0.216   1.344
  923   1HG   GLU 123          HG2       GLU 123 -35.664  -0.768   0.150
  924   2HG   GLU 123          HG1       GLU 123 -35.943   0.963   0.335
  925    H    ILE 124           HN       ILE 124 -35.494   2.997  -0.505
  926    HA   ILE 124           HA       ILE 124 -35.329   5.244   1.141
  927    HB   ILE 124           HB       ILE 124 -36.918   4.986  -0.747
  928   1HG1  ILE 124          HG12      ILE 124 -38.907   6.014   0.489
  929   2HG1  ILE 124          HG11      ILE 124 -37.975   5.770   1.963
  930   1HG2  ILE 124          HG21      ILE 124 -38.475   3.262   1.173
  931   2HG2  ILE 124          HG22      ILE 124 -37.651   2.703  -0.282
  932   3HG2  ILE 124          HG23      ILE 124 -39.022   3.805  -0.413
  933   1HD1  ILE 124          HD11      ILE 124 -37.184   7.460  -0.393
  934   2HD1  ILE 124          HD12      ILE 124 -36.181   7.165   1.029
  935   3HD1  ILE 124          HD13      ILE 124 -37.711   8.028   1.192
  936    H    LEU 125           HN       LEU 125 -35.979   5.699   3.200
  937    HA   LEU 125           HA       LEU 125 -36.746   3.393   4.855
  938   1HB   LEU 125          HB2       LEU 125 -35.805   4.699   6.754
  939   2HB   LEU 125          HB1       LEU 125 -34.629   4.240   5.539
  940    HG   LEU 125           HG       LEU 125 -35.132   6.656   4.602
  941   1HD1  LEU 125          HD11      LEU 125 -35.572   8.260   6.369
  942   2HD1  LEU 125          HD12      LEU 125 -35.762   6.950   7.536
  943   3HD1  LEU 125          HD13      LEU 125 -36.918   7.130   6.216
  944   1HD2  LEU 125          HD21      LEU 125 -33.430   6.204   7.048
  945   2HD2  LEU 125          HD22      LEU 125 -33.225   7.471   5.838
  946   3HD2  LEU 125          HD23      LEU 125 -32.967   5.780   5.400
  947    H    GLU 126           HN       GLU 126 -37.905   6.263   3.557
  948    HA   GLU 126           HA       GLU 126 -39.892   6.595   5.697
  949   1HB   GLU 126          HB2       GLU 126 -38.622   8.613   5.026
  950   2HB   GLU 126          HB1       GLU 126 -39.251   8.445   3.392
  951   1HG   GLU 126          HG2       GLU 126 -41.528   8.747   4.247
  952   2HG   GLU 126          HG1       GLU 126 -40.879   8.949   5.873
  953    H    HIS 127           HN       HIS 127 -41.640   5.389   5.372
  954    HA   HIS 127           HA       HIS 127 -42.963   5.528   2.765
  955   1HB   HIS 127          HB2       HIS 127 -41.634   3.414   2.868
  956   2HB   HIS 127          HB1       HIS 127 -42.581   2.934   4.273
  957    HD1  HIS 127           HD1      HIS 127 -42.663   3.057   0.584
  958    HD2  HIS 127           HD2      HIS 127 -45.312   2.317   3.699
  959    HE1  HIS 127           HE1      HIS 127 -44.668   1.972  -0.480
  960    HE2  HIS 127           HE2      HIS 127 -46.274   1.569   1.419
  961    H    HIS 128           HN       HIS 128 -43.146   4.625   6.174
  962    HA   HIS 128           HA       HIS 128 -46.045   5.144   6.104
  963   1HB   HIS 128          HB2       HIS 128 -44.422   3.484   8.046
  964   2HB   HIS 128          HB1       HIS 128 -46.144   3.811   8.207
  965    HD1  HIS 128           HD1      HIS 128 -43.756   1.547   6.607
  966    HD2  HIS 128           HD2      HIS 128 -47.745   2.599   6.114
  967    HE1  HIS 128           HE1      HIS 128 -44.759  -0.269   5.186
  968    HE2  HIS 128           HE2      HIS 128 -47.175   0.385   4.902
  969    H    HIS 129           HN       HIS 129 -46.883   6.731   7.352
  970    HA   HIS 129           HA       HIS 129 -45.068   8.596   8.558
  971   1HB   HIS 129          HB2       HIS 129 -48.061   8.514   8.249
  972   2HB   HIS 129          HB1       HIS 129 -47.260   9.776   9.181
  973    HD1  HIS 129           HD1      HIS 129 -46.547  11.768   7.893
  974    HD2  HIS 129           HD2      HIS 129 -47.074   8.448   5.452
  975    HE1  HIS 129           HE1      HIS 129 -46.207  12.599   5.545
  976    HE2  HIS 129           HE2      HIS 129 -46.399  10.545   4.099
  977    H    HIS 130           HN       HIS 130 -44.467   8.740  10.602
  978    HA   HIS 130           HA       HIS 130 -45.166   6.751  12.493
  979   1HB   HIS 130          HB2       HIS 130 -42.971   7.833  12.495
  980   2HB   HIS 130          HB1       HIS 130 -43.719   9.380  12.880
  981    HD1  HIS 130           HD1      HIS 130 -44.706   9.638  15.306
  982    HD2  HIS 130           HD2      HIS 130 -42.517   6.167  14.651
  983    HE1  HIS 130           HE1      HIS 130 -44.210   8.716  17.591
  984    HE2  HIS 130           HE2      HIS 130 -42.806   6.665  17.172
  985    H    HIS 131           HN       HIS 131 -46.820   6.650  13.843
  986    HA   HIS 131           HA       HIS 131 -47.968   9.049  14.992
  987   1HB   HIS 131          HB2       HIS 131 -49.222   8.761  12.869
  988   2HB   HIS 131          HB1       HIS 131 -49.695   7.147  13.392
  989    HD1  HIS 131           HD1      HIS 131 -51.906   7.039  14.488
  990    HD2  HIS 131           HD2      HIS 131 -50.189  10.806  14.847
  991    HE1  HIS 131           HE1      HIS 131 -53.623   8.452  15.664
  992    HE2  HIS 131           HE2      HIS 131 -52.585  10.742  15.818
  993    H    HIS 132           HN       HIS 132 -47.676   5.596  14.779
  994    HA   HIS 132           HA       HIS 132 -49.306   4.899  16.980
  995   1HB   HIS 132          HB2       HIS 132 -46.910   3.430  15.856
  996   2HB   HIS 132          HB1       HIS 132 -48.138   2.744  16.916
  997    HD1  HIS 132           HD1      HIS 132 -50.405   2.135  15.868
  998    HD2  HIS 132           HD2      HIS 132 -47.692   3.770  13.179
  999    HE1  HIS 132           HE1      HIS 132 -51.384   1.720  13.589
 1000    HE2  HIS 132           HE2      HIS 132 -49.683   2.641  11.975
  Start of MODEL   10
    1   1H    MET   0           HT1      MET   0  34.870  -3.758  -1.393
    2   2H    MET   0           HT2      MET   0  35.579  -2.556  -0.438
    3   3H    MET   0           HT3      MET   0  36.418  -3.186  -1.764
    4    HA   MET   0           HA       MET   0  35.524  -1.002  -2.253
    5   1HB   MET   0          HB2       MET   0  34.209  -3.286  -3.738
    6   2HB   MET   0          HB1       MET   0  34.294  -1.630  -4.324
    7   1HG   MET   0          HG2       MET   0  36.725  -1.758  -4.364
    8   2HG   MET   0          HG1       MET   0  36.653  -3.410  -3.753
    9   1HE   MET   0          HE1       MET   0  34.998  -2.162  -7.878
   10   2HE   MET   0          HE2       MET   0  35.780  -1.034  -6.772
   11   3HE   MET   0          HE3       MET   0  34.222  -1.745  -6.350
   12    H    ASN   1           HN       ASN   1  33.468   0.079  -3.050
   13    HA   ASN   1           HA       ASN   1  31.442  -0.242  -0.973
   14   1HB   ASN   1          HB2       ASN   1  32.273   1.975  -2.785
   15   2HB   ASN   1          HB1       ASN   1  30.609   1.955  -2.209
   16   1HD2  ASN   1          HD21      ASN   1  30.205   2.113  -0.001
   17   2HD2  ASN   1          HD22      ASN   1  31.366   2.775   1.091
   18    H    CYS   2           HN       CYS   2  29.159   0.605  -1.950
   19    HA   CYS   2           HA       CYS   2  28.479  -1.434  -3.929
   20   1HB   CYS   2          HB2       CYS   2  26.136  -0.174  -3.043
   21   2HB   CYS   2          HB1       CYS   2  26.743  -1.758  -2.567
   22    H    GLY   3           HN       GLY   3  28.932   1.934  -3.743
   23   1HA   GLY   3          HA2       GLY   3  28.781   3.494  -5.457
   24   2HA   GLY   3          HA1       GLY   3  27.988   2.278  -6.451
   25    HA   PRO   4           HA       PRO   4  25.050   5.769  -4.816
   26   1HB   PRO   4          HB2       PRO   4  24.410   5.507  -7.727
   27   2HB   PRO   4          HB1       PRO   4  24.381   6.943  -6.697
   28   1HG   PRO   4          HG2       PRO   4  26.406   6.534  -8.371
   29   2HG   PRO   4          HG1       PRO   4  26.694   7.184  -6.747
   30   1HD   PRO   4          HD2       PRO   4  27.220   4.456  -7.816
   31   2HD   PRO   4          HD1       PRO   4  28.101   5.375  -6.580
   32    HA   PRO   5           HA       PRO   5  22.175   2.399  -4.223
   33   1HB   PRO   5          HB2       PRO   5  20.148   3.976  -3.205
   34   2HB   PRO   5          HB1       PRO   5  21.481   3.308  -2.258
   35   1HG   PRO   5          HG2       PRO   5  21.164   6.040  -3.426
   36   2HG   PRO   5          HG1       PRO   5  21.820   5.563  -1.849
   37   1HD   PRO   5          HD2       PRO   5  23.425   6.259  -3.875
   38   2HD   PRO   5          HD1       PRO   5  23.873   4.963  -2.749
   39    HA   PRO   6           HA       PRO   6  20.042   2.852  -8.164
   40   1HB   PRO   6          HB2       PRO   6  18.705   0.441  -7.858
   41   2HB   PRO   6          HB1       PRO   6  20.299   0.630  -8.595
   42   1HG   PRO   6          HG2       PRO   6  19.566  -0.205  -5.825
   43   2HG   PRO   6          HG1       PRO   6  20.868  -0.800  -6.871
   44   1HD   PRO   6          HD2       PRO   6  21.353   0.889  -4.849
   45   2HD   PRO   6          HD1       PRO   6  22.251   0.990  -6.377
   46    H    THR   7           HN       THR   7  17.700   2.042  -8.720
   47    HA   THR   7           HA       THR   7  15.931   3.534  -6.914
   48    HB   THR   7           HB       THR   7  15.503   2.735  -9.802
   49    HG1  THR   7           HG1      THR   7  16.347   5.123  -8.534
   50   1HG2  THR   7          HG21      THR   7  13.400   2.888  -8.540
   51   2HG2  THR   7          HG22      THR   7  13.545   4.192  -9.719
   52   3HG2  THR   7          HG23      THR   7  13.841   4.510  -8.009
   53    H    LEU   8           HN       LEU   8  14.343   2.536  -5.829
   54    HA   LEU   8           HA       LEU   8  13.810  -0.277  -6.465
   55   1HB   LEU   8          HB2       LEU   8  13.426   1.179  -3.848
   56   2HB   LEU   8          HB1       LEU   8  13.172  -0.534  -4.126
   57    HG   LEU   8           HG       LEU   8  15.660  -0.580  -4.801
   58   1HD1  LEU   8          HD11      LEU   8  15.968   1.832  -4.953
   59   2HD1  LEU   8          HD12      LEU   8  17.050   1.119  -3.756
   60   3HD1  LEU   8          HD13      LEU   8  15.606   1.989  -3.234
   61   1HD2  LEU   8          HD21      LEU   8  16.337  -0.920  -2.493
   62   2HD2  LEU   8          HD22      LEU   8  14.732  -1.600  -2.766
   63   3HD2  LEU   8          HD23      LEU   8  14.906  -0.057  -1.928
   64    H    SER   9           HN       SER   9  11.998  -0.513  -7.555
   65    HA   SER   9           HA       SER   9   9.980   1.373  -7.848
   66   1HB   SER   9          HB2       SER   9   9.787  -1.638  -8.121
   67   2HB   SER   9          HB1       SER   9   8.610  -0.483  -8.748
   68    HG   SER   9           HG       SER   9  11.343  -0.364  -9.456
   69    H    PHE  10           HN       PHE  10  10.234  -1.328  -5.568
   70    HA   PHE  10           HA       PHE  10   7.649  -1.075  -4.478
   71   1HB   PHE  10          HB2       PHE  10   9.995  -2.072  -2.895
   72   2HB   PHE  10          HB1       PHE  10   8.316  -2.580  -2.807
   73    HD1  PHE  10           HD1      PHE  10   7.359  -4.006  -4.579
   74    HD2  PHE  10           HD2      PHE  10  11.505  -3.063  -4.426
   75    HE1  PHE  10           HE1      PHE  10   7.840  -5.895  -6.081
   76    HE2  PHE  10           HE2      PHE  10  11.995  -4.948  -5.929
   77    HZ   PHE  10           HZ       PHE  10  10.160  -6.369  -6.753
   78    H    ALA  11           HN       ALA  11  10.233   1.053  -4.256
   79    HA   ALA  11           HA       ALA  11   8.941   2.417  -2.027
   80   1HB   ALA  11          HB1       ALA  11  11.887   1.790  -2.003
   81   2HB   ALA  11          HB2       ALA  11  10.665   0.992  -1.015
   82   3HB   ALA  11          HB3       ALA  11  10.997   2.708  -0.789
   83    H    ALA  12           HN       ALA  12  10.966   4.237  -1.568
   84    HA   ALA  12           HA       ALA  12  11.717   5.625  -3.895
   85   1HB   ALA  12          HB1       ALA  12   9.271   6.663  -2.465
   86   2HB   ALA  12          HB2       ALA  12   9.414   6.208  -4.163
   87   3HB   ALA  12          HB3       ALA  12  10.254   7.635  -3.559
   88    HA   PRO  13           HA       PRO  13  14.695   7.168  -1.006
   89   1HB   PRO  13          HB2       PRO  13  14.360   9.719  -2.530
   90   2HB   PRO  13          HB1       PRO  13  15.841   8.868  -2.075
   91   1HG   PRO  13          HG2       PRO  13  14.920   8.725  -4.564
   92   2HG   PRO  13          HG1       PRO  13  15.616   7.299  -3.776
   93   1HD   PRO  13          HD2       PRO  13  12.764   7.953  -4.339
   94   2HD   PRO  13          HD1       PRO  13  13.576   6.376  -4.311
   95    H    MET  14           HN       MET  14  14.597   8.123   0.972
   96    HA   MET  14           HA       MET  14  12.360   9.980   1.435
   97   1HB   MET  14          HB2       MET  14  12.034   7.742   2.467
   98   2HB   MET  14          HB1       MET  14  13.485   8.009   3.423
   99   1HG   MET  14          HG2       MET  14  12.443   9.925   4.499
  100   2HG   MET  14          HG1       MET  14  10.995   9.696   3.521
  101   1HE   MET  14          HE1       MET  14   9.441   9.645   5.646
  102   2HE   MET  14          HE2       MET  14  10.852   9.935   6.664
  103   3HE   MET  14          HE3       MET  14   9.737   8.624   7.054
  104    H    ASP  15           HN       ASP  15  15.722   9.400   1.825
  105    HA   ASP  15           HA       ASP  15  16.135  12.098   2.715
  106   1HB   ASP  15          HB2       ASP  15  15.657  10.894   4.841
  107   2HB   ASP  15          HB1       ASP  15  17.047   9.860   4.528
  108    H    ILE  16           HN       ILE  16  18.559   9.942   3.737
  109    HA   ILE  16           HA       ILE  16  20.738   9.789   3.124
  110    HB   ILE  16           HB       ILE  16  20.139   7.865   1.970
  111   1HG1  ILE  16          HG12      ILE  16  21.466   9.671  -0.051
  112   2HG1  ILE  16          HG11      ILE  16  22.277   8.726   1.192
  113   1HG2  ILE  16          HG21      ILE  16  18.830   9.601  -0.106
  114   2HG2  ILE  16          HG22      ILE  16  18.034   8.522   1.041
  115   3HG2  ILE  16          HG23      ILE  16  19.035   7.855  -0.248
  116   1HD1  ILE  16          HD11      ILE  16  22.448   7.723  -1.036
  117   2HD1  ILE  16          HD12      ILE  16  20.692   7.575  -1.089
  118   3HD1  ILE  16          HD13      ILE  16  21.616   6.675   0.111
  119    H    THR  17           HN       THR  17  21.547  11.835   3.182
  120    HA   THR  17           HA       THR  17  21.233  13.820   1.265
  121    HB   THR  17           HB       THR  17  23.526  14.624   1.944
  122    HG1  THR  17           HG1      THR  17  23.471  12.130   3.220
  123   1HG2  THR  17          HG21      THR  17  21.483  15.327   3.134
  124   2HG2  THR  17          HG22      THR  17  22.874  15.224   4.214
  125   3HG2  THR  17          HG23      THR  17  21.656  13.948   4.220
  126    H    LEU  18           HN       LEU  18  21.596  13.697  -0.850
  127    HA   LEU  18           HA       LEU  18  23.251  11.651  -1.943
  128   1HB   LEU  18          HB2       LEU  18  21.409  13.717  -2.980
  129   2HB   LEU  18          HB1       LEU  18  22.659  13.172  -4.076
  130    HG   LEU  18           HG       LEU  18  20.669  11.890  -4.487
  131   1HD1  LEU  18          HD11      LEU  18  22.562  10.162  -2.905
  132   2HD1  LEU  18          HD12      LEU  18  22.859  10.715  -4.553
  133   3HD1  LEU  18          HD13      LEU  18  21.491   9.655  -4.212
  134   1HD2  LEU  18          HD21      LEU  18  19.599  12.262  -2.310
  135   2HD2  LEU  18          HD22      LEU  18  20.736  11.135  -1.571
  136   3HD2  LEU  18          HD23      LEU  18  19.582  10.561  -2.775
  137    H    THR  19           HN       THR  19  24.642  13.521  -0.299
  138    HA   THR  19           HA       THR  19  26.162  15.252  -2.047
  139    HB   THR  19           HB       THR  19  27.316  15.991  -0.078
  140    HG1  THR  19           HG1      THR  19  26.321  13.585   0.993
  141   1HG2  THR  19          HG21      THR  19  25.361  16.511   1.452
  142   2HG2  THR  19          HG22      THR  19  24.371  15.525   0.372
  143   3HG2  THR  19          HG23      THR  19  25.164  16.979  -0.238
  144    H    GLU  20           HN       GLU  20  26.433  12.112  -0.596
  145    HA   GLU  20           HA       GLU  20  29.235  11.868  -1.388
  146   1HB   GLU  20          HB2       GLU  20  29.188   9.755  -0.136
  147   2HB   GLU  20          HB1       GLU  20  28.657  11.110   0.852
  148   1HG   GLU  20          HG2       GLU  20  26.299  10.438   0.320
  149   2HG   GLU  20          HG1       GLU  20  26.963   8.969  -0.393
  150    H    THR  21           HN       THR  21  29.441   9.200  -1.960
  151    HA   THR  21           HA       THR  21  27.564   8.657  -4.141
  152    HB   THR  21           HB       THR  21  30.041   7.969  -5.215
  153    HG1  THR  21           HG1      THR  21  30.895  10.293  -5.168
  154   1HG2  THR  21          HG21      THR  21  29.517   9.673  -6.886
  155   2HG2  THR  21          HG22      THR  21  28.335  10.394  -5.794
  156   3HG2  THR  21          HG23      THR  21  28.065   8.776  -6.440
  157    H    ARG  22           HN       ARG  22  29.753   7.575  -1.741
  158    HA   ARG  22           HA       ARG  22  29.227   4.778  -2.499
  159   1HB   ARG  22          HB2       ARG  22  31.691   5.721  -1.048
  160   2HB   ARG  22          HB1       ARG  22  31.372   4.123  -1.705
  161   1HG   ARG  22          HG2       ARG  22  31.522   4.949  -3.951
  162   2HG   ARG  22          HG1       ARG  22  31.654   6.610  -3.373
  163   1HD   ARG  22          HD2       ARG  22  33.836   5.749  -4.016
  164   2HD   ARG  22          HD1       ARG  22  33.774   6.062  -2.281
  165    HE   ARG  22           HE       ARG  22  33.105   3.406  -2.603
  166   1HH1  ARG  22          HH11      ARG  22  35.840   5.445  -3.318
  167   2HH1  ARG  22          HH12      ARG  22  36.998   4.169  -3.147
  168   1HH2  ARG  22          HH21      ARG  22  34.623   1.720  -2.379
  169   2HH2  ARG  22          HH22      ARG  22  36.307   2.052  -2.616
  170    H    PHE  23           HN       PHE  23  29.055   3.279  -0.664
  171    HA   PHE  23           HA       PHE  23  28.725   4.474   1.975
  172   1HB   PHE  23          HB2       PHE  23  26.492   2.804   0.816
  173   2HB   PHE  23          HB1       PHE  23  26.477   3.764   2.290
  174    HD1  PHE  23           HD1      PHE  23  25.462   5.839   2.264
  175    HD2  PHE  23           HD2      PHE  23  26.834   4.155  -1.395
  176    HE1  PHE  23           HE1      PHE  23  24.456   7.714   1.023
  177    HE2  PHE  23           HE2      PHE  23  25.844   6.024  -2.635
  178    HZ   PHE  23           HZ       PHE  23  24.646   7.808  -1.430
  179    H    LYS  24           HN       LYS  24  30.040   3.198   3.153
  180    HA   LYS  24           HA       LYS  24  31.006   0.702   2.516
  181   1HB   LYS  24          HB2       LYS  24  31.397   0.432   5.012
  182   2HB   LYS  24          HB1       LYS  24  32.109   1.838   4.237
  183   1HG   LYS  24          HG2       LYS  24  30.278   3.228   5.074
  184   2HG   LYS  24          HG1       LYS  24  29.559   1.810   5.841
  185   1HD   LYS  24          HD2       LYS  24  31.549   1.551   7.237
  186   2HD   LYS  24          HD1       LYS  24  32.279   2.960   6.464
  187   1HE   LYS  24          HE2       LYS  24  30.392   4.335   7.282
  188   2HE   LYS  24          HE1       LYS  24  29.765   2.922   8.130
  189   1HZ   LYS  24          HZ1       LYS  24  32.437   4.122   8.610
  190   2HZ   LYS  24          HZ2       LYS  24  31.733   2.852   9.478
  191   3HZ   LYS  24          HZ3       LYS  24  31.071   4.406   9.565
  192    H    THR  25           HN       THR  25  30.729  -1.314   3.899
  193    HA   THR  25           HA       THR  25  28.124  -2.320   3.457
  194    HB   THR  25           HB       THR  25  29.070  -4.274   4.899
  195    HG1  THR  25           HG1      THR  25  31.546  -4.027   4.358
  196   1HG2  THR  25          HG21      THR  25  30.069  -5.254   2.940
  197   2HG2  THR  25          HG22      THR  25  30.386  -3.658   2.255
  198   3HG2  THR  25          HG23      THR  25  28.728  -4.235   2.410
  199    H    GLY  26           HN       GLY  26  29.260  -0.395   5.908
  200   1HA   GLY  26          HA2       GLY  26  27.423  -1.524   7.918
  201   2HA   GLY  26          HA1       GLY  26  28.706  -0.365   8.245
  202    H    THR  27           HN       THR  27  26.843   0.117   5.457
  203    HA   THR  27           HA       THR  27  25.588   2.486   6.667
  204    HB   THR  27           HB       THR  27  27.012   2.593   4.501
  205    HG1  THR  27           HG1      THR  27  24.530   3.795   5.040
  206   1HG2  THR  27          HG21      THR  27  25.519   0.658   3.551
  207   2HG2  THR  27          HG22      THR  27  26.076   1.952   2.490
  208   3HG2  THR  27          HG23      THR  27  24.427   1.982   3.130
  209    H    THR  28           HN       THR  28  23.367   3.032   6.006
  210    HA   THR  28           HA       THR  28  21.702   0.968   4.912
  211    HB   THR  28           HB       THR  28  21.334   1.696   7.827
  212    HG1  THR  28           HG1      THR  28  21.699  -0.946   7.048
  213   1HG2  THR  28          HG21      THR  28  19.776  -0.186   6.053
  214   2HG2  THR  28          HG22      THR  28  19.206   1.358   6.685
  215   3HG2  THR  28          HG23      THR  28  19.537   0.021   7.788
  216    H    LEU  29           HN       LEU  29  20.129   1.918   3.814
  217    HA   LEU  29           HA       LEU  29  19.710   4.758   4.127
  218   1HB   LEU  29          HB2       LEU  29  18.622   2.757   2.158
  219   2HB   LEU  29          HB1       LEU  29  18.186   4.453   2.145
  220    HG   LEU  29           HG       LEU  29  19.856   4.141   0.484
  221   1HD1  LEU  29          HD11      LEU  29  21.637   5.599   1.235
  222   2HD1  LEU  29          HD12      LEU  29  21.192   5.310   2.918
  223   3HD1  LEU  29          HD13      LEU  29  20.083   6.166   1.847
  224   1HD2  LEU  29          HD21      LEU  29  21.963   3.085   0.840
  225   2HD2  LEU  29          HD22      LEU  29  20.701   1.987   1.401
  226   3HD2  LEU  29          HD23      LEU  29  21.645   2.914   2.567
  227    H    LYS  30           HN       LYS  30  17.145   5.164   3.377
  228    HA   LYS  30           HA       LYS  30  15.561   4.047   5.592
  229   1HB   LYS  30          HB2       LYS  30  16.176   6.565   5.576
  230   2HB   LYS  30          HB1       LYS  30  14.989   6.691   4.282
  231   1HG   LYS  30          HG2       LYS  30  13.956   7.277   6.363
  232   2HG   LYS  30          HG1       LYS  30  13.286   5.745   5.797
  233   1HD   LYS  30          HD2       LYS  30  14.622   4.511   7.357
  234   2HD   LYS  30          HD1       LYS  30  15.513   5.964   7.818
  235   1HE   LYS  30          HE2       LYS  30  13.852   5.398   9.505
  236   2HE   LYS  30          HE1       LYS  30  13.459   6.932   8.728
  237   1HZ   LYS  30          HZ1       LYS  30  11.837   5.798   7.359
  238   2HZ   LYS  30          HZ2       LYS  30  11.506   5.525   8.996
  239   3HZ   LYS  30          HZ3       LYS  30  12.228   4.311   8.067
  240    H    TYR  31           HN       TYR  31  14.699   5.958   2.750
  241    HA   TYR  31           HA       TYR  31  13.270   5.629   1.035
  242   1HB   TYR  31          HB2       TYR  31  14.074   2.797   1.610
  243   2HB   TYR  31          HB1       TYR  31  12.865   3.157   0.378
  244    HD1  TYR  31           HD1      TYR  31  13.504   3.967  -1.751
  245    HD2  TYR  31           HD2      TYR  31  16.380   3.761   1.377
  246    HE1  TYR  31           HE1      TYR  31  15.292   4.443  -3.371
  247    HE2  TYR  31           HE2      TYR  31  18.175   4.236  -0.234
  248    HH   TYR  31           HH       TYR  31  18.575   4.028  -2.662
  249    H    THR  32           HN       THR  32  11.166   5.787   0.830
  250    HA   THR  32           HA       THR  32   9.455   4.736   2.975
  251    HB   THR  32           HB       THR  32   9.108   7.013   3.033
  252    HG1  THR  32           HG1      THR  32   7.120   7.426   1.886
  253   1HG2  THR  32          HG21      THR  32  10.565   7.664   1.246
  254   2HG2  THR  32          HG22      THR  32   9.004   8.443   0.984
  255   3HG2  THR  32          HG23      THR  32   9.452   7.023   0.036
  256    H    CYS  33           HN       CYS  33   7.058   4.471   2.100
  257    HA   CYS  33           HA       CYS  33   7.204   3.045  -0.473
  258   1HB   CYS  33          HB2       CYS  33   5.929   2.151   2.101
  259   2HB   CYS  33          HB1       CYS  33   5.486   1.458   0.546
  260    H    LEU  34           HN       LEU  34   5.973   3.775  -1.879
  261    HA   LEU  34           HA       LEU  34   4.223   5.855  -1.819
  262   1HB   LEU  34          HB2       LEU  34   3.860   3.468  -3.624
  263   2HB   LEU  34          HB1       LEU  34   3.371   5.120  -3.944
  264    HG   LEU  34           HG       LEU  34   6.247   4.197  -3.673
  265   1HD1  LEU  34          HD11      LEU  34   6.372   4.483  -6.085
  266   2HD1  LEU  34          HD12      LEU  34   4.659   4.898  -6.144
  267   3HD1  LEU  34          HD13      LEU  34   5.157   3.274  -5.667
  268   1HD2  LEU  34          HD21      LEU  34   5.948   6.522  -3.040
  269   2HD2  LEU  34          HD22      LEU  34   5.053   6.836  -4.527
  270   3HD2  LEU  34          HD23      LEU  34   6.763   6.414  -4.600
  271    HA   PRO  35           HA       PRO  35   0.487   4.917   0.288
  272   1HB   PRO  35          HB2       PRO  35  -1.370   5.773  -1.611
  273   2HB   PRO  35          HB1       PRO  35  -0.600   6.784  -0.386
  274   1HG   PRO  35          HG2       PRO  35   0.104   6.419  -3.262
  275   2HG   PRO  35          HG1       PRO  35   0.157   7.888  -2.270
  276   1HD   PRO  35          HD2       PRO  35   2.392   6.559  -2.887
  277   2HD   PRO  35          HD1       PRO  35   2.179   7.297  -1.286
  278    H    GLY  36           HN       GLY  36   0.013   2.830   0.532
  279   1HA   GLY  36          HA2       GLY  36  -1.730   1.198  -0.134
  280   2HA   GLY  36          HA1       GLY  36  -1.142   1.389  -1.779
  281    H    TYR  37           HN       TYR  37   1.651   1.520  -0.793
  282    HA   TYR  37           HA       TYR  37   2.356  -1.188  -1.185
  283   1HB   TYR  37          HB2       TYR  37   3.771   1.294  -0.337
  284   2HB   TYR  37          HB1       TYR  37   4.535  -0.232   0.086
  285    HD1  TYR  37           HD1      TYR  37   4.838  -1.930  -1.882
  286    HD2  TYR  37           HD2      TYR  37   4.212   2.246  -2.389
  287    HE1  TYR  37           HE1      TYR  37   5.813  -2.065  -4.130
  288    HE2  TYR  37           HE2      TYR  37   5.192   2.124  -4.641
  289    HH   TYR  37           HH       TYR  37   5.717  -0.801  -6.252
  290    H    VAL  38           HN       VAL  38   1.181  -2.500   0.375
  291    HA   VAL  38           HA       VAL  38   1.396  -1.965   3.168
  292    HB   VAL  38           HB       VAL  38   0.197  -4.070   3.469
  293   1HG1  VAL  38          HG11      VAL  38  -1.008  -1.993   2.810
  294   2HG1  VAL  38          HG12      VAL  38  -1.842  -3.481   2.361
  295   3HG1  VAL  38          HG13      VAL  38  -0.969  -2.559   1.137
  296   1HG2  VAL  38          HG21      VAL  38   1.194  -5.492   1.837
  297   2HG2  VAL  38          HG22      VAL  38   0.687  -4.436   0.519
  298   3HG2  VAL  38          HG23      VAL  38  -0.517  -5.353   1.427
  299    H    ARG  39           HN       ARG  39   1.794  -4.561   4.205
  300    HA   ARG  39           HA       ARG  39   4.606  -4.998   3.475
  301   1HB   ARG  39          HB2       ARG  39   5.166  -5.336   5.817
  302   2HB   ARG  39          HB1       ARG  39   4.459  -3.744   5.572
  303   1HG   ARG  39          HG2       ARG  39   2.372  -4.455   6.498
  304   2HG   ARG  39          HG1       ARG  39   2.925  -6.128   6.578
  305   1HD   ARG  39          HD2       ARG  39   3.033  -5.091   8.771
  306   2HD   ARG  39          HD1       ARG  39   4.651  -5.476   8.188
  307    HE   ARG  39           HE       ARG  39   4.019  -2.826   7.492
  308   1HH1  ARG  39          HH11      ARG  39   4.756  -4.776  10.286
  309   2HH1  ARG  39          HH12      ARG  39   5.436  -3.462  11.184
  310   1HH2  ARG  39          HH21      ARG  39   4.913  -1.090   8.669
  311   2HH2  ARG  39          HH22      ARG  39   5.525  -1.366  10.267
  312    H    SER  40           HN       SER  40   5.306  -6.968   3.200
  313    HA   SER  40           HA       SER  40   3.602  -9.230   4.003
  314   1HB   SER  40          HB2       SER  40   3.513  -8.873   1.550
  315   2HB   SER  40          HB1       SER  40   5.270  -9.011   1.479
  316    HG   SER  40           HG       SER  40   4.461 -11.007   1.000
  317    H    HIS  41           HN       HIS  41   6.597  -7.682   4.078
  318    HA   HIS  41           HA       HIS  41   7.871 -10.062   5.250
  319   1HB   HIS  41          HB2       HIS  41   9.106  -7.903   3.537
  320   2HB   HIS  41          HB1       HIS  41  10.061  -9.017   4.510
  321    HD1  HIS  41           HD1      HIS  41   7.774  -8.951   1.519
  322    HD2  HIS  41           HD2      HIS  41  10.382 -11.546   3.451
  323    HE1  HIS  41           HE1      HIS  41   8.037 -10.916  -0.029
  324    HE2  HIS  41           HE2      HIS  41   9.639 -12.463   1.149
  325    H    SER  42           HN       SER  42   9.431  -6.932   5.219
  326    HA   SER  42           HA       SER  42   8.452  -5.775   7.528
  327   1HB   SER  42          HB2       SER  42   9.087  -7.844   8.682
  328   2HB   SER  42          HB1       SER  42  10.751  -7.636   8.134
  329    HG   SER  42           HG       SER  42  10.869  -6.666  10.026
  330    H    THR  43           HN       THR  43  11.845  -6.472   7.493
  331    HA   THR  43           HA       THR  43  12.850  -3.983   7.745
  332    HB   THR  43           HB       THR  43  14.156  -6.042   5.978
  333    HG1  THR  43           HG1      THR  43  13.427  -6.871   8.064
  334   1HG2  THR  43          HG21      THR  43  15.316  -3.930   5.965
  335   2HG2  THR  43          HG22      THR  43  16.235  -5.072   6.947
  336   3HG2  THR  43          HG23      THR  43  15.247  -3.835   7.725
  337    H    GLN  44           HN       GLN  44  12.814  -2.176   6.646
  338    HA   GLN  44           HA       GLN  44  12.642  -2.268   3.706
  339   1HB   GLN  44          HB2       GLN  44  11.420  -0.064   3.899
  340   2HB   GLN  44          HB1       GLN  44  10.527  -1.471   4.460
  341   1HG   GLN  44          HG2       GLN  44  10.972  -0.910   6.751
  342   2HG   GLN  44          HG1       GLN  44  12.029   0.413   6.260
  343   1HE2  GLN  44          HE21      GLN  44  10.290   1.224   4.074
  344   2HE2  GLN  44          HE22      GLN  44   8.942   2.023   4.801
  345    H    THR  45           HN       THR  45  15.069  -2.300   4.158
  346    HA   THR  45           HA       THR  45  16.057   0.429   3.988
  347    HB   THR  45           HB       THR  45  17.768   0.172   5.662
  348    HG1  THR  45           HG1      THR  45  17.946  -2.173   5.375
  349   1HG2  THR  45          HG21      THR  45  15.114  -0.701   6.808
  350   2HG2  THR  45          HG22      THR  45  15.577   0.964   6.447
  351   3HG2  THR  45          HG23      THR  45  16.431   0.062   7.699
  352    H    LEU  46           HN       LEU  46  18.243   0.555   3.211
  353    HA   LEU  46           HA       LEU  46  19.013  -1.823   1.648
  354   1HB   LEU  46          HB2       LEU  46  19.210   1.109   1.011
  355   2HB   LEU  46          HB1       LEU  46  20.216  -0.072   0.192
  356    HG   LEU  46           HG       LEU  46  17.196  -0.135   0.203
  357   1HD1  LEU  46          HD11      LEU  46  19.036   0.731  -2.022
  358   2HD1  LEU  46          HD12      LEU  46  18.168   1.847  -0.964
  359   3HD1  LEU  46          HD13      LEU  46  17.271   0.753  -2.014
  360   1HD2  LEU  46          HD21      LEU  46  17.417  -1.798  -1.503
  361   2HD2  LEU  46          HD22      LEU  46  18.373  -2.301  -0.109
  362   3HD2  LEU  46          HD23      LEU  46  19.170  -1.612  -1.524
  363    H    THR  47           HN       THR  47  20.657  -2.797   2.646
  364    HA   THR  47           HA       THR  47  22.755  -1.113   3.858
  365    HB   THR  47           HB       THR  47  22.248  -4.042   4.418
  366    HG1  THR  47           HG1      THR  47  21.116  -1.721   5.501
  367   1HG2  THR  47          HG21      THR  47  23.648  -3.632   6.388
  368   2HG2  THR  47          HG22      THR  47  23.867  -1.955   5.885
  369   3HG2  THR  47          HG23      THR  47  24.518  -3.263   4.897
  370    H    CYS  48           HN       CYS  48  24.934  -1.527   3.330
  371    HA   CYS  48           HA       CYS  48  25.258  -2.733   0.749
  372   1HB   CYS  48          HB2       CYS  48  26.524  -0.674   1.784
  373   2HB   CYS  48          HB1       CYS  48  27.578  -1.906   2.460
  374    H    ASN  49           HN       ASN  49  25.432  -4.808   0.488
  375    HA   ASN  49           HA       ASN  49  26.351  -6.506   2.666
  376   1HB   ASN  49          HB2       ASN  49  25.625  -8.353   1.104
  377   2HB   ASN  49          HB1       ASN  49  24.342  -7.241   1.578
  378   1HD2  ASN  49          HD21      ASN  49  23.471  -5.853   0.070
  379   2HD2  ASN  49          HD22      ASN  49  23.763  -6.018  -1.626
  380    H    SER  50           HN       SER  50  27.473  -8.626   1.364
  381    HA   SER  50           HA       SER  50  29.927  -7.425   0.279
  382   1HB   SER  50          HB2       SER  50  30.265  -8.710   2.325
  383   2HB   SER  50          HB1       SER  50  29.494 -10.122   1.597
  384    HG   SER  50           HG       SER  50  31.836 -10.124   1.545
  385    H    ASP  51           HN       ASP  51  28.144  -7.451  -1.590
  386    HA   ASP  51           HA       ASP  51  28.746  -9.758  -3.353
  387   1HB   ASP  51          HB2       ASP  51  26.124  -8.302  -3.027
  388   2HB   ASP  51          HB1       ASP  51  26.489  -9.376  -4.373
  389    H    GLY  52           HN       GLY  52  27.888  -6.332  -3.071
  390   1HA   GLY  52          HA2       GLY  52  29.571  -4.947  -4.431
  391   2HA   GLY  52          HA1       GLY  52  28.958  -5.898  -5.777
  392    H    GLU  53           HN       GLU  53  26.494  -5.575  -3.699
  393    HA   GLU  53           HA       GLU  53  25.629  -2.904  -4.491
  394   1HB   GLU  53          HB2       GLU  53  23.486  -3.790  -5.412
  395   2HB   GLU  53          HB1       GLU  53  24.904  -4.163  -6.381
  396   1HG   GLU  53          HG2       GLU  53  23.996  -6.155  -4.373
  397   2HG   GLU  53          HG1       GLU  53  23.074  -5.974  -5.864
  398    H    TRP  54           HN       TRP  54  22.912  -3.248  -3.965
  399    HA   TRP  54           HA       TRP  54  22.958  -3.420  -1.061
  400   1HB   TRP  54          HB2       TRP  54  20.853  -2.257  -2.886
  401   2HB   TRP  54          HB1       TRP  54  21.021  -2.007  -1.154
  402    HD1  TRP  54           HD1      TRP  54  22.544  -0.922  -4.487
  403    HE1  TRP  54           HE1      TRP  54  24.026   1.145  -4.077
  404    HE3  TRP  54           HE3      TRP  54  22.414  -0.859   0.596
  405    HZ2  TRP  54           HZ2      TRP  54  25.017   2.610  -1.863
  406    HZ3  TRP  54           HZ3      TRP  54  23.648   0.898   1.799
  407    HH2  TRP  54           HH2      TRP  54  24.920   2.595   0.592
  408    H    VAL  55           HN       VAL  55  22.116  -5.036  -0.060
  409    HA   VAL  55           HA       VAL  55  20.297  -6.936  -1.407
  410    HB   VAL  55           HB       VAL  55  22.442  -7.179   0.619
  411   1HG1  VAL  55          HG11      VAL  55  21.411  -9.152   1.683
  412   2HG1  VAL  55          HG12      VAL  55  19.896  -8.767   0.865
  413   3HG1  VAL  55          HG13      VAL  55  20.568  -7.647   2.050
  414   1HG2  VAL  55          HG21      VAL  55  22.657  -8.137  -1.611
  415   2HG2  VAL  55          HG22      VAL  55  21.215  -9.118  -1.342
  416   3HG2  VAL  55          HG23      VAL  55  22.668  -9.405  -0.384
  417    H    TYR  56           HN       TYR  56  18.382  -7.584  -0.360
  418    HA   TYR  56           HA       TYR  56  17.641  -6.744   2.168
  419   1HB   TYR  56          HB2       TYR  56  16.080  -4.869   1.647
  420   2HB   TYR  56          HB1       TYR  56  17.759  -4.472   1.288
  421    HD1  TYR  56           HD1      TYR  56  14.445  -4.559   0.010
  422    HD2  TYR  56           HD2      TYR  56  18.525  -4.817  -1.167
  423    HE1  TYR  56           HE1      TYR  56  13.812  -3.987  -2.296
  424    HE2  TYR  56           HE2      TYR  56  17.908  -4.240  -3.475
  425    HH   TYR  56           HH       TYR  56  14.829  -3.041  -4.306
  426    H    ASN  57           HN       ASN  57  15.131  -6.760   2.455
  427    HA   ASN  57           HA       ASN  57  14.081  -8.918   0.765
  428   1HB   ASN  57          HB2       ASN  57  13.126  -7.977   3.479
  429   2HB   ASN  57          HB1       ASN  57  12.539  -9.388   2.603
  430   1HD2  ASN  57          HD21      ASN  57  13.808  -9.140   5.241
  431   2HD2  ASN  57          HD22      ASN  57  15.176 -10.193   5.200
  432    H    THR  58           HN       THR  58  11.590  -8.861   0.588
  433    HA   THR  58           HA       THR  58  10.890  -6.381  -0.700
  434    HB   THR  58           HB       THR  58   9.038  -8.706  -0.192
  435    HG1  THR  58           HG1      THR  58   9.965  -8.914  -2.618
  436   1HG2  THR  58          HG21      THR  58   7.929  -7.920  -2.212
  437   2HG2  THR  58          HG22      THR  58   9.138  -6.651  -2.403
  438   3HG2  THR  58          HG23      THR  58   8.034  -6.616  -1.028
  439    H    PHE  59           HN       PHE  59  11.128  -5.164   1.364
  440    HA   PHE  59           HA       PHE  59   9.633  -5.400   3.631
  441   1HB   PHE  59          HB2       PHE  59   9.630  -2.786   3.562
  442   2HB   PHE  59          HB1       PHE  59  11.150  -3.657   3.703
  443    HD1  PHE  59           HD1      PHE  59   9.112  -1.499   1.622
  444    HD2  PHE  59           HD2      PHE  59  12.670  -3.827   1.784
  445    HE1  PHE  59           HE1      PHE  59   9.963  -0.330  -0.367
  446    HE2  PHE  59           HE2      PHE  59  13.528  -2.663  -0.206
  447    HZ   PHE  59           HZ       PHE  59  12.173  -0.911  -1.284
  448    H    CYS  60           HN       CYS  60   8.666  -3.506   0.769
  449    HA   CYS  60           HA       CYS  60   5.881  -3.678   1.691
  450   1HB   CYS  60          HB2       CYS  60   7.184  -1.696  -0.188
  451   2HB   CYS  60          HB1       CYS  60   5.474  -1.711   0.234
  452    H    ILE  61           HN       ILE  61   4.324  -4.524   0.386
  453    HA   ILE  61           HA       ILE  61   5.290  -5.824  -2.063
  454    HB   ILE  61           HB       ILE  61   4.593  -7.555  -0.727
  455   1HG1  ILE  61          HG12      ILE  61   1.847  -7.165  -1.749
  456   2HG1  ILE  61          HG11      ILE  61   3.129  -7.090  -2.953
  457   1HG2  ILE  61          HG21      ILE  61   3.765  -6.282   1.127
  458   2HG2  ILE  61          HG22      ILE  61   2.566  -7.499   0.691
  459   3HG2  ILE  61          HG23      ILE  61   2.330  -5.817   0.216
  460   1HD1  ILE  61          HD11      ILE  61   2.258  -9.328  -2.811
  461   2HD1  ILE  61          HD12      ILE  61   2.557  -9.369  -1.073
  462   3HD1  ILE  61          HD13      ILE  61   3.913  -9.302  -2.200
  463    H    TYR  62           HN       TYR  62   2.732  -3.840  -0.746
  464    HA   TYR  62           HA       TYR  62   1.173  -2.491  -1.792
  465   1HB   TYR  62          HB2       TYR  62   3.253  -2.305  -3.466
  466   2HB   TYR  62          HB1       TYR  62   2.109  -3.129  -4.520
  467    HD1  TYR  62           HD1      TYR  62  -0.402  -1.785  -3.266
  468    HD2  TYR  62           HD2      TYR  62   3.297  -0.265  -4.696
  469    HE1  TYR  62           HE1      TYR  62  -1.476   0.380  -3.737
  470    HE2  TYR  62           HE2      TYR  62   2.249   1.901  -5.160
  471    HH   TYR  62           HH       TYR  62   0.176   2.903  -5.486
  472    H    LYS  63           HN       LYS  63  -0.794  -3.274  -1.696
  473    HA   LYS  63           HA       LYS  63  -1.934  -4.641  -3.901
  474   1HB   LYS  63          HB2       LYS  63  -2.615  -6.656  -2.444
  475   2HB   LYS  63          HB1       LYS  63  -0.994  -6.637  -3.122
  476   1HG   LYS  63          HG2       LYS  63  -0.260  -5.637  -0.896
  477   2HG   LYS  63          HG1       LYS  63  -1.847  -6.124  -0.296
  478   1HD   LYS  63          HD2       LYS  63  -1.357  -8.437  -1.010
  479   2HD   LYS  63          HD1       LYS  63   0.259  -7.925  -1.485
  480   1HE   LYS  63          HE2       LYS  63   0.697  -7.238   0.825
  481   2HE   LYS  63          HE1       LYS  63  -0.914  -7.788   1.286
  482   1HZ   LYS  63          HZ1       LYS  63   0.681  -9.469   1.833
  483   2HZ   LYS  63          HZ2       LYS  63   1.307  -9.470   0.262
  484   3HZ   LYS  63          HZ3       LYS  63  -0.262 -10.033   0.545
  485    H    ARG  64           HN       ARG  64  -3.229  -2.745  -3.650
  486    HA   ARG  64           HA       ARG  64  -4.796  -2.416  -1.251
  487   1HB   ARG  64          HB2       ARG  64  -5.844  -0.538  -2.449
  488   2HB   ARG  64          HB1       ARG  64  -4.092  -0.430  -2.463
  489   1HG   ARG  64          HG2       ARG  64  -5.385  -1.766  -4.766
  490   2HG   ARG  64          HG1       ARG  64  -5.581  -0.018  -4.624
  491   1HD   ARG  64          HD2       ARG  64  -3.156   0.242  -4.493
  492   2HD   ARG  64          HD1       ARG  64  -2.958  -1.503  -4.641
  493    HE   ARG  64           HE       ARG  64  -4.419  -0.236  -6.794
  494   1HH1  ARG  64          HH11      ARG  64  -1.326  -1.334  -5.622
  495   2HH1  ARG  64          HH12      ARG  64  -0.618  -1.428  -7.199
  496   1HH2  ARG  64          HH21      ARG  64  -3.494  -0.360  -8.874
  497   2HH2  ARG  64          HH22      ARG  64  -1.850  -0.876  -9.047
  498    H    CYS  65           HN       CYS  65  -7.225  -1.569  -2.475
  499    HA   CYS  65           HA       CYS  65  -8.293  -4.114  -3.479
  500   1HB   CYS  65          HB2       CYS  65  -9.644  -2.265  -1.495
  501   2HB   CYS  65          HB1       CYS  65 -10.309  -3.763  -2.139
  502    H    ARG  66           HN       ARG  66  -9.254  -3.881  -5.388
  503    HA   ARG  66           HA       ARG  66  -9.351  -1.540  -6.819
  504   1HB   ARG  66          HB2       ARG  66  -9.621  -3.800  -7.800
  505   2HB   ARG  66          HB1       ARG  66 -11.245  -3.879  -7.132
  506   1HG   ARG  66          HG2       ARG  66 -11.333  -3.315  -9.476
  507   2HG   ARG  66          HG1       ARG  66 -11.892  -1.951  -8.505
  508   1HD   ARG  66          HD2       ARG  66  -9.671  -0.915  -8.718
  509   2HD   ARG  66          HD1       ARG  66  -9.153  -2.262  -9.730
  510    HE   ARG  66           HE       ARG  66 -11.494  -0.811 -10.641
  511   1HH1  ARG  66          HH11      ARG  66  -8.041  -1.237 -10.841
  512   2HH1  ARG  66          HH12      ARG  66  -7.908  -0.475 -12.391
  513   1HH2  ARG  66          HH21      ARG  66 -11.329   0.190 -12.683
  514   2HH2  ARG  66          HH22      ARG  66  -9.777   0.336 -13.438
  515    H    HIS  67           HN       HIS  67 -10.892   0.025  -7.254
  516    HA   HIS  67           HA       HIS  67 -12.439   0.955  -5.164
  517   1HB   HIS  67          HB2       HIS  67 -13.034   1.460  -8.081
  518   2HB   HIS  67          HB1       HIS  67 -13.350   2.520  -6.718
  519    HD1  HIS  67           HD1      HIS  67 -10.303   0.984  -8.397
  520    HD2  HIS  67           HD2      HIS  67 -11.490   4.450  -6.436
  521    HE1  HIS  67           HE1      HIS  67  -8.326   2.533  -8.514
  522    HE2  HIS  67           HE2      HIS  67  -9.085   4.644  -7.368
  523    HA   PRO  68           HA       PRO  68 -16.007  -1.764  -5.219
  524   1HB   PRO  68          HB2       PRO  68 -17.715  -0.102  -3.875
  525   2HB   PRO  68          HB1       PRO  68 -16.518  -1.127  -3.085
  526   1HG   PRO  68          HG2       PRO  68 -16.425   1.791  -3.683
  527   2HG   PRO  68          HG1       PRO  68 -15.815   0.910  -2.271
  528   1HD   PRO  68          HD2       PRO  68 -14.190   1.785  -4.259
  529   2HD   PRO  68          HD1       PRO  68 -13.853   0.320  -3.314
  530    H    GLY  69           HN       GLY  69 -16.084   1.605  -6.190
  531   1HA   GLY  69          HA2       GLY  69 -16.901   2.168  -8.390
  532   2HA   GLY  69          HA1       GLY  69 -18.095   0.889  -8.219
  533    H    GLU  70           HN       GLU  70 -19.372   2.824  -8.978
  534    HA   GLU  70           HA       GLU  70 -20.001   4.812  -6.967
  535   1HB   GLU  70          HB2       GLU  70 -20.013   5.421  -9.373
  536   2HB   GLU  70          HB1       GLU  70 -21.312   4.265  -9.640
  537   1HG   GLU  70          HG2       GLU  70 -22.739   5.558  -8.100
  538   2HG   GLU  70          HG1       GLU  70 -21.443   6.743  -7.938
  539    H    LEU  71           HN       LEU  71 -21.618   4.883  -5.626
  540    HA   LEU  71           HA       LEU  71 -23.291   2.498  -5.371
  541   1HB   LEU  71          HB2       LEU  71 -21.977   3.818  -3.474
  542   2HB   LEU  71          HB1       LEU  71 -23.410   4.821  -3.487
  543    HG   LEU  71           HG       LEU  71 -23.238   1.889  -2.804
  544   1HD1  LEU  71          HD11      LEU  71 -24.009   2.586  -0.636
  545   2HD1  LEU  71          HD12      LEU  71 -24.175   4.252  -1.191
  546   3HD1  LEU  71          HD13      LEU  71 -22.576   3.517  -1.069
  547   1HD2  LEU  71          HD21      LEU  71 -25.681   3.609  -3.180
  548   2HD2  LEU  71          HD22      LEU  71 -25.680   2.051  -2.353
  549   3HD2  LEU  71          HD23      LEU  71 -25.259   2.143  -4.065
  550    H    ARG  72           HN       ARG  72 -24.970   2.686  -6.839
  551    HA   ARG  72           HA       ARG  72 -26.198   5.186  -7.408
  552   1HB   ARG  72          HB2       ARG  72 -26.405   3.390  -9.047
  553   2HB   ARG  72          HB1       ARG  72 -27.176   2.347  -7.859
  554   1HG   ARG  72          HG2       ARG  72 -29.130   3.763  -7.821
  555   2HG   ARG  72          HG1       ARG  72 -28.355   4.902  -8.928
  556   1HD   ARG  72          HD2       ARG  72 -28.304   3.236 -10.673
  557   2HD   ARG  72          HD1       ARG  72 -28.941   2.016  -9.571
  558    HE   ARG  72           HE       ARG  72 -30.852   3.914  -9.521
  559   1HH1  ARG  72          HH11      ARG  72 -29.212   2.283 -12.126
  560   2HH1  ARG  72          HH12      ARG  72 -30.564   2.370 -13.205
  561   1HH2  ARG  72          HH21      ARG  72 -32.641   4.029 -10.932
  562   2HH2  ARG  72          HH22      ARG  72 -32.514   3.362 -12.526
  563    H    ASN  73           HN       ASN  73 -27.569   6.310  -6.433
  564    HA   ASN  73           HA       ASN  73 -29.082   7.067  -4.937
  565   1HB   ASN  73          HB2       ASN  73 -29.557   4.126  -4.359
  566   2HB   ASN  73          HB1       ASN  73 -30.505   5.437  -3.664
  567   1HD2  ASN  73          HD21      ASN  73 -31.327   3.230  -5.381
  568   2HD2  ASN  73          HD22      ASN  73 -32.061   3.953  -6.768
  569    H    GLY  74           HN       GLY  74 -26.243   5.628  -4.370
  570   1HA   GLY  74          HA2       GLY  74 -26.314   6.434  -1.541
  571   2HA   GLY  74          HA1       GLY  74 -25.522   4.954  -2.045
  572    H    GLN  75           HN       GLN  75 -23.846   6.158  -0.740
  573    HA   GLN  75           HA       GLN  75 -22.016   7.419  -2.598
  574   1HB   GLN  75          HB2       GLN  75 -21.516   9.239  -0.845
  575   2HB   GLN  75          HB1       GLN  75 -22.932   9.433  -1.869
  576   1HG   GLN  75          HG2       GLN  75 -24.338   8.553  -0.056
  577   2HG   GLN  75          HG1       GLN  75 -22.908   8.438   0.970
  578   1HE2  GLN  75          HE21      GLN  75 -25.183  10.570  -0.552
  579   2HE2  GLN  75          HE22      GLN  75 -24.748  11.993   0.325
  580    H    VAL  76           HN       VAL  76 -20.874   5.477  -2.297
  581    HA   VAL  76           HA       VAL  76 -20.076   4.290   0.016
  582    HB   VAL  76           HB       VAL  76 -19.386   3.021  -1.700
  583   1HG1  VAL  76          HG11      VAL  76 -18.293   5.393  -3.183
  584   2HG1  VAL  76          HG12      VAL  76 -19.945   4.798  -3.337
  585   3HG1  VAL  76          HG13      VAL  76 -18.593   3.770  -3.808
  586   1HG2  VAL  76          HG21      VAL  76 -16.910   4.650  -1.169
  587   2HG2  VAL  76          HG22      VAL  76 -16.931   3.116  -2.039
  588   3HG2  VAL  76          HG23      VAL  76 -17.416   3.174  -0.345
  589    H    GLU  77           HN       GLU  77 -18.884   4.913   1.742
  590    HA   GLU  77           HA       GLU  77 -17.535   7.444   1.746
  591   1HB   GLU  77          HB2       GLU  77 -18.682   6.717   3.749
  592   2HB   GLU  77          HB1       GLU  77 -17.703   5.258   3.826
  593   1HG   GLU  77          HG2       GLU  77 -16.912   6.826   5.454
  594   2HG   GLU  77          HG1       GLU  77 -15.703   6.659   4.181
  595    H    ILE  78           HN       ILE  78 -15.666   7.615   0.660
  596    HA   ILE  78           HA       ILE  78 -13.605   5.551   1.114
  597    HB   ILE  78           HB       ILE  78 -14.014   7.305  -1.313
  598   1HG1  ILE  78          HG12      ILE  78 -15.501   5.368  -1.230
  599   2HG1  ILE  78          HG11      ILE  78 -14.289   5.155  -2.490
  600   1HG2  ILE  78          HG21      ILE  78 -12.061   6.107  -2.257
  601   2HG2  ILE  78          HG22      ILE  78 -11.771   5.400  -0.668
  602   3HG2  ILE  78          HG23      ILE  78 -11.652   7.145  -0.891
  603   1HD1  ILE  78          HD11      ILE  78 -14.229   3.895   0.242
  604   2HD1  ILE  78          HD12      ILE  78 -13.020   3.678  -1.023
  605   3HD1  ILE  78          HD13      ILE  78 -14.666   3.094  -1.267
  606    H    LYS  79           HN       LYS  79 -11.516   6.231   1.634
  607    HA   LYS  79           HA       LYS  79 -10.691   8.939   1.557
  608   1HB   LYS  79          HB2       LYS  79 -10.694   9.434   3.941
  609   2HB   LYS  79          HB1       LYS  79 -12.330   9.152   3.368
  610   1HG   LYS  79          HG2       LYS  79 -10.629   7.142   4.834
  611   2HG   LYS  79          HG1       LYS  79 -11.893   8.131   5.564
  612   1HD   LYS  79          HD2       LYS  79 -13.468   7.090   3.846
  613   2HD   LYS  79          HD1       LYS  79 -12.178   5.920   3.543
  614   1HE   LYS  79          HE2       LYS  79 -12.209   5.257   5.883
  615   2HE   LYS  79          HE1       LYS  79 -13.454   6.458   6.224
  616   1HZ   LYS  79          HZ1       LYS  79 -13.749   4.122   4.413
  617   2HZ   LYS  79          HZ2       LYS  79 -14.943   5.278   4.722
  618   3HZ   LYS  79          HZ3       LYS  79 -14.410   4.261   5.964
  619    H    THR  80           HN       THR  80  -9.756   6.122   1.124
  620    HA   THR  80           HA       THR  80  -7.148   6.514   2.361
  621    HB   THR  80           HB       THR  80  -7.008   4.197   3.164
  622    HG1  THR  80           HG1      THR  80  -8.459   2.962   2.182
  623   1HG2  THR  80          HG21      THR  80  -9.307   5.810   4.276
  624   2HG2  THR  80          HG22      THR  80  -7.620   5.859   4.791
  625   3HG2  THR  80          HG23      THR  80  -8.589   4.415   5.087
  626    H    ASP  81           HN       ASP  81  -8.612   6.349  -0.342
  627    HA   ASP  81           HA       ASP  81  -8.070   5.673  -2.484
  628   1HB   ASP  81          HB2       ASP  81  -5.491   5.007  -1.087
  629   2HB   ASP  81          HB1       ASP  81  -5.715   4.868  -2.828
  630    H    LEU  82           HN       LEU  82  -8.762   3.749  -0.109
  631    HA   LEU  82           HA       LEU  82  -9.451   1.596   0.122
  632   1HB   LEU  82          HB2       LEU  82  -8.788   1.263  -2.781
  633   2HB   LEU  82          HB1       LEU  82  -9.977   0.372  -1.848
  634    HG   LEU  82           HG       LEU  82 -10.558   3.193  -1.788
  635   1HD1  LEU  82          HD11      LEU  82 -10.175   1.951  -4.498
  636   2HD1  LEU  82          HD12      LEU  82  -9.454   3.434  -3.868
  637   3HD1  LEU  82          HD13      LEU  82 -11.183   3.369  -4.206
  638   1HD2  LEU  82          HD21      LEU  82 -12.697   2.383  -2.735
  639   2HD2  LEU  82          HD22      LEU  82 -12.184   1.540  -1.273
  640   3HD2  LEU  82          HD23      LEU  82 -11.982   0.775  -2.848
  641    H    SER  83           HN       SER  83  -7.028   1.984   1.052
  642    HA   SER  83           HA       SER  83  -5.164   0.089  -0.107
  643   1HB   SER  83          HB2       SER  83  -3.663   0.776   1.743
  644   2HB   SER  83          HB1       SER  83  -4.263   2.159   0.829
  645    HG   SER  83           HG       SER  83  -5.239   1.226   3.325
  646    H    PHE  84           HN       PHE  84  -4.843  -1.958   0.563
  647    HA   PHE  84           HA       PHE  84  -6.646  -3.489   1.851
  648   1HB   PHE  84          HB2       PHE  84  -4.784  -4.526   0.766
  649   2HB   PHE  84          HB1       PHE  84  -3.640  -3.768   1.868
  650    HD1  PHE  84           HD1      PHE  84  -3.052  -4.779   3.901
  651    HD2  PHE  84           HD2      PHE  84  -6.323  -6.312   1.645
  652    HE1  PHE  84           HE1      PHE  84  -3.129  -6.757   5.362
  653    HE2  PHE  84           HE2      PHE  84  -6.404  -8.291   3.103
  654    HZ   PHE  84           HZ       PHE  84  -4.807  -8.515   4.964
  655    H    GLY  85           HN       GLY  85  -7.162  -4.142   3.913
  656   1HA   GLY  85          HA2       GLY  85  -7.158  -4.170   6.224
  657   2HA   GLY  85          HA1       GLY  85  -5.625  -3.311   6.198
  658    H    SER  86           HN       SER  86  -8.777  -2.398   4.822
  659    HA   SER  86           HA       SER  86  -9.029  -0.287   6.815
  660   1HB   SER  86          HB2       SER  86  -8.969   0.283   3.845
  661   2HB   SER  86          HB1       SER  86  -9.390   1.451   5.099
  662    HG   SER  86           HG       SER  86  -7.190   0.769   5.967
  663    H    GLN  87           HN       GLN  87 -11.091   0.791   6.771
  664    HA   GLN  87           HA       GLN  87 -13.205  -0.943   5.679
  665   1HB   GLN  87          HB2       GLN  87 -13.302  -1.183   8.025
  666   2HB   GLN  87          HB1       GLN  87 -13.032   0.532   8.296
  667   1HG   GLN  87          HG2       GLN  87 -15.460  -0.146   6.781
  668   2HG   GLN  87          HG1       GLN  87 -15.433  -0.668   8.466
  669   1HE2  GLN  87          HE21      GLN  87 -13.632   2.108   7.517
  670   2HE2  GLN  87          HE22      GLN  87 -14.663   3.295   8.220
  671    H    ILE  88           HN       ILE  88 -14.750  -0.040   4.446
  672    HA   ILE  88           HA       ILE  88 -14.878   2.902   4.329
  673    HB   ILE  88           HB       ILE  88 -15.338   2.760   1.910
  674   1HG1  ILE  88          HG12      ILE  88 -14.347  -0.088   2.043
  675   2HG1  ILE  88          HG11      ILE  88 -16.062   0.310   2.033
  676   1HG2  ILE  88          HG21      ILE  88 -13.045   2.439   1.223
  677   2HG2  ILE  88          HG22      ILE  88 -12.704   1.523   2.691
  678   3HG2  ILE  88          HG23      ILE  88 -13.089   3.241   2.794
  679   1HD1  ILE  88          HD11      ILE  88 -14.091   1.044  -0.117
  680   2HD1  ILE  88          HD12      ILE  88 -15.823   1.382  -0.128
  681   3HD1  ILE  88          HD13      ILE  88 -15.249  -0.285  -0.185
  682    H    GLU  89           HN       GLU  89 -16.745   3.418   5.217
  683    HA   GLU  89           HA       GLU  89 -19.013   1.707   5.224
  684   1HB   GLU  89          HB2       GLU  89 -19.228   4.656   5.708
  685   2HB   GLU  89          HB1       GLU  89 -20.076   3.336   6.501
  686   1HG   GLU  89          HG2       GLU  89 -17.940   2.689   7.582
  687   2HG   GLU  89          HG1       GLU  89 -17.205   4.127   6.872
  688    H    PHE  90           HN       PHE  90 -21.180   3.094   4.645
  689    HA   PHE  90           HA       PHE  90 -20.926   4.244   1.985
  690   1HB   PHE  90          HB2       PHE  90 -22.733   1.886   2.588
  691   2HB   PHE  90          HB1       PHE  90 -22.685   2.775   1.069
  692    HD1  PHE  90           HD1      PHE  90 -20.769   2.548  -0.453
  693    HD2  PHE  90           HD2      PHE  90 -21.030   0.292   3.160
  694    HE1  PHE  90           HE1      PHE  90 -19.015   1.041  -1.272
  695    HE2  PHE  90           HE2      PHE  90 -19.272  -1.220   2.337
  696    HZ   PHE  90           HZ       PHE  90 -18.262  -0.848   0.122
  697    H    SER  91           HN       SER  91 -23.389   4.861   1.287
  698    HA   SER  91           HA       SER  91 -25.028   5.544   3.545
  699   1HB   SER  91          HB2       SER  91 -23.488   7.724   2.137
  700   2HB   SER  91          HB1       SER  91 -24.888   8.023   3.168
  701    HG   SER  91           HG       SER  91 -22.805   8.185   4.231
  702    H    CYS  92           HN       CYS  92 -27.026   5.369   2.921
  703    HA   CYS  92           HA       CYS  92 -27.673   5.733   0.094
  704   1HB   CYS  92          HB2       CYS  92 -29.235   4.519   2.379
  705   2HB   CYS  92          HB1       CYS  92 -29.923   4.790   0.782
  706    H    SER  93           HN       SER  93 -28.390   7.598  -0.616
  707    HA   SER  93           HA       SER  93 -28.766   9.879   0.861
  708   1HB   SER  93          HB2       SER  93 -30.094  10.715  -1.136
  709   2HB   SER  93          HB1       SER  93 -28.474  10.099  -1.481
  710    HG   SER  93           HG       SER  93 -30.961   8.812  -1.902
  711    H    GLU  94           HN       GLU  94 -30.772  11.237   0.891
  712    HA   GLU  94           HA       GLU  94 -32.597  10.386   2.718
  713   1HB   GLU  94          HB2       GLU  94 -32.463  12.701   2.173
  714   2HB   GLU  94          HB1       GLU  94 -32.877  12.401   0.492
  715   1HG   GLU  94          HG2       GLU  94 -34.784  13.337   1.472
  716   2HG   GLU  94          HG1       GLU  94 -35.119  11.614   1.306
  717    H    GLY  95           HN       GLY  95 -34.684   9.561   2.690
  718   1HA   GLY  95          HA2       GLY  95 -36.529   8.433   1.878
  719   2HA   GLY  95          HA1       GLY  95 -35.971   8.771   0.247
  720    H    PHE  96           HN       PHE  96 -33.318   7.541   0.727
  721    HA   PHE  96           HA       PHE  96 -34.210   4.731   0.617
  722   1HB   PHE  96          HB2       PHE  96 -31.725   5.844  -0.699
  723   2HB   PHE  96          HB1       PHE  96 -32.479   4.276  -0.968
  724    HD1  PHE  96           HD1      PHE  96 -34.826   4.275  -2.007
  725    HD2  PHE  96           HD2      PHE  96 -32.209   7.627  -2.093
  726    HE1  PHE  96           HE1      PHE  96 -36.081   5.197  -3.910
  727    HE2  PHE  96           HE2      PHE  96 -33.460   8.559  -3.997
  728    HZ   PHE  96           HZ       PHE  96 -35.399   7.343  -4.908
  729    H    PHE  97           HN       PHE  97 -33.290   3.315   1.976
  730    HA   PHE  97           HA       PHE  97 -31.158   4.346   3.711
  731   1HB   PHE  97          HB2       PHE  97 -31.901   2.809   5.415
  732   2HB   PHE  97          HB1       PHE  97 -33.280   3.732   4.837
  733    HD1  PHE  97           HD1      PHE  97 -34.612   2.555   2.863
  734    HD2  PHE  97           HD2      PHE  97 -32.158   0.559   5.710
  735    HE1  PHE  97           HE1      PHE  97 -35.861   0.471   2.473
  736    HE2  PHE  97           HE2      PHE  97 -33.402  -1.528   5.323
  737    HZ   PHE  97           HZ       PHE  97 -35.256  -1.573   3.704
  738    H    LEU  98           HN       LEU  98 -29.773   2.566   4.672
  739    HA   LEU  98           HA       LEU  98 -28.616   1.147   2.402
  740   1HB   LEU  98          HB2       LEU  98 -27.256   2.624   3.901
  741   2HB   LEU  98          HB1       LEU  98 -27.493   1.444   5.178
  742    HG   LEU  98           HG       LEU  98 -26.354   0.535   2.571
  743   1HD1  LEU  98          HD11      LEU  98 -25.086   2.536   3.110
  744   2HD1  LEU  98          HD12      LEU  98 -24.109   1.086   3.341
  745   3HD1  LEU  98          HD13      LEU  98 -24.788   1.923   4.737
  746   1HD2  LEU  98          HD21      LEU  98 -25.153  -1.007   4.075
  747   2HD2  LEU  98          HD22      LEU  98 -26.906  -1.128   4.227
  748   3HD2  LEU  98          HD23      LEU  98 -25.973  -0.267   5.449
  749    H    ILE  99           HN       ILE  99 -28.356  -0.997   2.274
  750    HA   ILE  99           HA       ILE  99 -28.964  -2.791   4.479
  751    HB   ILE  99           HB       ILE  99 -30.405  -3.567   2.040
  752   1HG1  ILE  99          HG12      ILE  99 -31.738  -1.475   3.716
  753   2HG1  ILE  99          HG11      ILE  99 -30.726  -0.999   2.358
  754   1HG2  ILE  99          HG21      ILE  99 -30.502  -4.836   4.116
  755   2HG2  ILE  99          HG22      ILE  99 -32.100  -4.247   3.660
  756   3HG2  ILE  99          HG23      ILE  99 -31.198  -3.444   4.946
  757   1HD1  ILE  99          HD11      ILE  99 -33.182  -2.726   2.238
  758   2HD1  ILE  99          HD12      ILE  99 -32.136  -2.352   0.868
  759   3HD1  ILE  99          HD13      ILE  99 -33.024  -1.061   1.678
  760    H    GLY 100           HN       GLY 100 -27.395  -4.158   4.424
  761   1HA   GLY 100          HA2       GLY 100 -26.714  -6.076   2.692
  762   2HA   GLY 100          HA1       GLY 100 -25.879  -4.680   2.008
  763    H    SER 101           HN       SER 101 -24.457  -3.500   3.403
  764    HA   SER 101           HA       SER 101 -23.470  -4.526   5.853
  765   1HB   SER 101          HB2       SER 101 -21.858  -5.074   3.344
  766   2HB   SER 101          HB1       SER 101 -21.160  -5.083   4.964
  767    HG   SER 101           HG       SER 101 -21.715  -7.139   4.726
  768    H    THR 102           HN       THR 102 -23.348  -2.492   6.701
  769    HA   THR 102           HA       THR 102 -22.801  -0.202   5.141
  770    HB   THR 102           HB       THR 102 -22.867   1.053   7.178
  771    HG1  THR 102           HG1      THR 102 -22.293  -1.450   8.368
  772   1HG2  THR 102          HG21      THR 102 -25.040   0.272   6.515
  773   2HG2  THR 102          HG22      THR 102 -24.930   0.161   8.272
  774   3HG2  THR 102          HG23      THR 102 -24.764  -1.290   7.285
  775    H    THR 103           HN       THR 103 -20.747  -2.563   6.385
  776    HA   THR 103           HA       THR 103 -18.497  -0.688   6.195
  777    HB   THR 103           HB       THR 103 -17.258  -2.221   7.664
  778    HG1  THR 103           HG1      THR 103 -19.026  -3.596   8.895
  779   1HG2  THR 103          HG21      THR 103 -18.269  -0.292   8.652
  780   2HG2  THR 103          HG22      THR 103 -18.510  -1.653   9.750
  781   3HG2  THR 103          HG23      THR 103 -19.836  -1.096   8.727
  782    H    SER 104           HN       SER 104 -16.540  -1.524   5.287
  783    HA   SER 104           HA       SER 104 -16.708  -4.041   3.849
  784   1HB   SER 104          HB2       SER 104 -17.521  -2.213   2.299
  785   2HB   SER 104          HB1       SER 104 -15.930  -1.468   2.448
  786    HG   SER 104           HG       SER 104 -15.955  -2.773   0.629
  787    H    ARG 105           HN       ARG 105 -14.922  -5.081   4.423
  788    HA   ARG 105           HA       ARG 105 -12.623  -3.609   5.435
  789   1HB   ARG 105          HB2       ARG 105 -13.128  -6.583   5.301
  790   2HB   ARG 105          HB1       ARG 105 -11.785  -5.809   6.128
  791   1HG   ARG 105          HG2       ARG 105 -13.420  -4.660   7.598
  792   2HG   ARG 105          HG1       ARG 105 -14.705  -5.587   6.820
  793   1HD   ARG 105          HD2       ARG 105 -13.643  -7.668   7.538
  794   2HD   ARG 105          HD1       ARG 105 -12.353  -6.747   8.310
  795    HE   ARG 105           HE       ARG 105 -14.938  -6.005   9.270
  796   1HH1  ARG 105          HH11      ARG 105 -12.399  -8.374   9.568
  797   2HH1  ARG 105          HH12      ARG 105 -12.818  -8.809  11.191
  798   1HH2  ARG 105          HH21      ARG 105 -15.500  -6.575  11.405
  799   2HH2  ARG 105          HH22      ARG 105 -14.581  -7.788  12.235
  800    H    CYS 106           HN       CYS 106 -12.704  -6.545   3.534
  801    HA   CYS 106           HA       CYS 106 -11.886  -6.006   1.085
  802   1HB   CYS 106          HB2       CYS 106  -9.592  -5.416   2.907
  803   2HB   CYS 106          HB1       CYS 106  -9.250  -6.219   1.377
  804    H    GLU 107           HN       GLU 107  -9.462  -7.686   0.850
  805    HA   GLU 107           HA       GLU 107  -9.638 -10.095   2.097
  806   1HB   GLU 107          HB2       GLU 107 -12.012 -10.156   1.396
  807   2HB   GLU 107          HB1       GLU 107 -11.500 -10.119  -0.285
  808   1HG   GLU 107          HG2       GLU 107 -10.380 -12.254  -0.015
  809   2HG   GLU 107          HG1       GLU 107 -10.827 -12.289   1.690
  810    H    VAL 108           HN       VAL 108  -7.882 -11.168   1.512
  811    HA   VAL 108           HA       VAL 108  -6.925 -10.814  -1.250
  812    HB   VAL 108           HB       VAL 108  -5.242 -11.264   1.213
  813   1HG1  VAL 108          HG11      VAL 108  -4.412 -12.371  -0.865
  814   2HG1  VAL 108          HG12      VAL 108  -3.344 -11.103  -0.256
  815   3HG1  VAL 108          HG13      VAL 108  -4.392 -10.783  -1.640
  816   1HG2  VAL 108          HG21      VAL 108  -4.385  -9.009   0.649
  817   2HG2  VAL 108          HG22      VAL 108  -6.091  -9.012   1.104
  818   3HG2  VAL 108          HG23      VAL 108  -5.629  -8.895  -0.597
  819    H    GLN 109           HN       GLN 109  -6.970 -12.517  -2.443
  820    HA   GLN 109           HA       GLN 109  -6.628 -15.162  -1.202
  821   1HB   GLN 109          HB2       GLN 109  -8.055 -15.821  -3.352
  822   2HB   GLN 109          HB1       GLN 109  -8.809 -15.336  -1.839
  823   1HG   GLN 109          HG2       GLN 109  -8.866 -12.985  -2.754
  824   2HG   GLN 109          HG1       GLN 109  -8.393 -13.676  -4.308
  825   1HE2  GLN 109          HE21      GLN 109 -10.842 -12.275  -3.497
  826   2HE2  GLN 109          HE22      GLN 109 -12.142 -13.350  -3.873
  827    H    ASP 110           HN       ASP 110  -4.715 -15.940  -1.719
  828    HA   ASP 110           HA       ASP 110  -2.853 -16.525  -2.870
  829   1HB   ASP 110          HB2       ASP 110  -4.904 -16.611  -5.073
  830   2HB   ASP 110          HB1       ASP 110  -3.248 -17.174  -5.282
  831    H    ARG 111           HN       ARG 111  -4.034 -15.051  -5.774
  832    HA   ARG 111           HA       ARG 111  -2.086 -12.890  -5.440
  833   1HB   ARG 111          HB2       ARG 111  -1.782 -12.953  -7.906
  834   2HB   ARG 111          HB1       ARG 111  -1.262 -14.426  -7.100
  835   1HG   ARG 111          HG2       ARG 111  -3.274 -15.564  -7.781
  836   2HG   ARG 111          HG1       ARG 111  -3.909 -14.076  -8.487
  837   1HD   ARG 111          HD2       ARG 111  -2.994 -15.538 -10.210
  838   2HD   ARG 111          HD1       ARG 111  -2.068 -14.042 -10.091
  839    HE   ARG 111           HE       ARG 111  -0.898 -16.048  -8.479
  840   1HH1  ARG 111          HH11      ARG 111  -1.300 -15.106 -11.810
  841   2HH1  ARG 111          HH12      ARG 111   0.162 -15.869 -12.337
  842   1HH2  ARG 111          HH21      ARG 111   1.028 -17.060  -9.165
  843   2HH2  ARG 111          HH22      ARG 111   1.485 -16.981 -10.834
  844    H    GLY 112           HN       GLY 112  -4.932 -12.898  -4.766
  845   1HA   GLY 112          HA2       GLY 112  -5.699 -10.616  -6.436
  846   2HA   GLY 112          HA1       GLY 112  -6.851 -11.924  -6.226
  847    H    VAL 113           HN       VAL 113  -5.354  -9.174  -4.899
  848    HA   VAL 113           HA       VAL 113  -6.645  -9.469  -2.305
  849    HB   VAL 113           HB       VAL 113  -4.475  -8.613  -2.046
  850   1HG1  VAL 113          HG11      VAL 113  -5.078  -6.732  -4.322
  851   2HG1  VAL 113          HG12      VAL 113  -4.004  -8.133  -4.368
  852   3HG1  VAL 113          HG13      VAL 113  -3.591  -6.737  -3.374
  853   1HG2  VAL 113          HG21      VAL 113  -6.237  -6.174  -2.113
  854   2HG2  VAL 113          HG22      VAL 113  -4.729  -6.357  -1.215
  855   3HG2  VAL 113          HG23      VAL 113  -6.136  -7.333  -0.786
  856    H    GLY 114           HN       GLY 114  -8.068  -7.883  -1.436
  857   1HA   GLY 114          HA2       GLY 114  -8.895  -5.562  -2.186
  858   2HA   GLY 114          HA1       GLY 114  -9.460  -6.447  -3.580
  859    H    TRP 115           HN       TRP 115 -11.448  -5.288  -2.775
  860    HA   TRP 115           HA       TRP 115 -12.671  -6.048  -0.334
  861   1HB   TRP 115          HB2       TRP 115 -14.145  -5.036  -2.757
  862   2HB   TRP 115          HB1       TRP 115 -14.627  -4.907  -1.071
  863    HD1  TRP 115           HD1      TRP 115 -12.744  -3.133  -3.745
  864    HE1  TRP 115           HE1      TRP 115 -11.785  -0.929  -2.838
  865    HE3  TRP 115           HE3      TRP 115 -13.574  -3.879   1.240
  866    HZ2  TRP 115           HZ2      TRP 115 -11.419   0.330  -0.342
  867    HZ3  TRP 115           HZ3      TRP 115 -12.886  -2.123   2.818
  868    HH2  TRP 115           HH2      TRP 115 -11.831  -0.065   2.045
  869    H    SER 116           HN       SER 116 -14.421  -7.380   0.069
  870    HA   SER 116           HA       SER 116 -14.740  -9.592  -1.838
  871   1HB   SER 116          HB2       SER 116 -13.944 -10.227   0.411
  872   2HB   SER 116          HB1       SER 116 -15.372  -9.480   1.126
  873    HG   SER 116           HG       SER 116 -16.444 -11.046  -0.516
  874    H    HIS 117           HN       HIS 117 -16.431  -7.192   0.072
  875    HA   HIS 117           HA       HIS 117 -18.946  -7.893  -1.296
  876   1HB   HIS 117          HB2       HIS 117 -18.481  -6.578   1.388
  877   2HB   HIS 117          HB1       HIS 117 -20.056  -6.665   0.608
  878    HD1  HIS 117           HD1      HIS 117 -21.388  -8.745   0.974
  879    HD2  HIS 117           HD2      HIS 117 -17.411  -9.191   2.097
  880    HE1  HIS 117           HE1      HIS 117 -21.260 -10.980   2.118
  881    HE2  HIS 117           HE2      HIS 117 -18.831 -11.260   2.728
  882    HA   PRO 118           HA       PRO 118 -18.522  -3.812  -3.042
  883   1HB   PRO 118          HB2       PRO 118 -20.567  -3.987  -4.781
  884   2HB   PRO 118          HB1       PRO 118 -19.073  -4.901  -4.993
  885   1HG   PRO 118          HG2       PRO 118 -21.749  -5.840  -4.206
  886   2HG   PRO 118          HG1       PRO 118 -20.402  -6.746  -4.909
  887   1HD   PRO 118          HD2       PRO 118 -21.203  -6.585  -2.149
  888   2HD   PRO 118          HD1       PRO 118 -19.890  -7.546  -2.858
  889    H    LEU 119           HN       LEU 119 -20.803  -2.464  -4.064
  890    HA   LEU 119           HA       LEU 119 -21.588  -0.922  -1.903
  891   1HB   LEU 119          HB2       LEU 119 -22.953  -1.322  -4.563
  892   2HB   LEU 119          HB1       LEU 119 -23.277  -0.014  -3.452
  893    HG   LEU 119           HG       LEU 119 -21.890   0.798  -5.225
  894   1HD1  LEU 119          HD11      LEU 119 -20.261   0.450  -2.721
  895   2HD1  LEU 119          HD12      LEU 119 -21.460   1.711  -3.011
  896   3HD1  LEU 119          HD13      LEU 119 -19.984   1.658  -3.975
  897   1HD2  LEU 119          HD21      LEU 119 -19.903  -1.334  -4.499
  898   2HD2  LEU 119          HD22      LEU 119 -19.704  -0.085  -5.732
  899   3HD2  LEU 119          HD23      LEU 119 -20.935  -1.333  -5.931
  900    HA   PRO 120           HA       PRO 120 -24.957  -3.213  -0.162
  901   1HB   PRO 120          HB2       PRO 120 -26.255  -1.276   1.155
  902   2HB   PRO 120          HB1       PRO 120 -24.630  -1.780   1.633
  903   1HG   PRO 120          HG2       PRO 120 -25.486   0.601   0.032
  904   2HG   PRO 120          HG1       PRO 120 -24.269   0.496   1.316
  905   1HD   PRO 120          HD2       PRO 120 -23.688   0.477  -1.373
  906   2HD   PRO 120          HD1       PRO 120 -22.646  -0.229  -0.123
  907    H    GLN 121           HN       GLN 121 -27.487  -1.786   0.361
  908    HA   GLN 121           HA       GLN 121 -28.576  -1.584  -2.368
  909   1HB   GLN 121          HB2       GLN 121 -29.118  -3.797  -1.418
  910   2HB   GLN 121          HB1       GLN 121 -29.863  -3.011  -0.033
  911   1HG   GLN 121          HG2       GLN 121 -31.664  -3.562  -1.379
  912   2HG   GLN 121          HG1       GLN 121 -31.377  -1.861  -1.746
  913   1HE2  GLN 121          HE21      GLN 121 -31.225  -5.112  -2.927
  914   2HE2  GLN 121          HE22      GLN 121 -30.936  -4.717  -4.583
  915    H    CYS 122           HN       CYS 122 -29.481   0.383  -2.663
  916    HA   CYS 122           HA       CYS 122 -30.479   1.791  -0.288
  917   1HB   CYS 122          HB2       CYS 122 -29.619   2.829  -2.998
  918   2HB   CYS 122          HB1       CYS 122 -30.335   3.830  -1.739
  919    H    GLU 123           HN       GLU 123 -32.611   1.359  -0.027
  920    HA   GLU 123           HA       GLU 123 -34.343   1.618  -2.395
  921   1HB   GLU 123          HB2       GLU 123 -34.141  -0.749  -1.684
  922   2HB   GLU 123          HB1       GLU 123 -34.703  -0.296  -0.081
  923   1HG   GLU 123          HG2       GLU 123 -36.821   0.488  -1.101
  924   2HG   GLU 123          HG1       GLU 123 -36.253  -0.130  -2.652
  925    H    ILE 124           HN       ILE 124 -36.293   2.619  -2.096
  926    HA   ILE 124           HA       ILE 124 -36.337   4.676  -0.165
  927    HB   ILE 124           HB       ILE 124 -37.415   4.934  -2.334
  928   1HG1  ILE 124          HG12      ILE 124 -39.462   5.053  -0.112
  929   2HG1  ILE 124          HG11      ILE 124 -38.197   6.250  -0.362
  930   1HG2  ILE 124          HG21      ILE 124 -39.427   2.913  -1.359
  931   2HG2  ILE 124          HG22      ILE 124 -38.203   2.628  -2.596
  932   3HG2  ILE 124          HG23      ILE 124 -39.489   3.800  -2.882
  933   1HD1  ILE 124          HD11      ILE 124 -40.448   5.599  -2.244
  934   2HD1  ILE 124          HD12      ILE 124 -39.142   6.733  -2.585
  935   3HD1  ILE 124          HD13      ILE 124 -40.268   7.056  -1.266
  936    H    LEU 125           HN       LEU 125 -37.316   4.866   1.763
  937    HA   LEU 125           HA       LEU 125 -37.991   2.587   3.249
  938   1HB   LEU 125          HB2       LEU 125 -38.525   5.513   3.730
  939   2HB   LEU 125          HB1       LEU 125 -38.882   4.267   4.910
  940    HG   LEU 125           HG       LEU 125 -36.122   4.805   3.809
  941   1HD1  LEU 125          HD11      LEU 125 -36.878   6.744   5.041
  942   2HD1  LEU 125          HD12      LEU 125 -35.681   5.861   5.990
  943   3HD1  LEU 125          HD13      LEU 125 -37.395   5.723   6.383
  944   1HD2  LEU 125          HD21      LEU 125 -36.520   2.526   4.661
  945   2HD2  LEU 125          HD22      LEU 125 -37.016   3.214   6.208
  946   3HD2  LEU 125          HD23      LEU 125 -35.359   3.425   5.638
  947    H    GLU 126           HN       GLU 126 -40.234   5.295   2.733
  948    HA   GLU 126           HA       GLU 126 -42.405   3.326   2.441
  949   1HB   GLU 126          HB2       GLU 126 -43.914   5.067   3.266
  950   2HB   GLU 126          HB1       GLU 126 -42.619   4.763   4.415
  951   1HG   GLU 126          HG2       GLU 126 -41.453   6.758   3.645
  952   2HG   GLU 126          HG1       GLU 126 -42.735   7.059   2.471
  953    H    HIS 127           HN       HIS 127 -44.277   5.402   1.565
  954    HA   HIS 127           HA       HIS 127 -43.730   5.253  -1.248
  955   1HB   HIS 127          HB2       HIS 127 -46.021   5.092  -0.135
  956   2HB   HIS 127          HB1       HIS 127 -45.940   6.840   0.056
  957    HD1  HIS 127           HD1      HIS 127 -47.205   7.988  -1.716
  958    HD2  HIS 127           HD2      HIS 127 -45.454   4.485  -3.105
  959    HE1  HIS 127           HE1      HIS 127 -47.865   7.820  -4.138
  960    HE2  HIS 127           HE2      HIS 127 -46.722   5.739  -4.978
  961    H    HIS 128           HN       HIS 128 -43.695   7.103  -2.695
  962    HA   HIS 128           HA       HIS 128 -42.446   9.458  -1.437
  963   1HB   HIS 128          HB2       HIS 128 -40.907   8.142  -2.854
  964   2HB   HIS 128          HB1       HIS 128 -41.993   8.364  -4.223
  965    HD1  HIS 128           HD1      HIS 128 -39.285  10.006  -2.336
  966    HD2  HIS 128           HD2      HIS 128 -42.082  11.048  -5.227
  967    HE1  HIS 128           HE1      HIS 128 -38.495  12.201  -3.276
  968    HE2  HIS 128           HE2      HIS 128 -40.158  12.772  -5.080
  969    H    HIS 129           HN       HIS 129 -44.165   8.564  -4.433
  970    HA   HIS 129           HA       HIS 129 -44.985  11.128  -5.136
  971   1HB   HIS 129          HB2       HIS 129 -46.355   8.490  -5.693
  972   2HB   HIS 129          HB1       HIS 129 -46.697  10.005  -6.525
  973    HD1  HIS 129           HD1      HIS 129 -44.416   7.124  -6.533
  974    HD2  HIS 129           HD2      HIS 129 -44.536  10.932  -8.190
  975    HE1  HIS 129           HE1      HIS 129 -42.677   7.121  -8.350
  976    HE2  HIS 129           HE2      HIS 129 -42.819   9.413  -9.387
  977    H    HIS 130           HN       HIS 130 -47.385  11.750  -5.302
  978    HA   HIS 130           HA       HIS 130 -48.833  11.107  -2.834
  979   1HB   HIS 130          HB2       HIS 130 -49.404  13.554  -2.613
  980   2HB   HIS 130          HB1       HIS 130 -47.726  13.148  -2.270
  981    HD1  HIS 130           HD1      HIS 130 -46.007  14.465  -3.484
  982    HD2  HIS 130           HD2      HIS 130 -49.734  14.702  -5.306
  983    HE1  HIS 130           HE1      HIS 130 -45.746  16.152  -5.331
  984    HE2  HIS 130           HE2      HIS 130 -47.987  16.206  -6.480
  985    H    HIS 131           HN       HIS 131 -48.829  12.204  -6.136
  986    HA   HIS 131           HA       HIS 131 -50.424  12.244  -7.753
  987   1HB   HIS 131          HB2       HIS 131 -51.994  10.517  -5.828
  988   2HB   HIS 131          HB1       HIS 131 -52.325  10.715  -7.546
  989    HD1  HIS 131           HD1      HIS 131 -49.761   9.223  -5.214
  990    HD2  HIS 131           HD2      HIS 131 -50.869   9.086  -9.217
  991    HE1  HIS 131           HE1      HIS 131 -48.411   7.356  -6.223
  992    HE2  HIS 131           HE2      HIS 131 -49.033   7.351  -8.664
  993    H    HIS 132           HN       HIS 132 -52.920  12.693  -8.070
  994    HA   HIS 132           HA       HIS 132 -54.577  14.240  -7.942
  995   1HB   HIS 132          HB2       HIS 132 -53.972  14.100  -4.980
  996   2HB   HIS 132          HB1       HIS 132 -55.410  14.827  -5.691
  997    HD1  HIS 132           HD1      HIS 132 -54.028  11.630  -4.556
  998    HD2  HIS 132           HD2      HIS 132 -57.162  12.908  -6.967
  999    HE1  HIS 132           HE1      HIS 132 -55.546   9.638  -4.797
 1000    HE2  HIS 132           HE2      HIS 132 -57.402  10.417  -6.312
  Start of MODEL   11
    1   1H    MET   0           HT1      MET   0  35.388  -3.546  -4.109
    2   2H    MET   0           HT2      MET   0  34.331  -2.274  -4.458
    3   3H    MET   0           HT3      MET   0  33.733  -3.846  -4.283
    4    HA   MET   0           HA       MET   0  34.325  -3.877  -1.969
    5   1HB   MET   0          HB2       MET   0  35.258  -1.047  -2.492
    6   2HB   MET   0          HB1       MET   0  35.128  -1.788  -0.903
    7   1HG   MET   0          HG2       MET   0  36.797  -3.453  -1.542
    8   2HG   MET   0          HG1       MET   0  36.931  -2.705  -3.132
    9   1HE   MET   0          HE1       MET   0  37.938  -0.282  -3.554
   10   2HE   MET   0          HE2       MET   0  38.435   0.802  -2.254
   11   3HE   MET   0          HE3       MET   0  36.734   0.377  -2.447
   12    H    ASN   1           HN       ASN   1  33.000  -1.166  -3.811
   13    HA   ASN   1           HA       ASN   1  30.920  -0.705  -1.850
   14   1HB   ASN   1          HB2       ASN   1  31.800   0.615  -4.371
   15   2HB   ASN   1          HB1       ASN   1  30.132   0.852  -3.856
   16   1HD2  ASN   1          HD21      ASN   1  29.724   1.860  -1.876
   17   2HD2  ASN   1          HD22      ASN   1  30.900   2.869  -1.114
   18    H    CYS   2           HN       CYS   2  28.645  -0.746  -2.398
   19    HA   CYS   2           HA       CYS   2  28.002  -3.130  -3.928
   20   1HB   CYS   2          HB2       CYS   2  26.373  -1.387  -2.084
   21   2HB   CYS   2          HB1       CYS   2  25.694  -2.745  -2.975
   22    H    GLY   3           HN       GLY   3  28.245   0.115  -4.592
   23   1HA   GLY   3          HA2       GLY   3  27.753   1.160  -6.621
   24   2HA   GLY   3          HA1       GLY   3  26.718  -0.198  -7.044
   25    HA   PRO   4           HA       PRO   4  24.451   3.826  -5.438
   26   1HB   PRO   4          HB2       PRO   4  23.468   3.579  -8.253
   27   2HB   PRO   4          HB1       PRO   4  23.733   5.032  -7.280
   28   1HG   PRO   4          HG2       PRO   4  25.498   4.359  -9.138
   29   2HG   PRO   4          HG1       PRO   4  26.050   4.945  -7.559
   30   1HD   PRO   4          HD2       PRO   4  26.000   2.156  -8.633
   31   2HD   PRO   4          HD1       PRO   4  27.206   2.946  -7.596
   32    HA   PRO   5           HA       PRO   5  21.298   0.856  -4.402
   33   1HB   PRO   5          HB2       PRO   5  19.637   2.683  -3.175
   34   2HB   PRO   5          HB1       PRO   5  21.004   1.886  -2.392
   35   1HG   PRO   5          HG2       PRO   5  20.843   4.609  -3.617
   36   2HG   PRO   5          HG1       PRO   5  21.643   4.098  -2.119
   37   1HD   PRO   5          HD2       PRO   5  23.035   4.542  -4.364
   38   2HD   PRO   5          HD1       PRO   5  23.477   3.235  -3.245
   39    HA   PRO   6           HA       PRO   6  18.600   1.298  -7.936
   40   1HB   PRO   6          HB2       PRO   6  16.717  -0.503  -6.932
   41   2HB   PRO   6          HB1       PRO   6  18.103  -0.921  -7.940
   42   1HG   PRO   6          HG2       PRO   6  17.775  -1.097  -4.985
   43   2HG   PRO   6          HG1       PRO   6  18.649  -2.179  -6.086
   44   1HD   PRO   6          HD2       PRO   6  19.941  -0.435  -4.518
   45   2HD   PRO   6          HD1       PRO   6  20.510  -0.802  -6.160
   46    H    THR   7           HN       THR   7  16.134   1.301  -8.133
   47    HA   THR   7           HA       THR   7  15.124   3.430  -6.395
   48    HB   THR   7           HB       THR   7  15.056   3.839  -8.835
   49    HG1  THR   7           HG1      THR   7  12.927   4.573  -8.835
   50   1HG2  THR   7          HG21      THR   7  13.499   2.585 -10.249
   51   2HG2  THR   7          HG22      THR   7  13.136   1.511  -8.898
   52   3HG2  THR   7          HG23      THR   7  14.756   1.535  -9.594
   53    H    LEU   8           HN       LEU   8  13.537   3.026  -4.943
   54    HA   LEU   8           HA       LEU   8  12.323   0.364  -5.015
   55   1HB   LEU   8          HB2       LEU   8  12.535   2.319  -2.726
   56   2HB   LEU   8          HB1       LEU   8  11.885   0.694  -2.633
   57    HG   LEU   8           HG       LEU   8  14.221  -0.056  -3.445
   58   1HD1  LEU   8          HD11      LEU   8  16.031   1.474  -2.703
   59   2HD1  LEU   8          HD12      LEU   8  14.818   2.741  -2.516
   60   3HD1  LEU   8          HD13      LEU   8  15.132   2.046  -4.107
   61   1HD2  LEU   8          HD21      LEU   8  13.805   1.102  -0.693
   62   2HD2  LEU   8          HD22      LEU   8  15.074  -0.041  -1.133
   63   3HD2  LEU   8          HD23      LEU   8  13.381  -0.525  -1.224
   64    H    SER   9           HN       SER   9  10.434   0.408  -6.058
   65    HA   SER   9           HA       SER   9   8.715   2.704  -6.044
   66   1HB   SER   9          HB2       SER   9   7.195   1.298  -7.378
   67   2HB   SER   9          HB1       SER   9   8.841   1.223  -8.008
   68    HG   SER   9           HG       SER   9   9.090  -0.782  -7.062
   69    H    PHE  10           HN       PHE  10   9.337   0.312  -3.854
   70    HA   PHE  10           HA       PHE  10   6.614   0.249  -2.781
   71   1HB   PHE  10          HB2       PHE  10   7.977  -1.376  -1.117
   72   2HB   PHE  10          HB1       PHE  10   7.241  -1.925  -2.617
   73    HD1  PHE  10           HD1      PHE  10  10.360  -1.205  -0.890
   74    HD2  PHE  10           HD2      PHE  10   8.603  -2.403  -4.574
   75    HE1  PHE  10           HE1      PHE  10  12.555  -1.989  -1.675
   76    HE2  PHE  10           HE2      PHE  10  10.796  -3.189  -5.369
   77    HZ   PHE  10           HZ       PHE  10  12.775  -2.984  -3.917
   78    H    ALA  11           HN       ALA  11   9.281   2.119  -2.553
   79    HA   ALA  11           HA       ALA  11   8.412   3.237  -0.011
   80   1HB   ALA  11          HB1       ALA  11  10.139   1.590   0.584
   81   2HB   ALA  11          HB2       ALA  11  10.647   3.242   0.929
   82   3HB   ALA  11          HB3       ALA  11  11.272   2.407  -0.493
   83    H    ALA  12           HN       ALA  12  10.653   4.870   0.290
   84    HA   ALA  12           HA       ALA  12  11.210   6.380  -2.014
   85   1HB   ALA  12          HB1       ALA  12   9.164   7.636  -0.185
   86   2HB   ALA  12          HB2       ALA  12   8.843   7.021  -1.806
   87   3HB   ALA  12          HB3       ALA  12   9.925   8.396  -1.582
   88    HA   PRO  13           HA       PRO  13  14.594   7.554   0.581
   89   1HB   PRO  13          HB2       PRO  13  14.402  10.142  -0.891
   90   2HB   PRO  13          HB1       PRO  13  15.804   9.101  -0.628
   91   1HG   PRO  13          HG2       PRO  13  14.573   9.160  -2.992
   92   2HG   PRO  13          HG1       PRO  13  15.204   7.643  -2.330
   93   1HD   PRO  13          HD2       PRO  13  12.392   8.609  -2.511
   94   2HD   PRO  13          HD1       PRO  13  13.028   6.957  -2.627
   95    H    MET  14           HN       MET  14  15.033   8.882   2.368
   96    HA   MET  14           HA       MET  14  13.135  10.968   3.054
   97   1HB   MET  14          HB2       MET  14  12.072   8.933   3.896
   98   2HB   MET  14          HB1       MET  14  13.531   8.530   4.787
   99   1HG   MET  14          HG2       MET  14  13.253  10.573   6.121
  100   2HG   MET  14          HG1       MET  14  11.754  10.908   5.257
  101   1HE   MET  14          HE1       MET  14  11.987  10.777   8.411
  102   2HE   MET  14          HE2       MET  14  10.566   9.828   8.851
  103   3HE   MET  14          HE3       MET  14  10.445  11.071   7.605
  104    H    ASP  15           HN       ASP  15  16.052   9.190   3.785
  105    HA   ASP  15           HA       ASP  15  17.400  11.574   4.603
  106   1HB   ASP  15          HB2       ASP  15  16.120  10.947   6.654
  107   2HB   ASP  15          HB1       ASP  15  17.026   9.442   6.709
  108    H    ILE  16           HN       ILE  16  18.960  11.095   3.126
  109    HA   ILE  16           HA       ILE  16  20.993   9.274   3.884
  110    HB   ILE  16           HB       ILE  16  19.595   7.625   2.928
  111   1HG1  ILE  16          HG12      ILE  16  22.093   7.881   2.125
  112   2HG1  ILE  16          HG11      ILE  16  21.037   6.647   1.463
  113   1HG2  ILE  16          HG21      ILE  16  19.272   9.411   0.544
  114   2HG2  ILE  16          HG22      ILE  16  18.057   9.096   1.786
  115   3HG2  ILE  16          HG23      ILE  16  18.595   7.792   0.724
  116   1HD1  ILE  16          HD11      ILE  16  20.613   8.016  -0.493
  117   2HD1  ILE  16          HD12      ILE  16  22.341   7.735  -0.274
  118   3HD1  ILE  16          HD13      ILE  16  21.637   9.289   0.171
  119    H    THR  17           HN       THR  17  19.628  11.620   1.906
  120    HA   THR  17           HA       THR  17  20.394  13.113   0.373
  121    HB   THR  17           HB       THR  17  22.726  13.933   0.669
  122    HG1  THR  17           HG1      THR  17  23.433  12.976   2.955
  123   1HG2  THR  17          HG21      THR  17  20.865  14.943   1.897
  124   2HG2  THR  17          HG22      THR  17  22.343  14.958   2.859
  125   3HG2  THR  17          HG23      THR  17  21.083  13.772   3.198
  126    H    LEU  18           HN       LEU  18  20.305  12.242  -1.589
  127    HA   LEU  18           HA       LEU  18  21.996  10.115  -2.396
  128   1HB   LEU  18          HB2       LEU  18  19.867  11.768  -3.645
  129   2HB   LEU  18          HB1       LEU  18  20.925  10.855  -4.697
  130    HG   LEU  18           HG       LEU  18  18.920   9.576  -4.293
  131   1HD1  LEU  18          HD11      LEU  18  19.880   7.534  -3.313
  132   2HD1  LEU  18          HD12      LEU  18  21.260   8.474  -2.744
  133   3HD1  LEU  18          HD13      LEU  18  20.969   8.295  -4.475
  134   1HD2  LEU  18          HD21      LEU  18  18.281  10.660  -2.179
  135   2HD2  LEU  18          HD22      LEU  18  19.572   9.782  -1.356
  136   3HD2  LEU  18          HD23      LEU  18  18.224   8.900  -2.074
  137    H    THR  19           HN       THR  19  23.262  12.629  -1.590
  138    HA   THR  19           HA       THR  19  24.334  13.893  -3.923
  139    HB   THR  19           HB       THR  19  25.697  15.174  -2.426
  140    HG1  THR  19           HG1      THR  19  25.258  14.318  -0.027
  141   1HG2  THR  19          HG21      THR  19  23.990  15.891  -0.702
  142   2HG2  THR  19          HG22      THR  19  22.961  14.585  -1.298
  143   3HG2  THR  19          HG23      THR  19  23.433  15.902  -2.375
  144    H    GLU  20           HN       GLU  20  24.863  10.951  -2.506
  145    HA   GLU  20           HA       GLU  20  27.643  10.815  -3.470
  146   1HB   GLU  20          HB2       GLU  20  26.268   9.118  -1.378
  147   2HB   GLU  20          HB1       GLU  20  27.925   8.908  -1.925
  148   1HG   GLU  20          HG2       GLU  20  26.825  11.334  -0.523
  149   2HG   GLU  20          HG1       GLU  20  27.821  10.074   0.208
  150    H    THR  21           HN       THR  21  28.288   8.825  -4.522
  151    HA   THR  21           HA       THR  21  26.031   7.530  -5.907
  152    HB   THR  21           HB       THR  21  28.847   7.533  -6.960
  153    HG1  THR  21           HG1      THR  21  27.672   9.378  -8.281
  154   1HG2  THR  21          HG21      THR  21  27.714   7.276  -9.109
  155   2HG2  THR  21          HG22      THR  21  26.148   7.376  -8.304
  156   3HG2  THR  21          HG23      THR  21  27.219   6.013  -7.981
  157    H    ARG  22           HN       ARG  22  28.734   7.045  -3.857
  158    HA   ARG  22           HA       ARG  22  28.397   4.127  -4.079
  159   1HB   ARG  22          HB2       ARG  22  30.955   5.615  -3.488
  160   2HB   ARG  22          HB1       ARG  22  30.765   3.869  -3.516
  161   1HG   ARG  22          HG2       ARG  22  30.288   3.918  -5.883
  162   2HG   ARG  22          HG1       ARG  22  30.346   5.683  -5.883
  163   1HD   ARG  22          HD2       ARG  22  32.639   3.839  -5.221
  164   2HD   ARG  22          HD1       ARG  22  32.424   4.715  -6.736
  165    HE   ARG  22           HE       ARG  22  32.419   6.731  -5.030
  166   1HH1  ARG  22          HH11      ARG  22  34.488   3.929  -5.132
  167   2HH1  ARG  22          HH12      ARG  22  35.843   4.746  -4.428
  168   1HH2  ARG  22          HH21      ARG  22  34.195   7.813  -4.103
  169   2HH2  ARG  22          HH22      ARG  22  35.676   6.954  -3.841
  170    H    PHE  23           HN       PHE  23  28.559   2.958  -2.100
  171    HA   PHE  23           HA       PHE  23  28.757   4.485   0.375
  172   1HB   PHE  23          HB2       PHE  23  26.367   2.713  -0.191
  173   2HB   PHE  23          HB1       PHE  23  26.644   3.693   1.244
  174    HD1  PHE  23           HD1      PHE  23  26.111   3.941  -2.418
  175    HD2  PHE  23           HD2      PHE  23  25.804   5.868   1.365
  176    HE1  PHE  23           HE1      PHE  23  24.915   5.803  -3.471
  177    HE2  PHE  23           HE2      PHE  23  24.599   7.737   0.315
  178    HZ   PHE  23           HZ       PHE  23  24.149   7.707  -2.106
  179    H    LYS  24           HN       LYS  24  30.215   3.396   1.548
  180    HA   LYS  24           HA       LYS  24  31.198   0.872   1.004
  181   1HB   LYS  24          HB2       LYS  24  31.981   0.932   3.459
  182   2HB   LYS  24          HB1       LYS  24  32.567   2.170   2.359
  183   1HG   LYS  24          HG2       LYS  24  31.003   3.770   3.242
  184   2HG   LYS  24          HG1       LYS  24  30.245   2.529   4.242
  185   1HD   LYS  24          HD2       LYS  24  31.654   3.721   5.700
  186   2HD   LYS  24          HD1       LYS  24  32.524   2.232   5.332
  187   1HE   LYS  24          HE2       LYS  24  32.980   4.835   3.886
  188   2HE   LYS  24          HE1       LYS  24  33.914   4.321   5.290
  189   1HZ   LYS  24          HZ1       LYS  24  34.511   2.297   4.011
  190   2HZ   LYS  24          HZ2       LYS  24  35.112   3.729   3.343
  191   3HZ   LYS  24          HZ3       LYS  24  33.766   2.976   2.651
  192    H    THR  25           HN       THR  25  31.263  -0.960   2.679
  193    HA   THR  25           HA       THR  25  28.689  -2.115   2.770
  194    HB   THR  25           HB       THR  25  29.939  -3.816   4.288
  195    HG1  THR  25           HG1      THR  25  31.873  -1.967   3.729
  196   1HG2  THR  25          HG21      THR  25  30.860  -3.475   1.437
  197   2HG2  THR  25          HG22      THR  25  29.279  -4.110   1.885
  198   3HG2  THR  25          HG23      THR  25  30.739  -4.985   2.345
  199    H    GLY  26           HN       GLY  26  30.077   0.147   4.765
  200   1HA   GLY  26          HA2       GLY  26  28.558  -0.751   7.128
  201   2HA   GLY  26          HA1       GLY  26  29.879   0.411   7.155
  202    H    THR  27           HN       THR  27  27.528   0.556   4.666
  203    HA   THR  27           HA       THR  27  26.547   3.107   5.745
  204    HB   THR  27           HB       THR  27  27.552   2.844   3.355
  205    HG1  THR  27           HG1      THR  27  26.667   4.761   3.294
  206   1HG2  THR  27          HG21      THR  27  26.222   2.003   1.666
  207   2HG2  THR  27          HG22      THR  27  24.731   2.222   2.588
  208   3HG2  THR  27          HG23      THR  27  25.828   0.896   2.983
  209    H    THR  28           HN       THR  28  24.261   3.635   5.374
  210    HA   THR  28           HA       THR  28  22.387   1.531   4.880
  211    HB   THR  28           HB       THR  28  22.605   2.614   7.702
  212    HG1  THR  28           HG1      THR  28  24.026   0.889   7.330
  213   1HG2  THR  28          HG21      THR  28  20.536   0.795   6.462
  214   2HG2  THR  28          HG22      THR  28  20.272   2.435   7.056
  215   3HG2  THR  28          HG23      THR  28  20.679   1.143   8.185
  216    H    LEU  29           HN       LEU  29  20.680   2.423   3.936
  217    HA   LEU  29           HA       LEU  29  20.378   5.317   4.133
  218   1HB   LEU  29          HB2       LEU  29  18.972   3.452   2.234
  219   2HB   LEU  29          HB1       LEU  29  19.086   5.195   2.119
  220    HG   LEU  29           HG       LEU  29  21.655   4.758   1.938
  221   1HD1  LEU  29          HD11      LEU  29  22.127   2.610   0.798
  222   2HD1  LEU  29          HD12      LEU  29  20.484   2.088   1.180
  223   3HD1  LEU  29          HD13      LEU  29  21.630   2.415   2.480
  224   1HD2  LEU  29          HD21      LEU  29  21.470   4.652  -0.459
  225   2HD2  LEU  29          HD22      LEU  29  20.168   5.663   0.169
  226   3HD2  LEU  29          HD23      LEU  29  19.832   4.009  -0.343
  227    H    LYS  30           HN       LYS  30  18.423   6.331   4.588
  228    HA   LYS  30           HA       LYS  30  16.536   4.723   6.126
  229   1HB   LYS  30          HB2       LYS  30  17.305   7.598   6.056
  230   2HB   LYS  30          HB1       LYS  30  15.647   7.217   6.492
  231   1HG   LYS  30          HG2       LYS  30  16.451   5.796   8.311
  232   2HG   LYS  30          HG1       LYS  30  18.118   6.164   7.861
  233   1HD   LYS  30          HD2       LYS  30  17.734   8.527   8.341
  234   2HD   LYS  30          HD1       LYS  30  16.056   8.175   8.766
  235   1HE   LYS  30          HE2       LYS  30  16.812   6.751  10.599
  236   2HE   LYS  30          HE1       LYS  30  18.491   7.078  10.168
  237   1HZ   LYS  30          HZ1       LYS  30  18.145   9.405  10.675
  238   2HZ   LYS  30          HZ2       LYS  30  17.743   8.455  12.016
  239   3HZ   LYS  30          HZ3       LYS  30  16.520   9.117  11.053
  240    H    TYR  31           HN       TYR  31  14.578   4.236   5.354
  241    HA   TYR  31           HA       TYR  31  13.533   5.815   3.113
  242   1HB   TYR  31          HB2       TYR  31  14.047   2.878   3.221
  243   2HB   TYR  31          HB1       TYR  31  12.619   3.439   2.350
  244    HD1  TYR  31           HD1      TYR  31  16.302   3.578   2.485
  245    HD2  TYR  31           HD2      TYR  31  12.820   4.525   0.232
  246    HE1  TYR  31           HE1      TYR  31  17.708   4.065   0.529
  247    HE2  TYR  31           HE2      TYR  31  14.217   5.015  -1.731
  248    HH   TYR  31           HH       TYR  31  16.556   5.675  -2.209
  249    H    THR  32           HN       THR  32  11.323   5.985   2.964
  250    HA   THR  32           HA       THR  32   9.835   5.141   5.360
  251    HB   THR  32           HB       THR  32   9.631   7.415   5.471
  252    HG1  THR  32           HG1      THR  32   7.639   7.307   3.513
  253   1HG2  THR  32          HG21      THR  32   9.770   7.473   2.459
  254   2HG2  THR  32          HG22      THR  32  11.018   7.980   3.602
  255   3HG2  THR  32          HG23      THR  32   9.518   8.900   3.466
  256    H    CYS  33           HN       CYS  33   7.337   5.086   4.815
  257    HA   CYS  33           HA       CYS  33   6.992   3.689   2.249
  258   1HB   CYS  33          HB2       CYS  33   6.427   2.733   4.993
  259   2HB   CYS  33          HB1       CYS  33   5.228   2.349   3.762
  260    H    LEU  34           HN       LEU  34   5.743   4.811   1.099
  261    HA   LEU  34           HA       LEU  34   4.060   6.844   1.559
  262   1HB   LEU  34          HB2       LEU  34   3.299   4.630  -0.341
  263   2HB   LEU  34          HB1       LEU  34   2.832   6.315  -0.442
  264    HG   LEU  34           HG       LEU  34   5.658   5.269  -0.767
  265   1HD1  LEU  34          HD11      LEU  34   5.382   5.823  -3.115
  266   2HD1  LEU  34          HD12      LEU  34   3.718   6.330  -2.822
  267   3HD1  LEU  34          HD13      LEU  34   4.174   4.638  -2.618
  268   1HD2  LEU  34          HD21      LEU  34   4.508   8.040  -1.103
  269   2HD2  LEU  34          HD22      LEU  34   6.151   7.554  -1.520
  270   3HD2  LEU  34          HD23      LEU  34   5.619   7.513   0.161
  271    HA   PRO  35           HA       PRO  35   0.750   5.691   4.170
  272   1HB   PRO  35          HB2       PRO  35  -1.291   7.200   3.155
  273   2HB   PRO  35          HB1       PRO  35   0.012   7.841   4.163
  274   1HG   PRO  35          HG2       PRO  35  -0.280   7.888   1.183
  275   2HG   PRO  35          HG1       PRO  35   0.264   9.175   2.275
  276   1HD   PRO  35          HD2       PRO  35   2.000   7.703   0.843
  277   2HD   PRO  35          HD1       PRO  35   2.387   8.275   2.479
  278    H    GLY  36           HN       GLY  36  -0.207   3.785   4.179
  279   1HA   GLY  36          HA2       GLY  36  -2.363   2.721   3.650
  280   2HA   GLY  36          HA1       GLY  36  -2.087   3.189   1.984
  281    H    TYR  37           HN       TYR  37   0.626   2.373   1.779
  282    HA   TYR  37           HA       TYR  37   0.894   0.194   0.560
  283   1HB   TYR  37          HB2       TYR  37   2.545   1.135   2.791
  284   2HB   TYR  37          HB1       TYR  37   2.815  -0.541   2.314
  285    HD1  TYR  37           HD1      TYR  37   3.536   2.862   1.572
  286    HD2  TYR  37           HD2      TYR  37   3.187  -0.984  -0.205
  287    HE1  TYR  37           HE1      TYR  37   4.885   3.623  -0.333
  288    HE2  TYR  37           HE2      TYR  37   4.534  -0.228  -2.120
  289    HH   TYR  37           HH       TYR  37   5.124   1.893  -3.227
  290    H    VAL  38           HN       VAL  38   1.157  -2.011   0.690
  291    HA   VAL  38           HA       VAL  38  -0.820  -3.165   2.535
  292    HB   VAL  38           HB       VAL  38  -0.108  -4.105  -0.242
  293   1HG1  VAL  38          HG11      VAL  38  -2.042  -5.591   0.032
  294   2HG1  VAL  38          HG12      VAL  38  -2.188  -5.065   1.708
  295   3HG1  VAL  38          HG13      VAL  38  -0.753  -5.945   1.181
  296   1HG2  VAL  38          HG21      VAL  38  -2.606  -2.753   0.772
  297   2HG2  VAL  38          HG22      VAL  38  -2.315  -3.316  -0.874
  298   3HG2  VAL  38          HG23      VAL  38  -1.359  -1.988  -0.214
  299    H    ARG  39           HN       ARG  39  -0.532  -5.492   2.943
  300    HA   ARG  39           HA       ARG  39   1.374  -6.297   4.482
  301   1HB   ARG  39          HB2       ARG  39   0.435  -8.061   2.227
  302   2HB   ARG  39          HB1       ARG  39   1.111  -8.608   3.755
  303   1HG   ARG  39          HG2       ARG  39  -1.434  -7.024   3.482
  304   2HG   ARG  39          HG1       ARG  39  -1.349  -8.779   3.646
  305   1HD   ARG  39          HD2       ARG  39  -0.340  -6.762   5.648
  306   2HD   ARG  39          HD1       ARG  39  -1.820  -7.708   5.790
  307    HE   ARG  39           HE       ARG  39   0.206  -9.539   5.461
  308   1HH1  ARG  39          HH11      ARG  39  -0.574  -7.025   7.744
  309   2HH1  ARG  39          HH12      ARG  39   0.200  -7.818   9.075
  310   1HH2  ARG  39          HH21      ARG  39   1.227 -10.588   7.206
  311   2HH2  ARG  39          HH22      ARG  39   1.225  -9.842   8.770
  312    H    SER  40           HN       SER  40   3.490  -6.475   4.610
  313    HA   SER  40           HA       SER  40   5.230  -7.693   2.886
  314   1HB   SER  40          HB2       SER  40   4.665  -5.996   1.213
  315   2HB   SER  40          HB1       SER  40   5.122  -4.719   2.340
  316    HG   SER  40           HG       SER  40   6.890  -6.747   1.448
  317    H    HIS  41           HN       HIS  41   4.518  -5.772   5.514
  318    HA   HIS  41           HA       HIS  41   6.709  -4.509   6.424
  319   1HB   HIS  41          HB2       HIS  41   5.264  -6.430   8.225
  320   2HB   HIS  41          HB1       HIS  41   5.994  -4.888   8.645
  321    HD1  HIS  41           HD1      HIS  41   2.916  -6.372   7.137
  322    HD2  HIS  41           HD2      HIS  41   4.438  -2.627   8.098
  323    HE1  HIS  41           HE1      HIS  41   0.974  -4.786   6.941
  324    HE2  HIS  41           HE2      HIS  41   1.899  -2.541   7.614
  325    H    SER  42           HN       SER  42   8.748  -4.973   6.486
  326    HA   SER  42           HA       SER  42   9.847  -7.219   7.833
  327   1HB   SER  42          HB2       SER  42  10.035  -7.151   4.815
  328   2HB   SER  42          HB1       SER  42  11.044  -8.169   5.843
  329    HG   SER  42           HG       SER  42   8.464  -8.526   5.036
  330    H    THR  43           HN       THR  43   9.807  -4.223   6.819
  331    HA   THR  43           HA       THR  43  11.905  -3.068   5.842
  332    HB   THR  43           HB       THR  43  11.415  -1.243   7.028
  333    HG1  THR  43           HG1      THR  43  12.635  -1.448   8.801
  334   1HG2  THR  43          HG21      THR  43   9.210  -2.247   6.860
  335   2HG2  THR  43          HG22      THR  43   9.356  -1.345   8.369
  336   3HG2  THR  43          HG23      THR  43   9.466  -3.105   8.380
  337    H    GLN  44           HN       GLN  44  14.060  -2.840   5.994
  338    HA   GLN  44           HA       GLN  44  15.509  -3.572   8.371
  339   1HB   GLN  44          HB2       GLN  44  15.019  -5.743   7.110
  340   2HB   GLN  44          HB1       GLN  44  16.125  -5.149   5.879
  341   1HG   GLN  44          HG2       GLN  44  17.888  -4.989   7.611
  342   2HG   GLN  44          HG1       GLN  44  16.770  -5.720   8.761
  343   1HE2  GLN  44          HE21      GLN  44  18.054  -7.512   9.097
  344   2HE2  GLN  44          HE22      GLN  44  18.263  -8.745   7.905
  345    H    THR  45           HN       THR  45  15.107  -1.502   6.006
  346    HA   THR  45           HA       THR  45  16.325   0.122   5.018
  347    HB   THR  45           HB       THR  45  18.467   0.809   6.056
  348    HG1  THR  45           HG1      THR  45  18.657  -0.476   8.234
  349   1HG2  THR  45          HG21      THR  45  16.400   1.710   6.925
  350   2HG2  THR  45          HG22      THR  45  17.516   1.410   8.258
  351   3HG2  THR  45          HG23      THR  45  16.181   0.295   7.956
  352    H    LEU  46           HN       LEU  46  18.674   0.576   4.096
  353    HA   LEU  46           HA       LEU  46  19.374  -1.858   2.588
  354   1HB   LEU  46          HB2       LEU  46  19.096   0.992   1.731
  355   2HB   LEU  46          HB1       LEU  46  20.221  -0.051   0.884
  356    HG   LEU  46           HG       LEU  46  18.441  -1.532   0.209
  357   1HD1  LEU  46          HD11      LEU  46  17.090  -1.400   2.249
  358   2HD1  LEU  46          HD12      LEU  46  16.120  -1.149   0.798
  359   3HD1  LEU  46          HD13      LEU  46  16.582   0.228   1.799
  360   1HD2  LEU  46          HD21      LEU  46  18.858   0.619  -1.044
  361   2HD2  LEU  46          HD22      LEU  46  17.439   1.271  -0.216
  362   3HD2  LEU  46          HD23      LEU  46  17.273  -0.119  -1.289
  363    H    THR  47           HN       THR  47  21.232  -2.640   3.273
  364    HA   THR  47           HA       THR  47  23.408  -0.766   3.969
  365    HB   THR  47           HB       THR  47  23.154  -3.616   4.949
  366    HG1  THR  47           HG1      THR  47  21.798  -1.410   5.751
  367   1HG2  THR  47          HG21      THR  47  24.838  -2.998   6.548
  368   2HG2  THR  47          HG22      THR  47  24.783  -1.314   6.027
  369   3HG2  THR  47          HG23      THR  47  25.412  -2.553   4.941
  370    H    CYS  48           HN       CYS  48  25.546  -1.331   3.235
  371    HA   CYS  48           HA       CYS  48  25.441  -2.844   0.789
  372   1HB   CYS  48          HB2       CYS  48  26.756  -0.752   0.852
  373   2HB   CYS  48          HB1       CYS  48  27.778  -1.431   2.105
  374    H    ASN  49           HN       ASN  49  25.636  -4.938   0.800
  375    HA   ASN  49           HA       ASN  49  27.058  -6.281   2.963
  376   1HB   ASN  49          HB2       ASN  49  26.098  -8.356   1.734
  377   2HB   ASN  49          HB1       ASN  49  24.970  -7.303   2.587
  378   1HD2  ASN  49          HD21      ASN  49  23.728  -5.817   1.366
  379   2HD2  ASN  49          HD22      ASN  49  23.372  -6.129  -0.296
  380    H    SER  50           HN       SER  50  28.232  -8.412   2.041
  381    HA   SER  50           HA       SER  50  30.264  -7.374   0.225
  382   1HB   SER  50          HB2       SER  50  31.055  -8.498   2.237
  383   2HB   SER  50          HB1       SER  50  30.144  -9.952   1.821
  384    HG   SER  50           HG       SER  50  31.805 -10.539   0.699
  385    H    ASP  51           HN       ASP  51  28.297  -7.443  -1.287
  386    HA   ASP  51           HA       ASP  51  28.563  -9.732  -3.112
  387   1HB   ASP  51          HB2       ASP  51  25.883  -8.716  -2.188
  388   2HB   ASP  51          HB1       ASP  51  26.198 -10.048  -3.294
  389    H    GLY  52           HN       GLY  52  28.694  -6.533  -2.596
  390   1HA   GLY  52          HA2       GLY  52  28.519  -4.669  -3.921
  391   2HA   GLY  52          HA1       GLY  52  28.671  -5.783  -5.273
  392    H    GLU  53           HN       GLU  53  26.139  -6.459  -3.242
  393    HA   GLU  53           HA       GLU  53  24.193  -4.949  -4.868
  394   1HB   GLU  53          HB2       GLU  53  22.748  -6.800  -4.954
  395   2HB   GLU  53          HB1       GLU  53  24.340  -7.485  -5.247
  396   1HG   GLU  53          HG2       GLU  53  24.462  -8.168  -2.890
  397   2HG   GLU  53          HG1       GLU  53  22.838  -7.529  -2.640
  398    H    TRP  54           HN       TRP  54  22.108  -4.548  -3.761
  399    HA   TRP  54           HA       TRP  54  22.577  -3.950  -0.961
  400   1HB   TRP  54          HB2       TRP  54  20.407  -3.096  -2.889
  401   2HB   TRP  54          HB1       TRP  54  20.478  -2.607  -1.203
  402    HD1  TRP  54           HD1      TRP  54  21.737  -1.660  -4.572
  403    HE1  TRP  54           HE1      TRP  54  23.408   0.286  -4.380
  404    HE3  TRP  54           HE3      TRP  54  22.457  -1.718   0.477
  405    HZ2  TRP  54           HZ2      TRP  54  24.854   1.620  -2.349
  406    HZ3  TRP  54           HZ3      TRP  54  24.001  -0.077   1.473
  407    HH2  TRP  54           HH2      TRP  54  25.174   1.555   0.087
  408    H    VAL  55           HN       VAL  55  21.999  -5.347   0.467
  409    HA   VAL  55           HA       VAL  55  20.002  -7.426  -0.124
  410    HB   VAL  55           HB       VAL  55  22.448  -7.248   1.575
  411   1HG1  VAL  55          HG11      VAL  55  21.766  -9.033   3.028
  412   2HG1  VAL  55          HG12      VAL  55  20.183  -9.110   2.252
  413   3HG1  VAL  55          HG13      VAL  55  20.642  -7.685   3.184
  414   1HG2  VAL  55          HG21      VAL  55  22.353  -8.428  -0.623
  415   2HG2  VAL  55          HG22      VAL  55  21.247  -9.587   0.115
  416   3HG2  VAL  55          HG23      VAL  55  22.897  -9.424   0.728
  417    H    TYR  56           HN       TYR  56  18.286  -7.768   1.245
  418    HA   TYR  56           HA       TYR  56  17.899  -6.927   3.743
  419   1HB   TYR  56          HB2       TYR  56  16.638  -4.784   3.638
  420   2HB   TYR  56          HB1       TYR  56  18.295  -4.601   3.077
  421    HD1  TYR  56           HD1      TYR  56  18.751  -4.383   0.633
  422    HD2  TYR  56           HD2      TYR  56  14.794  -4.363   2.190
  423    HE1  TYR  56           HE1      TYR  56  17.934  -3.413  -1.473
  424    HE2  TYR  56           HE2      TYR  56  13.964  -3.394   0.088
  425    HH   TYR  56           HH       TYR  56  14.840  -2.079  -1.806
  426    H    ASN  57           HN       ASN  57  15.466  -6.637   4.378
  427    HA   ASN  57           HA       ASN  57  13.963  -8.505   2.706
  428   1HB   ASN  57          HB2       ASN  57  13.417  -7.444   5.489
  429   2HB   ASN  57          HB1       ASN  57  12.395  -8.600   4.641
  430   1HD2  ASN  57          HD21      ASN  57  15.393  -8.094   6.288
  431   2HD2  ASN  57          HD22      ASN  57  15.838  -9.758   6.424
  432    H    THR  58           HN       THR  58  11.499  -8.034   2.653
  433    HA   THR  58           HA       THR  58  11.171  -5.534   1.307
  434    HB   THR  58           HB       THR  58   8.621  -6.523   1.729
  435    HG1  THR  58           HG1      THR  58   8.843  -8.545   2.281
  436   1HG2  THR  58          HG21      THR  58   9.490  -5.758  -0.405
  437   2HG2  THR  58          HG22      THR  58   8.806  -7.373  -0.583
  438   3HG2  THR  58          HG23      THR  58  10.555  -7.160  -0.501
  439    H    PHE  59           HN       PHE  59   8.588  -4.795   2.120
  440    HA   PHE  59           HA       PHE  59   8.257  -4.559   4.873
  441   1HB   PHE  59          HB2       PHE  59   8.841  -2.045   5.022
  442   2HB   PHE  59          HB1       PHE  59  10.150  -3.221   5.125
  443    HD1  PHE  59           HD1      PHE  59  11.996  -3.006   3.786
  444    HD2  PHE  59           HD2      PHE  59   8.388  -1.051   2.664
  445    HE1  PHE  59           HE1      PHE  59  13.186  -1.875   1.954
  446    HE2  PHE  59           HE2      PHE  59   9.570   0.082   0.828
  447    HZ   PHE  59           HZ       PHE  59  11.971  -0.329   0.471
  448    H    CYS  60           HN       CYS  60   7.779  -3.256   1.692
  449    HA   CYS  60           HA       CYS  60   4.957  -2.891   2.224
  450   1HB   CYS  60          HB2       CYS  60   6.654  -0.577   1.257
  451   2HB   CYS  60          HB1       CYS  60   4.906  -0.572   1.451
  452    H    ILE  61           HN       ILE  61   3.695  -2.729   0.239
  453    HA   ILE  61           HA       ILE  61   5.193  -3.121  -2.238
  454    HB   ILE  61           HB       ILE  61   3.923  -5.062  -2.919
  455   1HG1  ILE  61          HG12      ILE  61   2.694  -4.971  -0.154
  456   2HG1  ILE  61          HG11      ILE  61   1.856  -4.589  -1.655
  457   1HG2  ILE  61          HG21      ILE  61   5.256  -5.329  -0.241
  458   2HG2  ILE  61          HG22      ILE  61   5.994  -5.520  -1.833
  459   3HG2  ILE  61          HG23      ILE  61   4.810  -6.697  -1.259
  460   1HD1  ILE  61          HD11      ILE  61   1.346  -6.835  -0.831
  461   2HD1  ILE  61          HD12      ILE  61   3.050  -7.263  -0.974
  462   3HD1  ILE  61          HD13      ILE  61   2.117  -6.864  -2.416
  463    H    TYR  62           HN       TYR  62   2.011  -2.736  -0.763
  464    HA   TYR  62           HA       TYR  62   0.189  -1.431  -1.417
  465   1HB   TYR  62          HB2       TYR  62   2.380  -0.117  -2.538
  466   2HB   TYR  62          HB1       TYR  62   1.242  -0.316  -3.870
  467    HD1  TYR  62           HD1      TYR  62  -1.330   0.189  -2.971
  468    HD2  TYR  62           HD2      TYR  62   2.276   1.873  -1.475
  469    HE1  TYR  62           HE1      TYR  62  -2.592   2.123  -2.118
  470    HE2  TYR  62           HE2      TYR  62   1.035   3.807  -0.619
  471    HH   TYR  62           HH       TYR  62  -0.919   4.851  -0.579
  472    H    LYS  63           HN       LYS  63  -1.486  -2.330  -2.145
  473    HA   LYS  63           HA       LYS  63  -1.888  -3.137  -4.820
  474   1HB   LYS  63          HB2       LYS  63  -2.548  -5.555  -4.045
  475   2HB   LYS  63          HB1       LYS  63  -0.891  -5.200  -4.505
  476   1HG   LYS  63          HG2       LYS  63  -0.099  -5.540  -2.430
  477   2HG   LYS  63          HG1       LYS  63  -1.519  -4.841  -1.653
  478   1HD   LYS  63          HD2       LYS  63  -2.697  -6.827  -1.724
  479   2HD   LYS  63          HD1       LYS  63  -1.748  -7.465  -3.062
  480   1HE   LYS  63          HE2       LYS  63   0.114  -7.835  -1.620
  481   2HE   LYS  63          HE1       LYS  63  -0.683  -7.037  -0.271
  482   1HZ   LYS  63          HZ1       LYS  63  -2.367  -8.796  -0.316
  483   2HZ   LYS  63          HZ2       LYS  63  -0.820  -9.424  -0.045
  484   3HZ   LYS  63          HZ3       LYS  63  -1.538  -9.572  -1.569
  485    H    ARG  64           HN       ARG  64  -3.886  -2.335  -5.078
  486    HA   ARG  64           HA       ARG  64  -5.682  -2.284  -2.770
  487   1HB   ARG  64          HB2       ARG  64  -6.990  -0.675  -4.242
  488   2HB   ARG  64          HB1       ARG  64  -5.424  -0.117  -3.673
  489   1HG   ARG  64          HG2       ARG  64  -5.631  -1.434  -6.339
  490   2HG   ARG  64          HG1       ARG  64  -6.135   0.246  -6.148
  491   1HD   ARG  64          HD2       ARG  64  -3.933   0.808  -5.251
  492   2HD   ARG  64          HD1       ARG  64  -3.429  -0.873  -5.419
  493    HE   ARG  64           HE       ARG  64  -4.336   0.165  -7.897
  494   1HH1  ARG  64          HH11      ARG  64  -1.638   0.259  -5.694
  495   2HH1  ARG  64          HH12      ARG  64  -0.474   0.603  -6.929
  496   1HH2  ARG  64          HH21      ARG  64  -2.810   0.617  -9.532
  497   2HH2  ARG  64          HH22      ARG  64  -1.141   0.804  -9.111
  498    H    CYS  65           HN       CYS  65  -8.044  -1.895  -4.434
  499    HA   CYS  65           HA       CYS  65  -8.350  -4.565  -5.620
  500   1HB   CYS  65          HB2       CYS  65 -10.830  -3.892  -4.526
  501   2HB   CYS  65          HB1       CYS  65  -9.726  -5.122  -3.930
  502    H    ARG  66           HN       ARG  66 -10.140  -4.713  -7.148
  503    HA   ARG  66           HA       ARG  66 -10.249  -2.559  -8.922
  504   1HB   ARG  66          HB2       ARG  66 -10.759  -4.769  -9.724
  505   2HB   ARG  66          HB1       ARG  66 -12.088  -4.935  -8.585
  506   1HG   ARG  66          HG2       ARG  66 -12.847  -4.530 -10.886
  507   2HG   ARG  66          HG1       ARG  66 -13.370  -3.271  -9.765
  508   1HD   ARG  66          HD2       ARG  66 -11.686  -1.769 -10.550
  509   2HD   ARG  66          HD1       ARG  66 -10.930  -3.037 -11.516
  510    HE   ARG  66           HE       ARG  66 -13.527  -2.820 -12.428
  511   1HH1  ARG  66          HH11      ARG  66 -10.736  -0.747 -12.178
  512   2HH1  ARG  66          HH12      ARG  66 -11.148   0.191 -13.574
  513   1HH2  ARG  66          HH21      ARG  66 -14.076  -1.590 -14.266
  514   2HH2  ARG  66          HH22      ARG  66 -13.046  -0.289 -14.762
  515    H    HIS  67           HN       HIS  67 -11.817  -0.986  -9.294
  516    HA   HIS  67           HA       HIS  67 -13.084   0.064  -6.994
  517   1HB   HIS  67          HB2       HIS  67 -12.280   1.368  -9.011
  518   2HB   HIS  67          HB1       HIS  67 -13.696   0.771  -9.870
  519    HD1  HIS  67           HD1      HIS  67 -15.918   1.903  -9.398
  520    HD2  HIS  67           HD2      HIS  67 -12.848   3.213  -6.927
  521    HE1  HIS  67           HE1      HIS  67 -16.833   3.916  -8.200
  522    HE2  HIS  67           HE2      HIS  67 -14.917   4.760  -6.798
  523    HA   PRO  68           HA       PRO  68 -16.608  -2.773  -7.032
  524   1HB   PRO  68          HB2       PRO  68 -18.054  -1.138  -5.282
  525   2HB   PRO  68          HB1       PRO  68 -17.018  -2.487  -4.817
  526   1HG   PRO  68          HG2       PRO  68 -16.430   0.436  -4.847
  527   2HG   PRO  68          HG1       PRO  68 -15.881  -0.812  -3.711
  528   1HD   PRO  68          HD2       PRO  68 -14.242   0.175  -5.580
  529   2HD   PRO  68          HD1       PRO  68 -14.200  -1.546  -5.141
  530    H    GLY  69           HN       GLY  69 -16.581   0.636  -7.730
  531   1HA   GLY  69          HA2       GLY  69 -17.716   1.609  -9.549
  532   2HA   GLY  69          HA1       GLY  69 -18.791   0.220  -9.597
  533    H    GLU  70           HN       GLU  70 -19.488   2.972  -9.662
  534    HA   GLU  70           HA       GLU  70 -20.358   4.318  -7.549
  535   1HB   GLU  70          HB2       GLU  70 -20.924   4.893  -9.873
  536   2HB   GLU  70          HB1       GLU  70 -22.139   3.624  -9.886
  537   1HG   GLU  70          HG2       GLU  70 -23.178   5.775  -9.554
  538   2HG   GLU  70          HG1       GLU  70 -23.359   4.784  -8.107
  539    H    LEU  71           HN       LEU  71 -21.815   4.348  -6.020
  540    HA   LEU  71           HA       LEU  71 -23.261   1.853  -5.441
  541   1HB   LEU  71          HB2       LEU  71 -21.890   2.428  -3.607
  542   2HB   LEU  71          HB1       LEU  71 -22.279   4.132  -3.738
  543    HG   LEU  71           HG       LEU  71 -24.595   3.571  -2.992
  544   1HD1  LEU  71          HD11      LEU  71 -24.723   1.246  -3.534
  545   2HD1  LEU  71          HD12      LEU  71 -24.893   1.425  -1.786
  546   3HD1  LEU  71          HD13      LEU  71 -23.360   0.882  -2.473
  547   1HD2  LEU  71          HD21      LEU  71 -22.901   4.489  -1.481
  548   2HD2  LEU  71          HD22      LEU  71 -22.407   2.848  -1.064
  549   3HD2  LEU  71          HD23      LEU  71 -24.027   3.415  -0.652
  550    H    ARG  72           HN       ARG  72 -25.210   1.961  -6.423
  551    HA   ARG  72           HA       ARG  72 -26.591   4.394  -6.901
  552   1HB   ARG  72          HB2       ARG  72 -26.978   2.414  -8.310
  553   2HB   ARG  72          HB1       ARG  72 -27.625   1.543  -6.927
  554   1HG   ARG  72          HG2       ARG  72 -29.502   3.071  -6.802
  555   2HG   ARG  72          HG1       ARG  72 -28.845   4.013  -8.143
  556   1HD   ARG  72          HD2       ARG  72 -30.646   2.463  -8.832
  557   2HD   ARG  72          HD1       ARG  72 -29.114   2.156  -9.648
  558    HE   ARG  72           HE       ARG  72 -29.059   0.476  -7.514
  559   1HH1  ARG  72          HH11      ARG  72 -31.328   1.038 -10.099
  560   2HH1  ARG  72          HH12      ARG  72 -31.894  -0.598 -10.131
  561   1HH2  ARG  72          HH21      ARG  72 -29.798  -1.682  -7.551
  562   2HH2  ARG  72          HH22      ARG  72 -31.025  -2.144  -8.683
  563    H    ASN  73           HN       ASN  73 -27.828   5.552  -5.844
  564    HA   ASN  73           HA       ASN  73 -29.136   6.425  -4.254
  565   1HB   ASN  73          HB2       ASN  73 -29.441   3.591  -3.212
  566   2HB   ASN  73          HB1       ASN  73 -30.407   4.973  -2.706
  567   1HD2  ASN  73          HD21      ASN  73 -30.532   6.090  -5.391
  568   2HD2  ASN  73          HD22      ASN  73 -31.647   5.106  -6.269
  569    H    GLY  74           HN       GLY  74 -26.137   5.583  -3.975
  570   1HA   GLY  74          HA2       GLY  74 -26.004   6.655  -1.269
  571   2HA   GLY  74          HA1       GLY  74 -25.276   5.084  -1.547
  572    H    GLN  75           HN       GLN  75 -23.378   6.204  -0.737
  573    HA   GLN  75           HA       GLN  75 -21.943   7.504  -2.939
  574   1HB   GLN  75          HB2       GLN  75 -20.936   9.133  -1.480
  575   2HB   GLN  75          HB1       GLN  75 -22.684   9.246  -1.331
  576   1HG   GLN  75          HG2       GLN  75 -22.644   8.097   0.765
  577   2HG   GLN  75          HG1       GLN  75 -20.925   7.747   0.593
  578   1HE2  GLN  75          HE21      GLN  75 -22.368  10.805  -0.279
  579   2HE2  GLN  75          HE22      GLN  75 -21.634  11.732   0.980
  580    H    VAL  76           HN       VAL  76 -19.868   6.914  -3.198
  581    HA   VAL  76           HA       VAL  76 -18.876   4.795  -1.413
  582    HB   VAL  76           HB       VAL  76 -18.113   5.443  -4.266
  583   1HG1  VAL  76          HG11      VAL  76 -16.692   3.433  -4.147
  584   2HG1  VAL  76          HG12      VAL  76 -17.033   3.316  -2.420
  585   3HG1  VAL  76          HG13      VAL  76 -16.150   4.706  -3.052
  586   1HG2  VAL  76          HG21      VAL  76 -19.508   3.050  -3.076
  587   2HG2  VAL  76          HG22      VAL  76 -19.065   3.251  -4.772
  588   3HG2  VAL  76          HG23      VAL  76 -20.265   4.318  -4.041
  589    H    GLU  77           HN       GLU  77 -17.639   5.709   0.148
  590    HA   GLU  77           HA       GLU  77 -16.072   8.062  -0.400
  591   1HB   GLU  77          HB2       GLU  77 -17.157   7.815   1.769
  592   2HB   GLU  77          HB1       GLU  77 -16.268   6.327   2.067
  593   1HG   GLU  77          HG2       GLU  77 -15.236   8.085   3.300
  594   2HG   GLU  77          HG1       GLU  77 -14.161   7.627   1.980
  595    H    ILE  78           HN       ILE  78 -14.350   7.741  -1.662
  596    HA   ILE  78           HA       ILE  78 -12.543   5.510  -1.014
  597    HB   ILE  78           HB       ILE  78 -12.753   7.086  -3.585
  598   1HG1  ILE  78          HG12      ILE  78 -14.643   5.530  -3.182
  599   2HG1  ILE  78          HG11      ILE  78 -13.654   5.043  -4.555
  600   1HG2  ILE  78          HG21      ILE  78 -11.013   4.728  -2.874
  601   2HG2  ILE  78          HG22      ILE  78 -10.469   6.382  -3.156
  602   3HG2  ILE  78          HG23      ILE  78 -11.163   5.443  -4.479
  603   1HD1  ILE  78          HD11      ILE  78 -12.574   3.345  -3.202
  604   2HD1  ILE  78          HD12      ILE  78 -14.325   3.141  -3.181
  605   3HD1  ILE  78          HD13      ILE  78 -13.504   3.858  -1.794
  606    H    LYS  79           HN       LYS  79 -11.429   6.516   0.633
  607    HA   LYS  79           HA       LYS  79  -9.867   8.898  -0.108
  608   1HB   LYS  79          HB2       LYS  79  -9.769   9.485   2.219
  609   2HB   LYS  79          HB1       LYS  79 -11.449   9.197   1.799
  610   1HG   LYS  79          HG2       LYS  79  -9.671   7.183   3.161
  611   2HG   LYS  79          HG1       LYS  79 -10.773   8.271   4.002
  612   1HD   LYS  79          HD2       LYS  79 -12.655   7.272   2.800
  613   2HD   LYS  79          HD1       LYS  79 -11.540   6.190   1.957
  614   1HE   LYS  79          HE2       LYS  79 -12.286   6.231   4.861
  615   2HE   LYS  79          HE1       LYS  79 -12.380   4.907   3.706
  616   1HZ   LYS  79          HZ1       LYS  79 -10.000   4.754   3.673
  617   2HZ   LYS  79          HZ2       LYS  79 -10.541   4.645   5.271
  618   3HZ   LYS  79          HZ3       LYS  79  -9.853   6.084   4.707
  619    H    THR  80           HN       THR  80  -9.442   5.856  -0.309
  620    HA   THR  80           HA       THR  80  -6.660   5.967   0.547
  621    HB   THR  80           HB       THR  80  -6.773   3.733   1.581
  622    HG1  THR  80           HG1      THR  80  -9.600   4.053   1.367
  623   1HG2  THR  80          HG21      THR  80  -6.841   5.553   3.109
  624   2HG2  THR  80          HG22      THR  80  -8.088   4.420   3.632
  625   3HG2  THR  80          HG23      THR  80  -8.537   5.882   2.749
  626    H    ASP  81           HN       ASP  81  -8.655   5.664  -1.855
  627    HA   ASP  81           HA       ASP  81  -8.570   4.701  -3.949
  628   1HB   ASP  81          HB2       ASP  81  -5.805   4.026  -2.981
  629   2HB   ASP  81          HB1       ASP  81  -6.361   3.735  -4.627
  630    H    LEU  82           HN       LEU  82  -8.925   3.109  -1.282
  631    HA   LEU  82           HA       LEU  82  -9.670   1.029  -0.705
  632   1HB   LEU  82          HB2       LEU  82  -9.338   0.316  -3.603
  633   2HB   LEU  82          HB1       LEU  82 -10.386  -0.467  -2.435
  634    HG   LEU  82           HG       LEU  82 -11.151   2.257  -2.561
  635   1HD1  LEU  82          HD11      LEU  82 -10.770   0.986  -5.267
  636   2HD1  LEU  82          HD12      LEU  82 -10.060   2.492  -4.682
  637   3HD1  LEU  82          HD13      LEU  82 -11.799   2.385  -4.959
  638   1HD2  LEU  82          HD21      LEU  82 -13.244   1.299  -3.359
  639   2HD2  LEU  82          HD22      LEU  82 -12.575   0.384  -2.008
  640   3HD2  LEU  82          HD23      LEU  82 -12.426  -0.235  -3.652
  641    H    SER  83           HN       SER  83  -7.144   1.500  -0.145
  642    HA   SER  83           HA       SER  83  -5.399  -0.495  -1.315
  643   1HB   SER  83          HB2       SER  83  -3.709   0.406   0.253
  644   2HB   SER  83          HB1       SER  83  -4.458   1.686  -0.702
  645    HG   SER  83           HG       SER  83  -5.689   1.103   1.706
  646    H    PHE  84           HN       PHE  84  -5.096  -2.482  -0.537
  647    HA   PHE  84           HA       PHE  84  -6.649  -3.834   1.194
  648   1HB   PHE  84          HB2       PHE  84  -4.882  -4.848  -0.194
  649   2HB   PHE  84          HB1       PHE  84  -3.661  -4.206   0.894
  650    HD1  PHE  84           HD1      PHE  84  -3.780  -4.983   3.358
  651    HD2  PHE  84           HD2      PHE  84  -5.717  -6.970   0.132
  652    HE1  PHE  84           HE1      PHE  84  -3.867  -7.048   4.688
  653    HE2  PHE  84           HE2      PHE  84  -5.814  -9.037   1.461
  654    HZ   PHE  84           HZ       PHE  84  -4.889  -9.080   3.742
  655    H    GLY  85           HN       GLY  85  -6.836  -4.191   3.383
  656   1HA   GLY  85          HA2       GLY  85  -6.288  -4.030   5.649
  657   2HA   GLY  85          HA1       GLY  85  -4.901  -3.039   5.220
  658    H    SER  86           HN       SER  86  -8.388  -2.684   4.575
  659    HA   SER  86           HA       SER  86  -8.777  -0.565   6.409
  660   1HB   SER  86          HB2       SER  86  -7.308   0.517   4.619
  661   2HB   SER  86          HB1       SER  86  -8.701   0.363   3.548
  662    HG   SER  86           HG       SER  86  -8.609   1.772   6.008
  663    H    GLN  87           HN       GLN  87 -10.518   0.731   4.224
  664    HA   GLN  87           HA       GLN  87 -12.456  -1.035   3.335
  665   1HB   GLN  87          HB2       GLN  87 -14.258  -0.418   5.102
  666   2HB   GLN  87          HB1       GLN  87 -13.125  -1.717   5.446
  667   1HG   GLN  87          HG2       GLN  87 -13.396  -0.349   7.398
  668   2HG   GLN  87          HG1       GLN  87 -11.764  -0.150   6.764
  669   1HE2  GLN  87          HE21      GLN  87 -14.627   1.332   5.399
  670   2HE2  GLN  87          HE22      GLN  87 -14.198   2.959   5.789
  671    H    ILE  88           HN       ILE  88 -14.411  -0.019   2.589
  672    HA   ILE  88           HA       ILE  88 -14.194   2.913   2.391
  673    HB   ILE  88           HB       ILE  88 -15.244   2.738   0.145
  674   1HG1  ILE  88          HG12      ILE  88 -14.617  -0.215   0.368
  675   2HG1  ILE  88          HG11      ILE  88 -16.234   0.463   0.519
  676   1HG2  ILE  88          HG21      ILE  88 -12.844   3.029   0.368
  677   2HG2  ILE  88          HG22      ILE  88 -13.212   2.005  -1.019
  678   3HG2  ILE  88          HG23      ILE  88 -12.624   1.283   0.479
  679   1HD1  ILE  88          HD11      ILE  88 -15.883  -0.432  -1.695
  680   2HD1  ILE  88          HD12      ILE  88 -14.478   0.610  -1.914
  681   3HD1  ILE  88          HD13      ILE  88 -16.085   1.319  -1.762
  682    H    GLU  89           HN       GLU  89 -15.714   3.616   3.779
  683    HA   GLU  89           HA       GLU  89 -18.086   2.252   4.418
  684   1HB   GLU  89          HB2       GLU  89 -16.888   4.134   5.704
  685   2HB   GLU  89          HB1       GLU  89 -17.774   5.232   4.653
  686   1HG   GLU  89          HG2       GLU  89 -19.883   4.268   5.434
  687   2HG   GLU  89          HG1       GLU  89 -18.984   3.198   6.510
  688    H    PHE  90           HN       PHE  90 -20.294   3.090   4.085
  689    HA   PHE  90           HA       PHE  90 -20.691   4.409   1.491
  690   1HB   PHE  90          HB2       PHE  90 -22.295   2.001   2.356
  691   2HB   PHE  90          HB1       PHE  90 -22.319   2.802   0.790
  692    HD1  PHE  90           HD1      PHE  90 -20.724   0.324   2.859
  693    HD2  PHE  90           HD2      PHE  90 -20.369   2.582  -0.735
  694    HE1  PHE  90           HE1      PHE  90 -19.038  -1.265   2.029
  695    HE2  PHE  90           HE2      PHE  90 -18.683   0.996  -1.569
  696    HZ   PHE  90           HZ       PHE  90 -18.016  -0.931  -0.188
  697    H    SER  91           HN       SER  91 -22.641   5.587   1.320
  698    HA   SER  91           HA       SER  91 -24.214   5.772   3.800
  699   1HB   SER  91          HB2       SER  91 -23.306   8.115   2.116
  700   2HB   SER  91          HB1       SER  91 -24.339   8.207   3.542
  701    HG   SER  91           HG       SER  91 -22.584   8.255   4.671
  702    H    CYS  92           HN       CYS  92 -26.257   5.323   3.459
  703    HA   CYS  92           HA       CYS  92 -27.320   5.391   0.756
  704   1HB   CYS  92          HB2       CYS  92 -27.788   3.577   2.575
  705   2HB   CYS  92          HB1       CYS  92 -28.979   4.730   3.172
  706    H    SER  93           HN       SER  93 -28.285   7.105  -0.075
  707    HA   SER  93           HA       SER  93 -28.485   9.562   1.120
  708   1HB   SER  93          HB2       SER  93 -30.043   8.379  -1.168
  709   2HB   SER  93          HB1       SER  93 -30.219  10.066  -0.677
  710    HG   SER  93           HG       SER  93 -27.620   9.487  -0.881
  711    H    GLU  94           HN       GLU  94 -30.514  10.863   1.367
  712    HA   GLU  94           HA       GLU  94 -31.905  10.167   3.611
  713   1HB   GLU  94          HB2       GLU  94 -31.976  12.421   2.949
  714   2HB   GLU  94          HB1       GLU  94 -32.560  12.025   1.340
  715   1HG   GLU  94          HG2       GLU  94 -34.712  11.386   2.267
  716   2HG   GLU  94          HG1       GLU  94 -34.132  11.760   3.889
  717    H    GLY  95           HN       GLY  95 -34.021   9.458   4.028
  718   1HA   GLY  95          HA2       GLY  95 -35.964   8.257   3.691
  719   2HA   GLY  95          HA1       GLY  95 -35.690   8.386   1.961
  720    H    PHE  96           HN       PHE  96 -33.013   7.133   2.082
  721    HA   PHE  96           HA       PHE  96 -33.950   4.370   2.495
  722   1HB   PHE  96          HB2       PHE  96 -31.627   4.575   0.779
  723   2HB   PHE  96          HB1       PHE  96 -33.167   3.788   0.469
  724    HD1  PHE  96           HD1      PHE  96 -35.130   5.376  -0.198
  725    HD2  PHE  96           HD2      PHE  96 -31.003   6.385  -0.468
  726    HE1  PHE  96           HE1      PHE  96 -35.670   7.108  -1.859
  727    HE2  PHE  96           HE2      PHE  96 -31.537   8.124  -2.132
  728    HZ   PHE  96           HZ       PHE  96 -33.872   8.487  -2.828
  729    H    PHE  97           HN       PHE  97 -32.717   3.028   3.714
  730    HA   PHE  97           HA       PHE  97 -30.381   4.270   4.984
  731   1HB   PHE  97          HB2       PHE  97 -30.793   2.955   6.917
  732   2HB   PHE  97          HB1       PHE  97 -32.344   3.606   6.418
  733    HD1  PHE  97           HD1      PHE  97 -30.760   0.782   7.602
  734    HD2  PHE  97           HD2      PHE  97 -33.642   1.981   4.709
  735    HE1  PHE  97           HE1      PHE  97 -31.737  -1.476   7.643
  736    HE2  PHE  97           HE2      PHE  97 -34.620  -0.277   4.739
  737    HZ   PHE  97           HZ       PHE  97 -33.669  -2.008   6.212
  738    H    LEU  98           HN       LEU  98 -28.754   2.714   5.793
  739    HA   LEU  98           HA       LEU  98 -27.761   1.193   3.547
  740   1HB   LEU  98          HB2       LEU  98 -26.435   2.741   5.116
  741   2HB   LEU  98          HB1       LEU  98 -26.494   1.426   6.269
  742    HG   LEU  98           HG       LEU  98 -24.368   1.513   5.032
  743   1HD1  LEU  98          HD11      LEU  98 -25.340  -0.626   5.899
  744   2HD1  LEU  98          HD12      LEU  98 -24.192  -0.808   4.571
  745   3HD1  LEU  98          HD13      LEU  98 -25.923  -0.942   4.265
  746   1HD2  LEU  98          HD21      LEU  98 -24.248   1.014   2.691
  747   2HD2  LEU  98          HD22      LEU  98 -25.312   2.402   2.923
  748   3HD2  LEU  98          HD23      LEU  98 -25.999   0.809   2.601
  749    H    ILE  99           HN       ILE  99 -27.645  -0.972   3.373
  750    HA   ILE  99           HA       ILE  99 -27.966  -2.741   5.666
  751    HB   ILE  99           HB       ILE  99 -29.674  -3.528   3.408
  752   1HG1  ILE  99          HG12      ILE  99 -30.859  -1.470   5.221
  753   2HG1  ILE  99          HG11      ILE  99 -29.970  -0.950   3.795
  754   1HG2  ILE  99          HG21      ILE  99 -31.168  -4.209   5.216
  755   2HG2  ILE  99          HG22      ILE  99 -30.111  -3.419   6.385
  756   3HG2  ILE  99          HG23      ILE  99 -29.526  -4.805   5.462
  757   1HD1  ILE  99          HD11      ILE  99 -31.475  -2.309   2.400
  758   2HD1  ILE  99          HD12      ILE  99 -32.314  -1.043   3.297
  759   3HD1  ILE  99          HD13      ILE  99 -32.402  -2.718   3.844
  760    H    GLY 100           HN       GLY 100 -26.505  -4.208   5.436
  761   1HA   GLY 100          HA2       GLY 100 -25.989  -6.132   3.735
  762   2HA   GLY 100          HA1       GLY 100 -25.343  -4.772   2.814
  763    H    SER 101           HN       SER 101 -23.891  -3.338   4.083
  764    HA   SER 101           HA       SER 101 -22.413  -4.112   6.305
  765   1HB   SER 101          HB2       SER 101 -21.331  -5.089   3.663
  766   2HB   SER 101          HB1       SER 101 -20.242  -4.669   4.984
  767    HG   SER 101           HG       SER 101 -20.929  -6.352   6.118
  768    H    THR 102           HN       THR 102 -22.230  -1.974   6.853
  769    HA   THR 102           HA       THR 102 -21.969   0.099   4.967
  770    HB   THR 102           HB       THR 102 -21.640   1.595   6.813
  771    HG1  THR 102           HG1      THR 102 -20.964  -0.764   8.253
  772   1HG2  THR 102          HG21      THR 102 -23.476   0.966   8.333
  773   2HG2  THR 102          HG22      THR 102 -23.462  -0.663   7.654
  774   3HG2  THR 102          HG23      THR 102 -23.901   0.712   6.640
  775    H    THR 103           HN       THR 103 -19.766  -2.138   6.102
  776    HA   THR 103           HA       THR 103 -17.536  -0.433   5.235
  777    HB   THR 103           HB       THR 103 -16.073  -1.812   6.638
  778    HG1  THR 103           HG1      THR 103 -18.055  -3.465   6.727
  779   1HG2  THR 103          HG21      THR 103 -16.931   0.301   7.486
  780   2HG2  THR 103          HG22      THR 103 -16.768  -0.873   8.793
  781   3HG2  THR 103          HG23      THR 103 -18.359  -0.522   8.115
  782    H    SER 104           HN       SER 104 -15.811  -1.504   4.104
  783    HA   SER 104           HA       SER 104 -16.309  -4.176   3.090
  784   1HB   SER 104          HB2       SER 104 -16.121  -1.717   1.328
  785   2HB   SER 104          HB1       SER 104 -15.853  -3.354   0.729
  786    HG   SER 104           HG       SER 104 -18.031  -3.745   1.754
  787    H    ARG 105           HN       ARG 105 -14.440  -5.188   3.447
  788    HA   ARG 105           HA       ARG 105 -11.972  -3.624   3.667
  789   1HB   ARG 105          HB2       ARG 105 -12.498  -6.517   4.378
  790   2HB   ARG 105          HB1       ARG 105 -11.031  -5.615   4.731
  791   1HG   ARG 105          HG2       ARG 105 -12.348  -4.090   6.154
  792   2HG   ARG 105          HG1       ARG 105 -13.774  -5.084   5.851
  793   1HD   ARG 105          HD2       ARG 105 -12.672  -7.004   6.862
  794   2HD   ARG 105          HD1       ARG 105 -11.217  -6.044   7.129
  795    HE   ARG 105           HE       ARG 105 -13.433  -4.797   8.353
  796   1HH1  ARG 105          HH11      ARG 105 -11.318  -7.544   8.708
  797   2HH1  ARG 105          HH12      ARG 105 -11.493  -7.619  10.429
  798   1HH2  ARG 105          HH21      ARG 105 -13.669  -4.888  10.619
  799   2HH2  ARG 105          HH22      ARG 105 -12.829  -6.109  11.515
  800    H    CYS 106           HN       CYS 106 -10.082  -4.150   2.575
  801    HA   CYS 106           HA       CYS 106 -10.539  -5.471   0.018
  802   1HB   CYS 106          HB2       CYS 106  -9.513  -3.125   0.232
  803   2HB   CYS 106          HB1       CYS 106  -8.067  -3.935   0.827
  804    H    GLU 107           HN       GLU 107 -10.009  -7.551  -0.101
  805    HA   GLU 107           HA       GLU 107  -7.830  -8.539   1.609
  806   1HB   GLU 107          HB2       GLU 107 -10.186  -9.300   2.125
  807   2HB   GLU 107          HB1       GLU 107 -10.167 -10.144   0.581
  808   1HG   GLU 107          HG2       GLU 107  -8.318 -11.517   1.314
  809   2HG   GLU 107          HG1       GLU 107  -8.243 -10.638   2.840
  810    H    VAL 108           HN       VAL 108  -6.895 -10.628   0.732
  811    HA   VAL 108           HA       VAL 108  -6.785 -10.619  -2.201
  812    HB   VAL 108           HB       VAL 108  -4.453 -10.260  -0.361
  813   1HG1  VAL 108          HG11      VAL 108  -2.907 -10.946  -2.056
  814   2HG1  VAL 108          HG12      VAL 108  -4.215 -11.245  -3.200
  815   3HG1  VAL 108          HG13      VAL 108  -4.030 -12.278  -1.781
  816   1HG2  VAL 108          HG21      VAL 108  -5.572  -8.336  -1.502
  817   2HG2  VAL 108          HG22      VAL 108  -5.060  -9.030  -3.044
  818   3HG2  VAL 108          HG23      VAL 108  -3.855  -8.509  -1.864
  819    H    GLN 109           HN       GLN 109  -6.949 -12.502  -3.063
  820    HA   GLN 109           HA       GLN 109  -5.872 -14.867  -1.731
  821   1HB   GLN 109          HB2       GLN 109  -8.065 -16.059  -2.416
  822   2HB   GLN 109          HB1       GLN 109  -8.068 -15.063  -0.967
  823   1HG   GLN 109          HG2       GLN 109  -8.968 -13.193  -2.392
  824   2HG   GLN 109          HG1       GLN 109  -9.187 -14.386  -3.671
  825   1HE2  GLN 109          HE21      GLN 109 -11.150 -12.773  -2.181
  826   2HE2  GLN 109          HE22      GLN 109 -12.256 -13.908  -1.494
  827    H    ASP 110           HN       ASP 110  -5.339 -13.175  -4.090
  828    HA   ASP 110           HA       ASP 110  -4.660 -15.251  -5.914
  829   1HB   ASP 110          HB2       ASP 110  -6.767 -13.234  -6.709
  830   2HB   ASP 110          HB1       ASP 110  -5.840 -14.169  -7.877
  831    H    ARG 111           HN       ARG 111  -3.875 -13.976  -8.087
  832    HA   ARG 111           HA       ARG 111  -1.879 -12.150  -7.088
  833   1HB   ARG 111          HB2       ARG 111  -0.859 -12.347  -9.285
  834   2HB   ARG 111          HB1       ARG 111  -1.254 -13.942  -8.662
  835   1HG   ARG 111          HG2       ARG 111  -3.224 -14.037 -10.068
  836   2HG   ARG 111          HG1       ARG 111  -2.904 -12.404 -10.654
  837   1HD   ARG 111          HD2       ARG 111  -0.743 -13.196 -11.562
  838   2HD   ARG 111          HD1       ARG 111  -1.162 -14.833 -11.055
  839    HE   ARG 111           HE       ARG 111  -3.251 -13.930 -12.632
  840   1HH1  ARG 111          HH11      ARG 111   0.155 -14.569 -12.993
  841   2HH1  ARG 111          HH12      ARG 111   0.034 -14.970 -14.674
  842   1HH2  ARG 111          HH21      ARG 111  -3.421 -14.456 -14.842
  843   2HH2  ARG 111          HH22      ARG 111  -2.000 -14.906 -15.725
  844    H    GLY 112           HN       GLY 112  -4.814 -11.451  -7.386
  845   1HA   GLY 112          HA2       GLY 112  -4.321  -8.871  -8.655
  846   2HA   GLY 112          HA1       GLY 112  -5.632  -9.840  -9.306
  847    H    VAL 113           HN       VAL 113  -5.092 -10.141  -5.946
  848    HA   VAL 113           HA       VAL 113  -6.234  -9.409  -4.089
  849    HB   VAL 113           HB       VAL 113  -7.209  -7.032  -5.612
  850   1HG1  VAL 113          HG11      VAL 113  -6.466  -6.016  -3.327
  851   2HG1  VAL 113          HG12      VAL 113  -6.599  -7.688  -2.776
  852   3HG1  VAL 113          HG13      VAL 113  -8.001  -6.875  -3.469
  853   1HG2  VAL 113          HG21      VAL 113  -4.949  -7.142  -6.293
  854   2HG2  VAL 113          HG22      VAL 113  -4.411  -7.589  -4.672
  855   3HG2  VAL 113          HG23      VAL 113  -5.017  -5.960  -4.987
  856    H    GLY 114           HN       GLY 114  -8.270  -9.402  -3.148
  857   1HA   GLY 114          HA2       GLY 114 -10.440  -9.993  -5.038
  858   2HA   GLY 114          HA1       GLY 114 -10.189 -10.931  -3.572
  859    H    TRP 115           HN       TRP 115 -12.474  -9.169  -4.514
  860    HA   TRP 115           HA       TRP 115 -12.445  -7.170  -2.398
  861   1HB   TRP 115          HB2       TRP 115 -13.628  -7.209  -4.991
  862   2HB   TRP 115          HB1       TRP 115 -14.916  -7.081  -3.801
  863    HD1  TRP 115           HD1      TRP 115 -13.116  -4.841  -5.837
  864    HE1  TRP 115           HE1      TRP 115 -12.752  -2.531  -4.742
  865    HE3  TRP 115           HE3      TRP 115 -14.131  -6.064  -0.976
  866    HZ2  TRP 115           HZ2      TRP 115 -12.864  -1.403  -2.182
  867    HZ3  TRP 115           HZ3      TRP 115 -13.980  -4.303   0.735
  868    HH2  TRP 115           HH2      TRP 115 -13.361  -2.018   0.143
  869    H    SER 116           HN       SER 116 -13.391  -7.509  -0.523
  870    HA   SER 116           HA       SER 116 -14.679  -9.946   0.091
  871   1HB   SER 116          HB2       SER 116 -13.438  -8.674   1.775
  872   2HB   SER 116          HB1       SER 116 -14.603  -7.355   1.659
  873    HG   SER 116           HG       SER 116 -16.040  -8.501   2.750
  874    H    HIS 117           HN       HIS 117 -15.904  -6.674  -0.520
  875    HA   HIS 117           HA       HIS 117 -18.422  -7.620  -1.420
  876   1HB   HIS 117          HB2       HIS 117 -18.743  -7.958   1.014
  877   2HB   HIS 117          HB1       HIS 117 -18.431  -6.245   1.273
  878    HD1  HIS 117           HD1      HIS 117 -20.366  -4.670   1.016
  879    HD2  HIS 117           HD2      HIS 117 -21.208  -8.484  -0.401
  880    HE1  HIS 117           HE1      HIS 117 -22.829  -4.670   0.513
  881    HE2  HIS 117           HE2      HIS 117 -23.296  -6.958  -0.435
  882    HA   PRO 118           HA       PRO 118 -18.129  -3.437  -2.933
  883   1HB   PRO 118          HB2       PRO 118 -19.892  -3.679  -4.924
  884   2HB   PRO 118          HB1       PRO 118 -18.353  -4.547  -4.950
  885   1HG   PRO 118          HG2       PRO 118 -21.089  -5.566  -4.460
  886   2HG   PRO 118          HG1       PRO 118 -19.672  -6.411  -5.104
  887   1HD   PRO 118          HD2       PRO 118 -20.671  -6.435  -2.416
  888   2HD   PRO 118          HD1       PRO 118 -19.236  -7.262  -3.054
  889    H    LEU 119           HN       LEU 119 -20.360  -2.239  -4.190
  890    HA   LEU 119           HA       LEU 119 -21.510  -0.684  -2.283
  891   1HB   LEU 119          HB2       LEU 119 -22.997  -1.528  -4.751
  892   2HB   LEU 119          HB1       LEU 119 -23.029   0.015  -3.932
  893    HG   LEU 119           HG       LEU 119 -21.739   0.548  -5.749
  894   1HD1  LEU 119          HD11      LEU 119 -19.380   0.630  -5.098
  895   2HD1  LEU 119          HD12      LEU 119 -19.708  -0.509  -3.792
  896   3HD1  LEU 119          HD13      LEU 119 -20.447   1.093  -3.773
  897   1HD2  LEU 119          HD21      LEU 119 -20.153  -0.938  -6.837
  898   2HD2  LEU 119          HD22      LEU 119 -21.750  -1.680  -6.724
  899   3HD2  LEU 119          HD23      LEU 119 -20.468  -2.175  -5.619
  900    HA   PRO 120           HA       PRO 120 -24.178  -3.540  -0.086
  901   1HB   PRO 120          HB2       PRO 120 -25.319  -1.658   1.531
  902   2HB   PRO 120          HB1       PRO 120 -23.724  -2.361   1.822
  903   1HG   PRO 120          HG2       PRO 120 -24.446   0.257   0.568
  904   2HG   PRO 120          HG1       PRO 120 -23.150  -0.116   1.719
  905   1HD   PRO 120          HD2       PRO 120 -22.694   0.183  -0.925
  906   2HD   PRO 120          HD1       PRO 120 -21.758  -0.942   0.080
  907    H    GLN 121           HN       GLN 121 -26.659  -2.827   0.889
  908    HA   GLN 121           HA       GLN 121 -28.180  -2.453  -1.585
  909   1HB   GLN 121          HB2       GLN 121 -28.849  -3.787   1.035
  910   2HB   GLN 121          HB1       GLN 121 -30.004  -3.550  -0.261
  911   1HG   GLN 121          HG2       GLN 121 -28.725  -4.958  -1.734
  912   2HG   GLN 121          HG1       GLN 121 -27.445  -5.103  -0.530
  913   1HE2  GLN 121          HE21      GLN 121 -29.002  -7.196  -1.800
  914   2HE2  GLN 121          HE22      GLN 121 -29.792  -8.056  -0.528
  915    H    CYS 122           HN       CYS 122 -29.197  -0.567  -1.855
  916    HA   CYS 122           HA       CYS 122 -29.799   1.067   0.499
  917   1HB   CYS 122          HB2       CYS 122 -28.896   1.636  -2.204
  918   2HB   CYS 122          HB1       CYS 122 -30.318   2.584  -1.779
  919    H    GLU 123           HN       GLU 123 -31.833   0.802   1.254
  920    HA   GLU 123           HA       GLU 123 -34.035   0.731  -0.695
  921   1HB   GLU 123          HB2       GLU 123 -33.703  -1.536   0.181
  922   2HB   GLU 123          HB1       GLU 123 -33.773  -0.921   1.827
  923   1HG   GLU 123          HG2       GLU 123 -36.084  -0.261   1.512
  924   2HG   GLU 123          HG1       GLU 123 -36.025  -0.797  -0.166
  925    H    ILE 124           HN       ILE 124 -35.834   1.881  -0.144
  926    HA   ILE 124           HA       ILE 124 -35.404   3.994   1.763
  927    HB   ILE 124           HB       ILE 124 -36.540   4.358  -0.429
  928   1HG1  ILE 124          HG12      ILE 124 -38.293   5.041   1.940
  929   2HG1  ILE 124          HG11      ILE 124 -36.801   5.887   1.546
  930   1HG2  ILE 124          HG21      ILE 124 -38.898   3.724  -0.654
  931   2HG2  ILE 124          HG22      ILE 124 -38.799   2.842   0.871
  932   3HG2  ILE 124          HG23      ILE 124 -37.847   2.314  -0.517
  933   1HD1  ILE 124          HD11      ILE 124 -37.769   6.530  -0.620
  934   2HD1  ILE 124          HD12      ILE 124 -38.693   7.138   0.753
  935   3HD1  ILE 124          HD13      ILE 124 -39.277   5.742  -0.154
  936    H    LEU 125           HN       LEU 125 -36.825   4.497   3.520
  937    HA   LEU 125           HA       LEU 125 -37.546   2.191   5.056
  938   1HB   LEU 125          HB2       LEU 125 -38.167   5.070   5.696
  939   2HB   LEU 125          HB1       LEU 125 -38.053   3.729   6.818
  940    HG   LEU 125           HG       LEU 125 -35.714   4.804   5.240
  941   1HD1  LEU 125          HD11      LEU 125 -36.503   5.341   8.100
  942   2HD1  LEU 125          HD12      LEU 125 -36.560   6.502   6.773
  943   3HD1  LEU 125          HD13      LEU 125 -35.009   5.866   7.322
  944   1HD2  LEU 125          HD21      LEU 125 -35.808   2.969   7.630
  945   2HD2  LEU 125          HD22      LEU 125 -34.363   3.505   6.769
  946   3HD2  LEU 125          HD23      LEU 125 -35.534   2.456   5.966
  947    H    GLU 126           HN       GLU 126 -39.451   5.050   4.082
  948    HA   GLU 126           HA       GLU 126 -41.865   3.376   4.173
  949   1HB   GLU 126          HB2       GLU 126 -41.609   6.389   4.196
  950   2HB   GLU 126          HB1       GLU 126 -43.114   5.488   4.320
  951   1HG   GLU 126          HG2       GLU 126 -42.373   4.521   6.428
  952   2HG   GLU 126          HG1       GLU 126 -40.849   5.398   6.301
  953    H    HIS 127           HN       HIS 127 -43.459   3.599   2.502
  954    HA   HIS 127           HA       HIS 127 -42.244   4.164  -0.107
  955   1HB   HIS 127          HB2       HIS 127 -43.148   1.916   0.162
  956   2HB   HIS 127          HB1       HIS 127 -44.715   2.575   0.622
  957    HD1  HIS 127           HD1      HIS 127 -46.054   3.830  -1.312
  958    HD2  HIS 127           HD2      HIS 127 -42.752   1.623  -2.537
  959    HE1  HIS 127           HE1      HIS 127 -46.328   3.530  -3.793
  960    HE2  HIS 127           HE2      HIS 127 -44.300   2.225  -4.520
  961    H    HIS 128           HN       HIS 128 -42.979   5.737  -1.421
  962    HA   HIS 128           HA       HIS 128 -45.500   7.080  -0.730
  963   1HB   HIS 128          HB2       HIS 128 -44.469   9.272  -1.095
  964   2HB   HIS 128          HB1       HIS 128 -43.660   8.411   0.211
  965    HD1  HIS 128           HD1      HIS 128 -42.990  10.211  -2.845
  966    HD2  HIS 128           HD2      HIS 128 -41.136   7.167  -0.711
  967    HE1  HIS 128           HE1      HIS 128 -40.623  10.144  -3.690
  968    HE2  HIS 128           HE2      HIS 128 -39.495   8.357  -2.318
  969    H    HIS 129           HN       HIS 129 -45.522   9.023  -2.647
  970    HA   HIS 129           HA       HIS 129 -46.470   7.729  -4.900
  971   1HB   HIS 129          HB2       HIS 129 -45.382  10.537  -4.629
  972   2HB   HIS 129          HB1       HIS 129 -46.272   9.954  -6.032
  973    HD1  HIS 129           HD1      HIS 129 -48.683  10.465  -5.967
  974    HD2  HIS 129           HD2      HIS 129 -47.068  10.187  -2.149
  975    HE1  HIS 129           HE1      HIS 129 -50.568  11.018  -4.398
  976    HE2  HIS 129           HE2      HIS 129 -49.543  10.934  -2.098
  977    H    HIS 130           HN       HIS 130 -45.666   7.514  -7.032
  978    HA   HIS 130           HA       HIS 130 -42.908   7.995  -7.641
  979   1HB   HIS 130          HB2       HIS 130 -43.010   5.847  -6.190
  980   2HB   HIS 130          HB1       HIS 130 -43.705   5.093  -7.620
  981    HD1  HIS 130           HD1      HIS 130 -42.085   4.162  -9.250
  982    HD2  HIS 130           HD2      HIS 130 -40.334   6.968  -6.734
  983    HE1  HIS 130           HE1      HIS 130 -39.629   4.109  -9.790
  984    HE2  HIS 130           HE2      HIS 130 -38.598   5.860  -8.300
  985    H    HIS 131           HN       HIS 131 -42.399   6.705  -9.811
  986    HA   HIS 131           HA       HIS 131 -42.863   6.359 -12.006
  987   1HB   HIS 131          HB2       HIS 131 -45.678   6.023 -10.965
  988   2HB   HIS 131          HB1       HIS 131 -45.231   5.781 -12.650
  989    HD1  HIS 131           HD1      HIS 131 -43.656   3.738 -13.166
  990    HD2  HIS 131           HD2      HIS 131 -45.072   3.930  -9.265
  991    HE1  HIS 131           HE1      HIS 131 -43.215   1.468 -12.180
  992    HE2  HIS 131           HE2      HIS 131 -44.151   1.583  -9.843
  993    H    HIS 132           HN       HIS 132 -45.879   8.032 -11.138
  994    HA   HIS 132           HA       HIS 132 -46.779  10.003 -11.825
  995   1HB   HIS 132          HB2       HIS 132 -44.864  11.001 -10.677
  996   2HB   HIS 132          HB1       HIS 132 -43.875  10.805 -12.121
  997    HD1  HIS 132           HD1      HIS 132 -44.119  12.542 -13.965
  998    HD2  HIS 132           HD2      HIS 132 -46.796  13.079 -10.831
  999    HE1  HIS 132           HE1      HIS 132 -45.149  14.805 -14.341
 1000    HE2  HIS 132           HE2      HIS 132 -46.822  15.075 -12.477
  Start of MODEL   12
    1   1H    MET   0           HT1      MET   0  34.251  -3.779  -1.780
    2   2H    MET   0           HT2      MET   0  35.422  -4.287  -0.670
    3   3H    MET   0           HT3      MET   0  34.914  -2.674  -0.682
    4    HA   MET   0           HA       MET   0  33.207  -5.002  -0.021
    5   1HB   MET   0          HB2       MET   0  34.486  -2.912   1.754
    6   2HB   MET   0          HB1       MET   0  33.251  -4.044   2.289
    7   1HG   MET   0          HG2       MET   0  35.252  -4.993   2.991
    8   2HG   MET   0          HG1       MET   0  34.840  -5.881   1.526
    9   1HE   MET   0          HE1       MET   0  38.052  -2.574   1.733
   10   2HE   MET   0          HE2       MET   0  37.180  -3.176   3.143
   11   3HE   MET   0          HE3       MET   0  36.325  -2.260   1.902
   12    H    ASN   1           HN       ASN   1  33.452  -1.781  -1.065
   13    HA   ASN   1           HA       ASN   1  30.875  -0.949  -0.045
   14   1HB   ASN   1          HB2       ASN   1  33.067   0.333  -1.608
   15   2HB   ASN   1          HB1       ASN   1  31.449   1.016  -1.740
   16   1HD2  ASN   1          HD21      ASN   1  30.494   1.948   0.044
   17   2HD2  ASN   1          HD22      ASN   1  31.385   2.388   1.455
   18    H    CYS   2           HN       CYS   2  29.122  -0.263  -1.423
   19    HA   CYS   2           HA       CYS   2  28.901  -1.966  -3.804
   20   1HB   CYS   2          HB2       CYS   2  26.813  -0.769  -1.985
   21   2HB   CYS   2          HB1       CYS   2  26.413  -1.521  -3.525
   22    H    GLY   3           HN       GLY   3  27.288  -1.024  -5.476
   23   1HA   GLY   3          HA2       GLY   3  28.357   1.500  -6.356
   24   2HA   GLY   3          HA1       GLY   3  27.154   0.526  -7.193
   25    HA   PRO   4           HA       PRO   4  25.451   4.558  -5.072
   26   1HB   PRO   4          HB2       PRO   4  24.576   4.802  -7.925
   27   2HB   PRO   4          HB1       PRO   4  25.022   6.069  -6.775
   28   1HG   PRO   4          HG2       PRO   4  26.740   5.327  -8.651
   29   2HG   PRO   4          HG1       PRO   4  27.305   5.646  -7.001
   30   1HD   PRO   4          HD2       PRO   4  26.891   3.036  -8.392
   31   2HD   PRO   4          HD1       PRO   4  28.134   3.504  -7.213
   32    HA   PRO   5           HA       PRO   5  21.822   2.071  -4.298
   33   1HB   PRO   5          HB2       PRO   5  20.758   4.783  -3.630
   34   2HB   PRO   5          HB1       PRO   5  20.641   3.272  -2.719
   35   1HG   PRO   5          HG2       PRO   5  22.379   5.149  -1.997
   36   2HG   PRO   5          HG1       PRO   5  22.821   3.433  -1.927
   37   1HD   PRO   5          HD2       PRO   5  23.638   5.526  -3.882
   38   2HD   PRO   5          HD1       PRO   5  24.549   4.129  -3.274
   39    HA   PRO   6           HA       PRO   6  19.663   2.775  -8.168
   40   1HB   PRO   6          HB2       PRO   6  17.895   0.730  -7.870
   41   2HB   PRO   6          HB1       PRO   6  19.566   0.487  -8.383
   42   1HG   PRO   6          HG2       PRO   6  18.332   0.138  -5.684
   43   2HG   PRO   6          HG1       PRO   6  19.514  -0.888  -6.514
   44   1HD   PRO   6          HD2       PRO   6  20.210   0.869  -4.578
   45   2HD   PRO   6          HD1       PRO   6  21.284   0.464  -5.933
   46    H    THR   7           HN       THR   7  17.233   2.519  -8.706
   47    HA   THR   7           HA       THR   7  15.784   4.355  -6.945
   48    HB   THR   7           HB       THR   7  16.002   4.982  -9.336
   49    HG1  THR   7           HG1      THR   7  13.739   4.853  -7.885
   50   1HG2  THR   7          HG21      THR   7  15.972   2.718 -10.292
   51   2HG2  THR   7          HG22      THR   7  14.763   3.760 -11.042
   52   3HG2  THR   7          HG23      THR   7  14.273   2.559  -9.846
   53    H    LEU   8           HN       LEU   8  14.078   3.665  -5.778
   54    HA   LEU   8           HA       LEU   8  13.113   0.941  -6.278
   55   1HB   LEU   8          HB2       LEU   8  12.917   2.591  -3.760
   56   2HB   LEU   8          HB1       LEU   8  12.420   0.920  -3.943
   57    HG   LEU   8           HG       LEU   8  14.889   0.478  -4.564
   58   1HD1  LEU   8          HD11      LEU   8  15.109   3.172  -3.245
   59   2HD1  LEU   8          HD12      LEU   8  15.668   2.710  -4.854
   60   3HD1  LEU   8          HD13      LEU   8  16.452   2.043  -3.423
   61   1HD2  LEU   8          HD21      LEU   8  14.002   1.191  -1.776
   62   2HD2  LEU   8          HD22      LEU   8  15.495   0.331  -2.147
   63   3HD2  LEU   8          HD23      LEU   8  13.938  -0.392  -2.550
   64    H    SER   9           HN       SER   9  11.275   0.921  -7.411
   65    HA   SER   9           HA       SER   9   9.530   3.155  -7.544
   66   1HB   SER   9          HB2       SER   9   9.130   0.274  -8.397
   67   2HB   SER   9          HB1       SER   9   7.997   1.577  -8.756
   68    HG   SER   9           HG       SER   9   9.214   1.789 -10.465
   69    H    PHE  10           HN       PHE  10  10.039   1.013  -5.100
   70    HA   PHE  10           HA       PHE  10   7.273   1.227  -4.129
   71   1HB   PHE  10          HB2       PHE  10   8.180  -0.584  -2.452
   72   2HB   PHE  10          HB1       PHE  10   7.660  -1.042  -4.070
   73    HD1  PHE  10           HD1      PHE  10   9.294  -1.619  -5.785
   74    HD2  PHE  10           HD2      PHE  10  10.473  -0.712  -1.799
   75    HE1  PHE  10           HE1      PHE  10  11.494  -2.633  -6.210
   76    HE2  PHE  10           HE2      PHE  10  12.674  -1.724  -2.217
   77    HZ   PHE  10           HZ       PHE  10  13.188  -2.685  -4.424
   78    H    ALA  11           HN       ALA  11  10.264   2.604  -3.829
   79    HA   ALA  11           HA       ALA  11   9.453   3.982  -1.396
   80   1HB   ALA  11          HB1       ALA  11  11.622   3.572  -0.307
   81   2HB   ALA  11          HB2       ALA  11  12.040   2.448  -1.602
   82   3HB   ALA  11          HB3       ALA  11  10.687   2.094  -0.528
   83    H    ALA  12           HN       ALA  12  10.535   5.941  -1.057
   84    HA   ALA  12           HA       ALA  12  12.304   6.790  -3.256
   85   1HB   ALA  12          HB1       ALA  12  10.244   8.494  -1.850
   86   2HB   ALA  12          HB2       ALA  12  10.057   7.782  -3.452
   87   3HB   ALA  12          HB3       ALA  12  11.300   9.000  -3.169
   88    HA   PRO  13           HA       PRO  13  15.474   7.725  -0.307
   89   1HB   PRO  13          HB2       PRO  13  15.595  10.340  -1.755
   90   2HB   PRO  13          HB1       PRO  13  16.907   9.245  -1.303
   91   1HG   PRO  13          HG2       PRO  13  16.004   9.332  -3.811
   92   2HG   PRO  13          HG1       PRO  13  16.478   7.795  -3.063
   93   1HD   PRO  13          HD2       PRO  13  13.767   8.850  -3.669
   94   2HD   PRO  13          HD1       PRO  13  14.338   7.172  -3.605
   95    H    MET  14           HN       MET  14  15.665   8.790   1.644
   96    HA   MET  14           HA       MET  14  13.915  11.088   2.130
   97   1HB   MET  14          HB2       MET  14  12.710   8.986   2.774
   98   2HB   MET  14          HB1       MET  14  13.966   8.696   3.969
   99   1HG   MET  14          HG2       MET  14  12.062   9.678   5.040
  100   2HG   MET  14          HG1       MET  14  13.392  10.835   5.049
  101   1HE   MET  14          HE1       MET  14  10.302  13.185   4.740
  102   2HE   MET  14          HE2       MET  14  11.916  13.057   5.438
  103   3HE   MET  14          HE3       MET  14  10.697  11.836   5.804
  104    H    ASP  15           HN       ASP  15  16.847   9.529   2.557
  105    HA   ASP  15           HA       ASP  15  17.843  11.687   4.196
  106   1HB   ASP  15          HB2       ASP  15  17.038  10.020   5.856
  107   2HB   ASP  15          HB1       ASP  15  18.132   8.834   5.154
  108    H    ILE  16           HN       ILE  16  19.591   8.740   4.271
  109    HA   ILE  16           HA       ILE  16  21.712   8.314   3.535
  110    HB   ILE  16           HB       ILE  16  20.565   7.084   1.893
  111   1HG1  ILE  16          HG12      ILE  16  22.469   8.887   0.405
  112   2HG1  ILE  16          HG11      ILE  16  22.946   7.512   1.395
  113   1HG2  ILE  16          HG21      ILE  16  18.911   8.856   1.339
  114   2HG2  ILE  16          HG22      ILE  16  19.507   7.955  -0.056
  115   3HG2  ILE  16          HG23      ILE  16  20.122   9.575   0.277
  116   1HD1  ILE  16          HD11      ILE  16  21.204   7.334  -1.048
  117   2HD1  ILE  16          HD12      ILE  16  21.848   5.991  -0.103
  118   3HD1  ILE  16          HD13      ILE  16  22.940   7.029  -1.019
  119    H    THR  17           HN       THR  17  22.874  10.100   4.241
  120    HA   THR  17           HA       THR  17  23.086  12.572   3.050
  121    HB   THR  17           HB       THR  17  25.465  12.630   3.825
  122    HG1  THR  17           HG1      THR  17  25.153  10.185   5.124
  123   1HG2  THR  17          HG21      THR  17  23.656  13.255   5.343
  124   2HG2  THR  17          HG22      THR  17  24.946  12.433   6.221
  125   3HG2  THR  17          HG23      THR  17  23.460  11.569   5.822
  126    H    LEU  18           HN       LEU  18  23.428  13.075   0.994
  127    HA   LEU  18           HA       LEU  18  24.595  11.201  -0.810
  128   1HB   LEU  18          HB2       LEU  18  23.251  13.826  -0.995
  129   2HB   LEU  18          HB1       LEU  18  24.371  13.446  -2.284
  130    HG   LEU  18           HG       LEU  18  22.190  12.800  -3.008
  131   1HD1  LEU  18          HD11      LEU  18  23.823  10.419  -2.154
  132   2HD1  LEU  18          HD12      LEU  18  23.880  11.261  -3.703
  133   3HD1  LEU  18          HD13      LEU  18  22.449  10.331  -3.256
  134   1HD2  LEU  18          HD21      LEU  18  20.964  12.678  -0.997
  135   2HD2  LEU  18          HD22      LEU  18  22.006  11.411  -0.352
  136   3HD2  LEU  18          HD23      LEU  18  20.917  11.057  -1.693
  137    H    THR  19           HN       THR  19  26.386  12.035   1.225
  138    HA   THR  19           HA       THR  19  28.258  13.872  -0.042
  139    HB   THR  19           HB       THR  19  29.488  13.843   2.016
  140    HG1  THR  19           HG1      THR  19  28.973  12.381   3.677
  141   1HG2  THR  19          HG21      THR  19  27.747  14.508   3.639
  142   2HG2  THR  19          HG22      THR  19  26.515  13.839   2.567
  143   3HG2  THR  19          HG23      THR  19  27.484  15.220   2.047
  144    H    GLU  20           HN       GLU  20  27.621  10.591  -0.025
  145    HA   GLU  20           HA       GLU  20  30.272  10.018  -1.129
  146   1HB   GLU  20          HB2       GLU  20  28.882   8.302   0.938
  147   2HB   GLU  20          HB1       GLU  20  30.360   7.872   0.087
  148   1HG   GLU  20          HG2       GLU  20  31.502   9.774   1.106
  149   2HG   GLU  20          HG1       GLU  20  30.019  10.206   1.956
  150    H    THR  21           HN       THR  21  30.251   8.664  -2.859
  151    HA   THR  21           HA       THR  21  27.648   7.960  -3.946
  152    HB   THR  21           HB       THR  21  30.136   7.172  -5.359
  153    HG1  THR  21           HG1      THR  21  30.466   9.357  -6.024
  154   1HG2  THR  21          HG21      THR  21  27.566   8.529  -6.177
  155   2HG2  THR  21          HG22      THR  21  27.999   6.840  -6.436
  156   3HG2  THR  21          HG23      THR  21  28.875   8.115  -7.282
  157    H    ARG  22           HN       ARG  22  29.867   6.544  -1.956
  158    HA   ARG  22           HA       ARG  22  29.065   3.823  -2.749
  159   1HB   ARG  22          HB2       ARG  22  31.676   4.717  -1.531
  160   2HB   ARG  22          HB1       ARG  22  31.214   3.044  -1.804
  161   1HG   ARG  22          HG2       ARG  22  31.171   3.404  -4.193
  162   2HG   ARG  22          HG1       ARG  22  31.513   5.120  -3.965
  163   1HD   ARG  22          HD2       ARG  22  33.322   2.809  -3.275
  164   2HD   ARG  22          HD1       ARG  22  33.537   3.959  -4.595
  165    HE   ARG  22           HE       ARG  22  33.397   5.360  -2.164
  166   1HH1  ARG  22          HH11      ARG  22  35.511   3.207  -3.905
  167   2HH1  ARG  22          HH12      ARG  22  36.954   3.827  -3.177
  168   1HH2  ARG  22          HH21      ARG  22  35.291   6.183  -1.200
  169   2HH2  ARG  22          HH22      ARG  22  36.829   5.519  -1.638
  170    H    PHE  23           HN       PHE  23  29.003   2.277  -0.892
  171    HA   PHE  23           HA       PHE  23  28.782   3.394   1.763
  172   1HB   PHE  23          HB2       PHE  23  26.348   2.158   0.443
  173   2HB   PHE  23          HB1       PHE  23  26.457   2.708   2.112
  174    HD1  PHE  23           HD1      PHE  23  26.405   3.810  -1.400
  175    HD2  PHE  23           HD2      PHE  23  26.156   4.992   2.679
  176    HE1  PHE  23           HE1      PHE  23  25.687   6.046  -2.100
  177    HE2  PHE  23           HE2      PHE  23  25.425   7.236   1.984
  178    HZ   PHE  23           HZ       PHE  23  25.187   7.768  -0.409
  179    H    LYS  24           HN       LYS  24  29.883   1.952   2.912
  180    HA   LYS  24           HA       LYS  24  30.694  -0.551   2.107
  181   1HB   LYS  24          HB2       LYS  24  30.233   0.159   4.995
  182   2HB   LYS  24          HB1       LYS  24  31.422  -0.952   4.333
  183   1HG   LYS  24          HG2       LYS  24  32.597   0.923   3.293
  184   2HG   LYS  24          HG1       LYS  24  31.399   2.035   3.962
  185   1HD   LYS  24          HD2       LYS  24  32.029   1.303   6.233
  186   2HD   LYS  24          HD1       LYS  24  33.274   0.267   5.531
  187   1HE   LYS  24          HE2       LYS  24  34.410   2.194   4.613
  188   2HE   LYS  24          HE1       LYS  24  33.130   3.259   5.192
  189   1HZ   LYS  24          HZ1       LYS  24  34.942   1.641   6.900
  190   2HZ   LYS  24          HZ2       LYS  24  33.706   2.650   7.462
  191   3HZ   LYS  24          HZ3       LYS  24  35.039   3.314   6.660
  192    H    THR  25           HN       THR  25  30.265  -2.655   3.205
  193    HA   THR  25           HA       THR  25  27.586  -3.425   2.763
  194    HB   THR  25           HB       THR  25  28.396  -5.566   3.904
  195    HG1  THR  25           HG1      THR  25  30.739  -5.704   3.872
  196   1HG2  THR  25          HG21      THR  25  29.886  -4.696   1.431
  197   2HG2  THR  25          HG22      THR  25  28.192  -5.180   1.430
  198   3HG2  THR  25          HG23      THR  25  29.439  -6.345   1.876
  199    H    GLY  26           HN       GLY  26  28.752  -1.734   5.289
  200   1HA   GLY  26          HA2       GLY  26  27.062  -3.108   7.278
  201   2HA   GLY  26          HA1       GLY  26  28.362  -1.987   7.663
  202    H    THR  27           HN       THR  27  27.182  -0.472   5.217
  203    HA   THR  27           HA       THR  27  25.820   1.518   6.693
  204    HB   THR  27           HB       THR  27  27.040   1.785   4.468
  205    HG1  THR  27           HG1      THR  27  24.924   3.081   5.502
  206   1HG2  THR  27          HG21      THR  27  25.372  -0.081   3.532
  207   2HG2  THR  27          HG22      THR  27  26.082   1.165   2.502
  208   3HG2  THR  27          HG23      THR  27  24.436   1.360   3.116
  209    H    THR  28           HN       THR  28  23.604   2.368   5.829
  210    HA   THR  28           HA       THR  28  21.685   0.455   4.960
  211    HB   THR  28           HB       THR  28  21.655   1.215   7.888
  212    HG1  THR  28           HG1      THR  28  21.250  -1.395   7.297
  213   1HG2  THR  28          HG21      THR  28  19.404   1.420   7.238
  214   2HG2  THR  28          HG22      THR  28  19.537  -0.214   7.889
  215   3HG2  THR  28          HG23      THR  28  19.507   0.041   6.145
  216    H    LEU  29           HN       LEU  29  20.140   1.531   3.913
  217    HA   LEU  29           HA       LEU  29  20.014   4.420   4.199
  218   1HB   LEU  29          HB2       LEU  29  18.635   2.570   2.257
  219   2HB   LEU  29          HB1       LEU  29  18.513   4.317   2.226
  220    HG   LEU  29           HG       LEU  29  20.067   3.761   0.553
  221   1HD1  LEU  29          HD11      LEU  29  22.098   4.808   1.247
  222   2HD1  LEU  29          HD12      LEU  29  21.765   4.446   2.941
  223   3HD1  LEU  29          HD13      LEU  29  20.757   5.604   2.072
  224   1HD2  LEU  29          HD21      LEU  29  21.548   2.051   2.534
  225   2HD2  LEU  29          HD22      LEU  29  21.907   2.253   0.820
  226   3HD2  LEU  29          HD23      LEU  29  20.424   1.440   1.321
  227    H    LYS  30           HN       LYS  30  17.412   4.911   3.369
  228    HA   LYS  30           HA       LYS  30  15.743   3.846   5.536
  229   1HB   LYS  30          HB2       LYS  30  16.541   6.067   6.190
  230   2HB   LYS  30          HB1       LYS  30  15.920   6.739   4.688
  231   1HG   LYS  30          HG2       LYS  30  13.663   6.315   5.351
  232   2HG   LYS  30          HG1       LYS  30  14.199   5.414   6.770
  233   1HD   LYS  30          HD2       LYS  30  14.782   8.332   6.288
  234   2HD   LYS  30          HD1       LYS  30  13.445   7.733   7.272
  235   1HE   LYS  30          HE2       LYS  30  15.007   6.640   8.775
  236   2HE   LYS  30          HE1       LYS  30  16.363   7.149   7.768
  237   1HZ   LYS  30          HZ1       LYS  30  15.914   9.426   8.295
  238   2HZ   LYS  30          HZ2       LYS  30  16.017   8.560   9.744
  239   3HZ   LYS  30          HZ3       LYS  30  14.505   9.016   9.138
  240    H    TYR  31           HN       TYR  31  15.070   6.305   3.082
  241    HA   TYR  31           HA       TYR  31  13.619   6.397   1.343
  242   1HB   TYR  31          HB2       TYR  31  13.957   3.406   1.504
  243   2HB   TYR  31          HB1       TYR  31  12.936   4.174   0.289
  244    HD1  TYR  31           HD1      TYR  31  16.398   3.823   1.515
  245    HD2  TYR  31           HD2      TYR  31  13.894   5.266  -1.606
  246    HE1  TYR  31           HE1      TYR  31  18.376   4.170   0.098
  247    HE2  TYR  31           HE2      TYR  31  15.867   5.616  -3.033
  248    HH   TYR  31           HH       TYR  31  18.297   5.979  -2.756
  249    H    THR  32           HN       THR  32  11.448   6.616   1.037
  250    HA   THR  32           HA       THR  32   9.728   5.776   3.259
  251    HB   THR  32           HB       THR  32   8.544   7.706   3.010
  252    HG1  THR  32           HG1      THR  32   8.578   8.706   0.711
  253   1HG2  THR  32          HG21      THR  32  10.966   8.533   1.413
  254   2HG2  THR  32          HG22      THR  32  10.954   8.349   3.168
  255   3HG2  THR  32          HG23      THR  32   9.936   9.570   2.403
  256    H    CYS  33           HN       CYS  33   7.262   6.213   1.885
  257    HA   CYS  33           HA       CYS  33   7.214   4.385  -0.368
  258   1HB   CYS  33          HB2       CYS  33   5.628   3.743   2.128
  259   2HB   CYS  33          HB1       CYS  33   5.677   2.805   0.639
  260    H    LEU  34           HN       LEU  34   6.071   5.355  -1.761
  261    HA   LEU  34           HA       LEU  34   4.525   7.588  -1.590
  262   1HB   LEU  34          HB2       LEU  34   4.039   5.362  -3.561
  263   2HB   LEU  34          HB1       LEU  34   3.704   7.067  -3.789
  264    HG   LEU  34           HG       LEU  34   6.472   5.898  -3.462
  265   1HD1  LEU  34          HD11      LEU  34   5.014   6.788  -5.947
  266   2HD1  LEU  34          HD12      LEU  34   5.466   5.134  -5.534
  267   3HD1  LEU  34          HD13      LEU  34   6.717   6.333  -5.862
  268   1HD2  LEU  34          HD21      LEU  34   5.574   8.652  -4.303
  269   2HD2  LEU  34          HD22      LEU  34   7.240   8.084  -4.186
  270   3HD2  LEU  34          HD23      LEU  34   6.254   8.232  -2.731
  271    HA   PRO  35           HA       PRO  35   0.467   6.608  -0.163
  272   1HB   PRO  35          HB2       PRO  35  -1.211   7.843  -1.886
  273   2HB   PRO  35          HB1       PRO  35  -0.186   8.733  -0.754
  274   1HG   PRO  35          HG2       PRO  35   0.239   8.181  -3.667
  275   2HG   PRO  35          HG1       PRO  35   0.492   9.688  -2.765
  276   1HD   PRO  35          HD2       PRO  35   2.519   8.005  -3.423
  277   2HD   PRO  35          HD1       PRO  35   2.536   9.006  -1.957
  278    H    GLY  36           HN       GLY  36   0.124   4.431  -0.325
  279   1HA   GLY  36          HA2       GLY  36  -1.934   3.347  -1.661
  280   2HA   GLY  36          HA1       GLY  36  -0.673   3.294  -2.881
  281    H    TYR  37           HN       TYR  37   1.146   2.936  -0.318
  282    HA   TYR  37           HA       TYR  37   1.124   0.035  -0.487
  283   1HB   TYR  37          HB2       TYR  37   2.935   1.788   1.192
  284   2HB   TYR  37          HB1       TYR  37   3.188   0.100   0.777
  285    HD1  TYR  37           HD1      TYR  37   4.698  -0.378  -0.894
  286    HD2  TYR  37           HD2      TYR  37   2.731   3.389  -0.927
  287    HE1  TYR  37           HE1      TYR  37   6.074   0.318  -2.809
  288    HE2  TYR  37           HE2      TYR  37   4.100   4.097  -2.837
  289    HH   TYR  37           HH       TYR  37   6.234   3.550  -3.876
  290    H    VAL  38           HN       VAL  38   0.863  -1.330   1.317
  291    HA   VAL  38           HA       VAL  38  -0.434  -0.138   3.679
  292    HB   VAL  38           HB       VAL  38  -1.682  -2.246   3.908
  293   1HG1  VAL  38          HG11      VAL  38  -2.647  -0.363   2.626
  294   2HG1  VAL  38          HG12      VAL  38  -3.233  -1.934   2.079
  295   3HG1  VAL  38          HG13      VAL  38  -2.005  -1.077   1.145
  296   1HG2  VAL  38          HG21      VAL  38  -0.488  -3.004   1.250
  297   2HG2  VAL  38          HG22      VAL  38  -1.642  -3.943   2.198
  298   3HG2  VAL  38          HG23      VAL  38  -0.005  -3.684   2.803
  299    H    ARG  39           HN       ARG  39  -0.354  -2.764   5.000
  300    HA   ARG  39           HA       ARG  39   2.548  -3.071   5.275
  301   1HB   ARG  39          HB2       ARG  39   0.607  -2.872   7.576
  302   2HB   ARG  39          HB1       ARG  39   2.334  -3.172   7.713
  303   1HG   ARG  39          HG2       ARG  39   2.822  -0.983   6.812
  304   2HG   ARG  39          HG1       ARG  39   1.102  -0.680   6.558
  305   1HD   ARG  39          HD2       ARG  39   2.454  -1.135   9.214
  306   2HD   ARG  39          HD1       ARG  39   1.892   0.415   8.587
  307    HE   ARG  39           HE       ARG  39  -0.300  -1.262   8.572
  308   1HH1  ARG  39          HH11      ARG  39   1.909   0.018  10.943
  309   2HH1  ARG  39          HH12      ARG  39   0.746  -0.004  12.226
  310   1HH2  ARG  39          HH21      ARG  39  -1.835  -1.297  10.254
  311   2HH2  ARG  39          HH22      ARG  39  -1.383  -0.753  11.835
  312    H    SER  40           HN       SER  40   3.361  -4.987   5.708
  313    HA   SER  40           HA       SER  40   1.757  -7.235   6.538
  314   1HB   SER  40          HB2       SER  40   1.347  -7.196   4.093
  315   2HB   SER  40          HB1       SER  40   3.087  -7.260   3.811
  316    HG   SER  40           HG       SER  40   1.400  -9.240   4.907
  317    H    HIS  41           HN       HIS  41   4.261  -5.489   6.974
  318    HA   HIS  41           HA       HIS  41   6.322  -5.687   7.885
  319   1HB   HIS  41          HB2       HIS  41   5.928  -8.617   8.301
  320   2HB   HIS  41          HB1       HIS  41   6.747  -7.452   9.328
  321    HD1  HIS  41           HD1      HIS  41   5.195  -5.850  10.760
  322    HD2  HIS  41           HD2      HIS  41   3.265  -9.029   8.907
  323    HE1  HIS  41           HE1      HIS  41   2.964  -6.041  11.904
  324    HE2  HIS  41           HE2      HIS  41   1.827  -7.996  10.792
  325    H    SER  42           HN       SER  42   7.867  -5.413   6.461
  326    HA   SER  42           HA       SER  42   9.220  -7.649   5.302
  327   1HB   SER  42          HB2       SER  42   7.728  -5.732   3.504
  328   2HB   SER  42          HB1       SER  42   8.976  -6.843   2.938
  329    HG   SER  42           HG       SER  42   6.480  -7.386   3.081
  330    H    THR  43           HN       THR  43   9.043  -4.651   6.535
  331    HA   THR  43           HA       THR  43  10.903  -3.084   5.179
  332    HB   THR  43           HB       THR  43  10.580  -3.166   8.184
  333    HG1  THR  43           HG1      THR  43   8.612  -2.868   6.756
  334   1HG2  THR  43          HG21      THR  43  11.570  -1.064   6.263
  335   2HG2  THR  43          HG22      THR  43  12.453  -1.819   7.591
  336   3HG2  THR  43          HG23      THR  43  11.120  -0.717   7.932
  337    H    GLN  44           HN       GLN  44  13.081  -3.050   5.010
  338    HA   GLN  44           HA       GLN  44  14.750  -4.466   6.889
  339   1HB   GLN  44          HB2       GLN  44  13.983  -6.248   5.329
  340   2HB   GLN  44          HB1       GLN  44  14.716  -5.358   4.002
  341   1HG   GLN  44          HG2       GLN  44  16.209  -7.092   4.629
  342   2HG   GLN  44          HG1       GLN  44  16.908  -5.565   5.162
  343   1HE2  GLN  44          HE21      GLN  44  14.253  -7.134   6.795
  344   2HE2  GLN  44          HE22      GLN  44  15.128  -7.564   8.221
  345    H    THR  45           HN       THR  45  14.242  -2.087   4.547
  346    HA   THR  45           HA       THR  45  15.495  -0.384   3.746
  347    HB   THR  45           HB       THR  45  17.379   0.423   5.000
  348    HG1  THR  45           HG1      THR  45  17.514  -1.552   6.881
  349   1HG2  THR  45          HG21      THR  45  15.321  -0.774   6.859
  350   2HG2  THR  45          HG22      THR  45  15.198   0.776   6.028
  351   3HG2  THR  45          HG23      THR  45  16.430   0.536   7.266
  352    H    LEU  46           HN       LEU  46  17.942   0.095   3.025
  353    HA   LEU  46           HA       LEU  46  18.615  -2.219   1.341
  354   1HB   LEU  46          HB2       LEU  46  18.933   0.740   0.976
  355   2HB   LEU  46          HB1       LEU  46  19.919  -0.376   0.053
  356    HG   LEU  46           HG       LEU  46  18.068  -1.229  -1.122
  357   1HD1  LEU  46          HD11      LEU  46  15.745  -0.769  -0.555
  358   2HD1  LEU  46          HD12      LEU  46  16.263   0.167   0.848
  359   3HD1  LEU  46          HD13      LEU  46  16.575  -1.568   0.780
  360   1HD2  LEU  46          HD21      LEU  46  17.161   0.648  -2.207
  361   2HD2  LEU  46          HD22      LEU  46  18.754   1.153  -1.638
  362   3HD2  LEU  46          HD23      LEU  46  17.303   1.648  -0.760
  363    H    THR  47           HN       THR  47  20.354  -3.342   1.843
  364    HA   THR  47           HA       THR  47  22.512  -2.022   3.369
  365    HB   THR  47           HB       THR  47  21.913  -4.989   3.287
  366    HG1  THR  47           HG1      THR  47  21.319  -4.262   5.638
  367   1HG2  THR  47          HG21      THR  47  23.336  -4.913   5.385
  368   2HG2  THR  47          HG22      THR  47  23.764  -3.261   4.931
  369   3HG2  THR  47          HG23      THR  47  24.184  -4.606   3.871
  370    H    CYS  48           HN       CYS  48  24.657  -2.279   2.637
  371    HA   CYS  48           HA       CYS  48  24.888  -2.893  -0.112
  372   1HB   CYS  48          HB2       CYS  48  26.436  -1.284   0.811
  373   2HB   CYS  48          HB1       CYS  48  27.003  -2.438   2.007
  374    H    ASN  49           HN       ASN  49  24.700  -4.887  -0.855
  375    HA   ASN  49           HA       ASN  49  24.986  -7.204   0.772
  376   1HB   ASN  49          HB2       ASN  49  23.528  -6.799  -1.355
  377   2HB   ASN  49          HB1       ASN  49  24.998  -7.251  -2.213
  378   1HD2  ASN  49          HD21      ASN  49  23.777  -8.966  -3.072
  379   2HD2  ASN  49          HD22      ASN  49  23.582 -10.424  -2.159
  380    H    SER  50           HN       SER  50  26.206  -9.081  -0.463
  381    HA   SER  50           HA       SER  50  28.992  -8.214  -0.863
  382   1HB   SER  50          HB2       SER  50  28.509  -9.548   1.207
  383   2HB   SER  50          HB1       SER  50  27.998 -10.878   0.172
  384    HG   SER  50           HG       SER  50  30.368 -10.569   0.995
  385    H    ASP  51           HN       ASP  51  27.072  -8.214  -2.796
  386    HA   ASP  51           HA       ASP  51  27.768 -10.434  -4.639
  387   1HB   ASP  51          HB2       ASP  51  25.339 -10.279  -3.826
  388   2HB   ASP  51          HB1       ASP  51  25.247  -8.791  -4.764
  389    H    GLY  52           HN       GLY  52  27.059  -7.046  -4.135
  390   1HA   GLY  52          HA2       GLY  52  28.735  -5.525  -5.268
  391   2HA   GLY  52          HA1       GLY  52  28.268  -6.379  -6.738
  392    H    GLU  53           HN       GLU  53  25.797  -6.182  -4.570
  393    HA   GLU  53           HA       GLU  53  24.701  -3.660  -5.632
  394   1HB   GLU  53          HB2       GLU  53  22.626  -4.722  -6.208
  395   2HB   GLU  53          HB1       GLU  53  23.929  -5.607  -6.986
  396   1HG   GLU  53          HG2       GLU  53  23.793  -7.117  -4.871
  397   2HG   GLU  53          HG1       GLU  53  22.199  -6.397  -4.686
  398    H    TRP  54           HN       TRP  54  22.289  -3.574  -4.684
  399    HA   TRP  54           HA       TRP  54  22.543  -3.576  -1.773
  400   1HB   TRP  54          HB2       TRP  54  20.689  -2.146  -3.675
  401   2HB   TRP  54          HB1       TRP  54  20.531  -2.104  -1.923
  402    HD1  TRP  54           HD1      TRP  54  22.399  -0.507  -4.774
  403    HE1  TRP  54           HE1      TRP  54  23.978   1.304  -3.846
  404    HE3  TRP  54           HE3      TRP  54  22.060  -1.627   0.173
  405    HZ2  TRP  54           HZ2      TRP  54  24.954   2.142  -1.328
  406    HZ3  TRP  54           HZ3      TRP  54  23.342  -0.281   1.792
  407    HH2  TRP  54           HH2      TRP  54  24.760   1.562   1.050
  408    H    VAL  55           HN       VAL  55  21.514  -5.098  -0.667
  409    HA   VAL  55           HA       VAL  55  19.349  -6.624  -1.967
  410    HB   VAL  55           HB       VAL  55  19.742  -8.144   0.030
  411   1HG1  VAL  55          HG11      VAL  55  21.824  -7.918  -2.125
  412   2HG1  VAL  55          HG12      VAL  55  20.310  -8.819  -2.214
  413   3HG1  VAL  55          HG13      VAL  55  21.581  -9.335  -1.106
  414   1HG2  VAL  55          HG21      VAL  55  22.354  -6.670   0.070
  415   2HG2  VAL  55          HG22      VAL  55  21.974  -8.129   0.986
  416   3HG2  VAL  55          HG23      VAL  55  21.108  -6.628   1.319
  417    H    TYR  56           HN       TYR  56  17.604  -7.292  -0.611
  418    HA   TYR  56           HA       TYR  56  17.036  -6.462   1.906
  419   1HB   TYR  56          HB2       TYR  56  15.572  -4.439   1.548
  420   2HB   TYR  56          HB1       TYR  56  17.288  -4.154   1.280
  421    HD1  TYR  56           HD1      TYR  56  18.128  -3.596  -0.906
  422    HD2  TYR  56           HD2      TYR  56  14.016  -4.535  -0.357
  423    HE1  TYR  56           HE1      TYR  56  17.637  -2.728  -3.152
  424    HE2  TYR  56           HE2      TYR  56  13.514  -3.671  -2.602
  425    HH   TYR  56           HH       TYR  56  15.931  -2.981  -4.890
  426    H    ASN  57           HN       ASN  57  14.548  -6.229   2.336
  427    HA   ASN  57           HA       ASN  57  13.243  -8.329   0.819
  428   1HB   ASN  57          HB2       ASN  57  12.436  -6.805   3.303
  429   2HB   ASN  57          HB1       ASN  57  11.436  -8.049   2.556
  430   1HD2  ASN  57          HD21      ASN  57  12.059 -10.191   2.681
  431   2HD2  ASN  57          HD22      ASN  57  13.280 -10.738   3.775
  432    H    THR  58           HN       THR  58  10.665  -6.710   1.825
  433    HA   THR  58           HA       THR  58  10.560  -4.778  -0.367
  434    HB   THR  58           HB       THR  58   8.398  -6.856  -0.002
  435    HG1  THR  58           HG1      THR  58   9.287  -7.930  -1.688
  436   1HG2  THR  58          HG21      THR  58   7.554  -4.781  -0.904
  437   2HG2  THR  58          HG22      THR  58   7.629  -5.977  -2.198
  438   3HG2  THR  58          HG23      THR  58   8.862  -4.720  -2.087
  439    H    PHE  59           HN       PHE  59  10.740  -3.480   1.672
  440    HA   PHE  59           HA       PHE  59   8.744  -3.369   3.606
  441   1HB   PHE  59          HB2       PHE  59   9.470  -0.811   3.605
  442   2HB   PHE  59          HB1       PHE  59  10.529  -2.073   4.224
  443    HD1  PHE  59           HD1      PHE  59   9.750  -0.364   0.998
  444    HD2  PHE  59           HD2      PHE  59  12.710  -2.073   3.532
  445    HE1  PHE  59           HE1      PHE  59  11.500   0.325  -0.586
  446    HE2  PHE  59           HE2      PHE  59  14.465  -1.386   1.952
  447    HZ   PHE  59           HZ       PHE  59  13.861  -0.185  -0.111
  448    H    CYS  60           HN       CYS  60   6.816  -2.356   3.786
  449    HA   CYS  60           HA       CYS  60   4.834  -1.433   3.162
  450   1HB   CYS  60          HB2       CYS  60   6.346   0.039   1.005
  451   2HB   CYS  60          HB1       CYS  60   4.827   0.501   1.762
  452    H    ILE  61           HN       ILE  61   3.765  -3.197   2.394
  453    HA   ILE  61           HA       ILE  61   4.266  -4.160  -0.287
  454    HB   ILE  61           HB       ILE  61   3.833  -5.853   1.307
  455   1HG1  ILE  61          HG12      ILE  61   1.192  -5.644  -0.114
  456   2HG1  ILE  61          HG11      ILE  61   2.681  -5.950  -1.002
  457   1HG2  ILE  61          HG21      ILE  61   1.300  -4.377   1.991
  458   2HG2  ILE  61          HG22      ILE  61   2.727  -4.560   3.011
  459   3HG2  ILE  61          HG23      ILE  61   1.742  -5.967   2.611
  460   1HD1  ILE  61          HD11      ILE  61   1.549  -7.654   1.204
  461   2HD1  ILE  61          HD12      ILE  61   3.055  -7.961   0.337
  462   3HD1  ILE  61          HD13      ILE  61   1.514  -8.016  -0.522
  463    H    TYR  62           HN       TYR  62   3.618  -2.644  -1.725
  464    HA   TYR  62           HA       TYR  62   1.234  -1.137  -1.581
  465   1HB   TYR  62          HB2       TYR  62   3.378  -0.829  -3.044
  466   2HB   TYR  62          HB1       TYR  62   2.513  -1.845  -4.195
  467    HD1  TYR  62           HD1      TYR  62   3.423   1.242  -4.034
  468    HD2  TYR  62           HD2      TYR  62  -0.271  -0.844  -3.830
  469    HE1  TYR  62           HE1      TYR  62   2.269   3.257  -4.817
  470    HE2  TYR  62           HE2      TYR  62  -1.453   1.160  -4.626
  471    HH   TYR  62           HH       TYR  62  -0.931   3.755  -4.532
  472    H    LYS  63           HN       LYS  63  -0.717  -2.036  -1.501
  473    HA   LYS  63           HA       LYS  63  -1.667  -3.563  -3.740
  474   1HB   LYS  63          HB2       LYS  63  -2.401  -5.499  -2.312
  475   2HB   LYS  63          HB1       LYS  63  -0.664  -5.394  -2.577
  476   1HG   LYS  63          HG2       LYS  63  -0.263  -4.642  -0.384
  477   2HG   LYS  63          HG1       LYS  63  -1.962  -4.247  -0.125
  478   1HD   LYS  63          HD2       LYS  63  -2.563  -6.546  -0.061
  479   2HD   LYS  63          HD1       LYS  63  -0.961  -7.051  -0.574
  480   1HE   LYS  63          HE2       LYS  63  -0.223  -5.768   1.599
  481   2HE   LYS  63          HE1       LYS  63  -1.904  -6.025   2.062
  482   1HZ   LYS  63          HZ1       LYS  63  -0.472  -7.797   2.872
  483   2HZ   LYS  63          HZ2       LYS  63   0.000  -8.167   1.291
  484   3HZ   LYS  63          HZ3       LYS  63  -1.606  -8.394   1.768
  485    H    ARG  64           HN       ARG  64  -3.251  -1.933  -3.913
  486    HA   ARG  64           HA       ARG  64  -5.013  -1.484  -1.647
  487   1HB   ARG  64          HB2       ARG  64  -5.813  -0.287  -4.202
  488   2HB   ARG  64          HB1       ARG  64  -5.608   0.456  -2.629
  489   1HG   ARG  64          HG2       ARG  64  -4.021   1.526  -3.902
  490   2HG   ARG  64          HG1       ARG  64  -3.084   0.258  -3.106
  491   1HD   ARG  64          HD2       ARG  64  -2.514   0.417  -5.465
  492   2HD   ARG  64          HD1       ARG  64  -3.264  -1.133  -5.095
  493    HE   ARG  64           HE       ARG  64  -5.290   0.562  -5.933
  494   1HH1  ARG  64          HH11      ARG  64  -2.383  -0.835  -7.252
  495   2HH1  ARG  64          HH12      ARG  64  -2.979  -0.861  -8.878
  496   1HH2  ARG  64          HH21      ARG  64  -6.084   0.530  -8.072
  497   2HH2  ARG  64          HH22      ARG  64  -5.082  -0.085  -9.344
  498    H    CYS  65           HN       CYS  65  -7.322  -1.014  -3.536
  499    HA   CYS  65           HA       CYS  65  -7.938  -3.712  -4.439
  500   1HB   CYS  65          HB2       CYS  65 -10.230  -2.696  -3.031
  501   2HB   CYS  65          HB1       CYS  65  -9.379  -4.218  -2.798
  502    H    ARG  66           HN       ARG  66  -9.466  -3.755  -6.103
  503    HA   ARG  66           HA       ARG  66  -9.724  -1.379  -7.569
  504   1HB   ARG  66          HB2       ARG  66  -9.796  -3.510  -8.711
  505   2HB   ARG  66          HB1       ARG  66 -11.245  -3.984  -7.833
  506   1HG   ARG  66          HG2       ARG  66 -11.777  -3.330 -10.106
  507   2HG   ARG  66          HG1       ARG  66 -12.493  -2.201  -8.952
  508   1HD   ARG  66          HD2       ARG  66 -11.550  -0.922 -10.737
  509   2HD   ARG  66          HD1       ARG  66 -10.534  -0.706  -9.313
  510    HE   ARG  66           HE       ARG  66  -9.348  -2.754 -10.639
  511   1HH1  ARG  66          HH11      ARG  66 -10.320   0.469 -11.543
  512   2HH1  ARG  66          HH12      ARG  66  -9.061   0.658 -12.718
  513   1HH2  ARG  66          HH21      ARG  66  -7.686  -2.511 -12.181
  514   2HH2  ARG  66          HH22      ARG  66  -7.565  -1.036 -13.080
  515    H    HIS  67           HN       HIS  67 -11.434  -0.012  -7.930
  516    HA   HIS  67           HA       HIS  67 -13.050   0.575  -5.697
  517   1HB   HIS  67          HB2       HIS  67 -12.247   2.169  -7.520
  518   2HB   HIS  67          HB1       HIS  67 -13.564   1.544  -8.507
  519    HD1  HIS  67           HD1      HIS  67 -15.853   2.508  -8.113
  520    HD2  HIS  67           HD2      HIS  67 -13.125   3.573  -5.168
  521    HE1  HIS  67           HE1      HIS  67 -17.023   4.237  -6.709
  522    HE2  HIS  67           HE2      HIS  67 -15.351   4.874  -4.934
  523    HA   PRO  68           HA       PRO  68 -16.305  -2.484  -6.318
  524   1HB   PRO  68          HB2       PRO  68 -18.113  -1.097  -4.711
  525   2HB   PRO  68          HB1       PRO  68 -16.997  -2.344  -4.153
  526   1HG   PRO  68          HG2       PRO  68 -16.748   0.623  -4.018
  527   2HG   PRO  68          HG1       PRO  68 -16.212  -0.606  -2.859
  528   1HD   PRO  68          HD2       PRO  68 -14.471   0.638  -4.473
  529   2HD   PRO  68          HD1       PRO  68 -14.282  -1.079  -4.060
  530    H    GLY  69           HN       GLY  69 -16.473   0.947  -6.873
  531   1HA   GLY  69          HA2       GLY  69 -17.387   1.685  -8.983
  532   2HA   GLY  69          HA1       GLY  69 -18.585   0.410  -8.854
  533    H    GLU  70           HN       GLU  70 -19.960   2.250  -9.409
  534    HA   GLU  70           HA       GLU  70 -20.446   4.257  -7.371
  535   1HB   GLU  70          HB2       GLU  70 -20.647   4.855  -9.760
  536   2HB   GLU  70          HB1       GLU  70 -21.934   3.670  -9.939
  537   1HG   GLU  70          HG2       GLU  70 -22.809   5.934  -9.753
  538   2HG   GLU  70          HG1       GLU  70 -23.336   4.922  -8.409
  539    H    LEU  71           HN       LEU  71 -22.012   4.365  -5.952
  540    HA   LEU  71           HA       LEU  71 -23.640   1.966  -5.526
  541   1HB   LEU  71          HB2       LEU  71 -22.204   3.371  -3.759
  542   2HB   LEU  71          HB1       LEU  71 -23.683   4.300  -3.665
  543    HG   LEU  71           HG       LEU  71 -23.298   1.392  -2.963
  544   1HD1  LEU  71          HD11      LEU  71 -22.582   2.998  -1.279
  545   2HD1  LEU  71          HD12      LEU  71 -24.022   2.126  -0.753
  546   3HD1  LEU  71          HD13      LEU  71 -24.162   3.782  -1.345
  547   1HD2  LEU  71          HD21      LEU  71 -25.860   2.965  -3.147
  548   2HD2  LEU  71          HD22      LEU  71 -25.697   1.410  -2.329
  549   3HD2  LEU  71          HD23      LEU  71 -25.425   1.528  -4.071
  550    H    ARG  72           HN       ARG  72 -25.364   2.149  -6.938
  551    HA   ARG  72           HA       ARG  72 -26.705   4.622  -7.409
  552   1HB   ARG  72          HB2       ARG  72 -26.942   2.836  -9.062
  553   2HB   ARG  72          HB1       ARG  72 -27.630   1.763  -7.847
  554   1HG   ARG  72          HG2       ARG  72 -29.619   3.065  -7.712
  555   2HG   ARG  72          HG1       ARG  72 -28.925   4.331  -8.727
  556   1HD   ARG  72          HD2       ARG  72 -29.429   1.499  -9.624
  557   2HD   ARG  72          HD1       ARG  72 -30.516   2.853  -9.928
  558    HE   ARG  72           HE       ARG  72 -27.938   3.491 -10.859
  559   1HH1  ARG  72          HH11      ARG  72 -30.643   1.422 -11.604
  560   2HH1  ARG  72          HH12      ARG  72 -30.306   1.380 -13.303
  561   1HH2  ARG  72          HH21      ARG  72 -27.489   3.441 -13.091
  562   2HH2  ARG  72          HH22      ARG  72 -28.513   2.527 -14.148
  563    H    ASN  73           HN       ASN  73 -28.109   5.674  -6.336
  564    HA   ASN  73           HA       ASN  73 -29.367   6.360  -4.561
  565   1HB   ASN  73          HB2       ASN  73 -30.158   3.434  -4.652
  566   2HB   ASN  73          HB1       ASN  73 -30.886   4.583  -3.534
  567   1HD2  ASN  73          HD21      ASN  73 -30.664   3.523  -6.812
  568   2HD2  ASN  73          HD22      ASN  73 -31.954   4.488  -7.434
  569    H    GLY  74           HN       GLY  74 -26.728   6.023  -4.105
  570   1HA   GLY  74          HA2       GLY  74 -26.632   5.547  -1.327
  571   2HA   GLY  74          HA1       GLY  74 -25.881   4.217  -2.192
  572    H    GLN  75           HN       GLN  75 -24.235   5.424  -0.568
  573    HA   GLN  75           HA       GLN  75 -22.567   7.082  -2.330
  574   1HB   GLN  75          HB2       GLN  75 -22.970   7.568   0.626
  575   2HB   GLN  75          HB1       GLN  75 -21.899   8.475  -0.434
  576   1HG   GLN  75          HG2       GLN  75 -23.918   9.126  -1.763
  577   2HG   GLN  75          HG1       GLN  75 -24.902   8.395  -0.496
  578   1HE2  GLN  75          HE21      GLN  75 -24.999   9.369   1.529
  579   2HE2  GLN  75          HE22      GLN  75 -24.496  11.000   1.789
  580    H    VAL  76           HN       VAL  76 -20.466   6.561  -2.397
  581    HA   VAL  76           HA       VAL  76 -19.578   4.351  -0.663
  582    HB   VAL  76           HB       VAL  76 -18.380   5.218  -3.296
  583   1HG1  VAL  76          HG11      VAL  76 -16.980   3.336  -3.147
  584   2HG1  VAL  76          HG12      VAL  76 -17.924   2.631  -1.835
  585   3HG1  VAL  76          HG13      VAL  76 -16.929   4.056  -1.536
  586   1HG2  VAL  76          HG21      VAL  76 -20.196   2.892  -2.667
  587   2HG2  VAL  76          HG22      VAL  76 -19.403   3.187  -4.215
  588   3HG2  VAL  76          HG23      VAL  76 -20.620   4.315  -3.619
  589    H    GLU  77           HN       GLU  77 -18.580   5.239   1.076
  590    HA   GLU  77           HA       GLU  77 -17.133   7.685   0.956
  591   1HB   GLU  77          HB2       GLU  77 -18.168   7.022   3.031
  592   2HB   GLU  77          HB1       GLU  77 -17.233   5.534   3.073
  593   1HG   GLU  77          HG2       GLU  77 -15.236   6.677   3.552
  594   2HG   GLU  77          HG1       GLU  77 -15.931   8.238   3.131
  595    H    ILE  78           HN       ILE  78 -15.580   7.457  -0.659
  596    HA   ILE  78           HA       ILE  78 -13.375   5.596  -0.058
  597    HB   ILE  78           HB       ILE  78 -14.166   6.885  -2.672
  598   1HG1  ILE  78          HG12      ILE  78 -15.465   4.893  -1.998
  599   2HG1  ILE  78          HG11      ILE  78 -14.494   4.597  -3.436
  600   1HG2  ILE  78          HG21      ILE  78 -11.715   5.275  -1.987
  601   2HG2  ILE  78          HG22      ILE  78 -11.780   6.934  -2.585
  602   3HG2  ILE  78          HG23      ILE  78 -12.256   5.599  -3.634
  603   1HD1  ILE  78          HD11      ILE  78 -14.413   2.686  -1.979
  604   2HD1  ILE  78          HD12      ILE  78 -13.866   3.693  -0.637
  605   3HD1  ILE  78          HD13      ILE  78 -12.825   3.451  -2.040
  606    H    LYS  79           HN       LYS  79 -11.361   6.380   0.294
  607    HA   LYS  79           HA       LYS  79 -10.673   9.104  -0.346
  608   1HB   LYS  79          HB2       LYS  79 -10.133   9.695   2.021
  609   2HB   LYS  79          HB1       LYS  79 -11.853   9.548   1.697
  610   1HG   LYS  79          HG2       LYS  79 -10.185   7.377   2.950
  611   2HG   LYS  79          HG1       LYS  79 -11.105   8.572   3.864
  612   1HD   LYS  79          HD2       LYS  79 -13.157   7.787   2.656
  613   2HD   LYS  79          HD1       LYS  79 -12.181   6.479   1.980
  614   1HE   LYS  79          HE2       LYS  79 -11.592   5.893   4.382
  615   2HE   LYS  79          HE1       LYS  79 -12.893   6.980   4.855
  616   1HZ   LYS  79          HZ1       LYS  79 -14.429   5.634   3.545
  617   2HZ   LYS  79          HZ2       LYS  79 -13.670   4.707   4.740
  618   3HZ   LYS  79          HZ3       LYS  79 -13.173   4.581   3.128
  619    H    THR  80           HN       THR  80  -9.836   6.182   1.447
  620    HA   THR  80           HA       THR  80  -7.021   6.733   1.366
  621    HB   THR  80           HB       THR  80  -6.727   4.674   2.515
  622    HG1  THR  80           HG1      THR  80  -7.979   3.235   1.389
  623   1HG2  THR  80          HG21      THR  80  -9.234   6.138   3.309
  624   2HG2  THR  80          HG22      THR  80  -7.615   6.271   4.000
  625   3HG2  THR  80          HG23      THR  80  -8.577   4.819   4.280
  626    H    ASP  81           HN       ASP  81  -8.713   6.325  -1.184
  627    HA   ASP  81           HA       ASP  81  -8.335   5.497  -3.296
  628   1HB   ASP  81          HB2       ASP  81  -5.669   4.871  -2.062
  629   2HB   ASP  81          HB1       ASP  81  -6.035   4.651  -3.771
  630    H    LEU  82           HN       LEU  82  -8.882   3.714  -0.770
  631    HA   LEU  82           HA       LEU  82  -9.555   1.569  -0.399
  632   1HB   LEU  82          HB2       LEU  82  -9.145   1.348  -3.370
  633   2HB   LEU  82          HB1       LEU  82  -9.922   0.126  -2.379
  634    HG   LEU  82           HG       LEU  82 -11.385   2.332  -1.751
  635   1HD1  LEU  82          HD11      LEU  82 -10.224   3.710  -3.401
  636   2HD1  LEU  82          HD12      LEU  82 -11.919   3.482  -3.832
  637   3HD1  LEU  82          HD13      LEU  82 -10.665   2.566  -4.670
  638   1HD2  LEU  82          HD21      LEU  82 -12.145   0.084  -2.350
  639   2HD2  LEU  82          HD22      LEU  82 -11.869   0.467  -4.051
  640   3HD2  LEU  82          HD23      LEU  82 -13.087   1.354  -3.132
  641    H    SER  83           HN       SER  83  -7.121   2.004   0.373
  642    HA   SER  83           HA       SER  83  -5.301   0.054  -0.775
  643   1HB   SER  83          HB2       SER  83  -3.697   0.897   0.928
  644   2HB   SER  83          HB1       SER  83  -4.352   2.190  -0.076
  645    HG   SER  83           HG       SER  83  -4.455   2.860   2.039
  646    H    PHE  84           HN       PHE  84  -4.948  -1.937   0.027
  647    HA   PHE  84           HA       PHE  84  -6.615  -3.398   1.511
  648   1HB   PHE  84          HB2       PHE  84  -4.804  -4.549   0.556
  649   2HB   PHE  84          HB1       PHE  84  -3.616  -3.540   1.372
  650    HD1  PHE  84           HD1      PHE  84  -6.057  -6.263   1.850
  651    HD2  PHE  84           HD2      PHE  84  -2.807  -4.084   3.523
  652    HE1  PHE  84           HE1      PHE  84  -5.850  -7.945   3.635
  653    HE2  PHE  84           HE2      PHE  84  -2.595  -5.762   5.310
  654    HZ   PHE  84           HZ       PHE  84  -4.117  -7.696   5.367
  655    H    GLY  85           HN       GLY  85  -7.121  -3.846   3.621
  656   1HA   GLY  85          HA2       GLY  85  -7.034  -3.716   5.931
  657   2HA   GLY  85          HA1       GLY  85  -5.548  -2.787   5.795
  658    H    SER  86           HN       SER  86  -8.629  -2.016   4.238
  659    HA   SER  86           HA       SER  86  -8.967   0.203   6.119
  660   1HB   SER  86          HB2       SER  86  -9.525   1.730   4.230
  661   2HB   SER  86          HB1       SER  86  -7.835   1.215   4.245
  662    HG   SER  86           HG       SER  86  -9.809   0.722   2.401
  663    H    GLN  87           HN       GLN  87 -11.001   1.156   6.162
  664    HA   GLN  87           HA       GLN  87 -13.156  -0.662   5.317
  665   1HB   GLN  87          HB2       GLN  87 -13.301  -0.725   7.619
  666   2HB   GLN  87          HB1       GLN  87 -12.708   0.917   7.810
  667   1HG   GLN  87          HG2       GLN  87 -15.370   0.526   6.554
  668   2HG   GLN  87          HG1       GLN  87 -15.213   0.282   8.295
  669   1HE2  GLN  87          HE21      GLN  87 -15.171   2.564   5.709
  670   2HE2  GLN  87          HE22      GLN  87 -15.098   3.990   6.677
  671    H    ILE  88           HN       ILE  88 -14.729   0.125   4.040
  672    HA   ILE  88           HA       ILE  88 -14.928   3.042   3.702
  673    HB   ILE  88           HB       ILE  88 -15.438   2.669   1.286
  674   1HG1  ILE  88          HG12      ILE  88 -14.149  -0.034   1.667
  675   2HG1  ILE  88          HG11      ILE  88 -15.897   0.183   1.608
  676   1HG2  ILE  88          HG21      ILE  88 -13.087   2.429   0.615
  677   2HG2  ILE  88          HG22      ILE  88 -12.694   1.863   2.239
  678   3HG2  ILE  88          HG23      ILE  88 -13.279   3.509   1.996
  679   1HD1  ILE  88          HD11      ILE  88 -14.961  -0.510  -0.543
  680   2HD1  ILE  88          HD12      ILE  88 -13.985   0.959  -0.580
  681   3HD1  ILE  88          HD13      ILE  88 -15.744   1.067  -0.633
  682    H    GLU  89           HN       GLU  89 -16.751   3.269   4.903
  683    HA   GLU  89           HA       GLU  89 -18.955   1.528   4.878
  684   1HB   GLU  89          HB2       GLU  89 -19.401   4.417   5.434
  685   2HB   GLU  89          HB1       GLU  89 -19.980   3.003   6.304
  686   1HG   GLU  89          HG2       GLU  89 -17.686   2.650   7.162
  687   2HG   GLU  89          HG1       GLU  89 -17.207   4.154   6.376
  688    H    PHE  90           HN       PHE  90 -21.222   2.640   4.407
  689    HA   PHE  90           HA       PHE  90 -21.171   3.840   1.738
  690   1HB   PHE  90          HB2       PHE  90 -22.938   1.503   2.501
  691   2HB   PHE  90          HB1       PHE  90 -22.876   2.300   0.933
  692    HD1  PHE  90           HD1      PHE  90 -21.085   1.870  -0.615
  693    HD2  PHE  90           HD2      PHE  90 -21.136   0.031   3.230
  694    HE1  PHE  90           HE1      PHE  90 -19.338   0.300  -1.346
  695    HE2  PHE  90           HE2      PHE  90 -19.389  -1.540   2.501
  696    HZ   PHE  90           HZ       PHE  90 -18.487  -1.407   0.213
  697    H    SER  91           HN       SER  91 -23.677   4.329   1.163
  698    HA   SER  91           HA       SER  91 -25.233   5.068   3.461
  699   1HB   SER  91          HB2       SER  91 -23.954   7.272   1.838
  700   2HB   SER  91          HB1       SER  91 -25.209   7.500   3.055
  701    HG   SER  91           HG       SER  91 -23.687   7.499   4.484
  702    H    CYS  92           HN       CYS  92 -27.172   4.495   2.816
  703    HA   CYS  92           HA       CYS  92 -27.932   4.779   0.019
  704   1HB   CYS  92          HB2       CYS  92 -29.436   3.624   2.383
  705   2HB   CYS  92          HB1       CYS  92 -30.077   3.701   0.745
  706    H    SER  93           HN       SER  93 -28.807   6.570  -0.738
  707    HA   SER  93           HA       SER  93 -29.213   8.896   0.628
  708   1HB   SER  93          HB2       SER  93 -30.369   7.853  -1.931
  709   2HB   SER  93          HB1       SER  93 -30.876   9.425  -1.308
  710    HG   SER  93           HG       SER  93 -28.446   8.630  -2.379
  711    H    GLU  94           HN       GLU  94 -31.229  10.152   0.880
  712    HA   GLU  94           HA       GLU  94 -32.851   9.308   2.875
  713   1HB   GLU  94          HB2       GLU  94 -32.966  11.581   2.311
  714   2HB   GLU  94          HB1       GLU  94 -33.328  11.241   0.625
  715   1HG   GLU  94          HG2       GLU  94 -35.544  10.404   1.313
  716   2HG   GLU  94          HG1       GLU  94 -35.175  10.879   2.971
  717    H    GLY  95           HN       GLY  95 -34.949   8.445   3.058
  718   1HA   GLY  95          HA2       GLY  95 -36.767   7.157   2.484
  719   2HA   GLY  95          HA1       GLY  95 -36.403   7.480   0.796
  720    H    PHE  96           HN       PHE  96 -33.610   6.405   1.139
  721    HA   PHE  96           HA       PHE  96 -34.376   3.562   1.018
  722   1HB   PHE  96          HB2       PHE  96 -32.113   4.995  -0.405
  723   2HB   PHE  96          HB1       PHE  96 -32.439   3.268  -0.493
  724    HD1  PHE  96           HD1      PHE  96 -34.123   6.538  -1.110
  725    HD2  PHE  96           HD2      PHE  96 -33.671   2.465  -2.253
  726    HE1  PHE  96           HE1      PHE  96 -35.603   6.919  -3.038
  727    HE2  PHE  96           HE2      PHE  96 -35.151   2.838  -4.182
  728    HZ   PHE  96           HZ       PHE  96 -36.119   5.067  -4.577
  729    H    PHE  97           HN       PHE  97 -33.281   2.136   2.267
  730    HA   PHE  97           HA       PHE  97 -31.212   3.261   4.027
  731   1HB   PHE  97          HB2       PHE  97 -31.871   1.670   5.707
  732   2HB   PHE  97          HB1       PHE  97 -33.310   2.492   5.130
  733    HD1  PHE  97           HD1      PHE  97 -34.568   1.254   3.173
  734    HD2  PHE  97           HD2      PHE  97 -31.927  -0.610   5.938
  735    HE1  PHE  97           HE1      PHE  97 -35.653  -0.910   2.742
  736    HE2  PHE  97           HE2      PHE  97 -33.008  -2.779   5.512
  737    HZ   PHE  97           HZ       PHE  97 -34.873  -2.930   3.913
  738    H    LEU  98           HN       LEU  98 -29.657   1.656   4.876
  739    HA   LEU  98           HA       LEU  98 -28.451   0.296   2.610
  740   1HB   LEU  98          HB2       LEU  98 -27.174   1.797   4.150
  741   2HB   LEU  98          HB1       LEU  98 -27.373   0.592   5.406
  742    HG   LEU  98           HG       LEU  98 -26.150  -0.221   2.804
  743   1HD1  LEU  98          HD11      LEU  98 -24.696   1.208   5.022
  744   2HD1  LEU  98          HD12      LEU  98 -24.974   1.815   3.390
  745   3HD1  LEU  98          HD13      LEU  98 -23.942   0.408   3.643
  746   1HD2  LEU  98          HD21      LEU  98 -24.888  -1.724   4.311
  747   2HD2  LEU  98          HD22      LEU  98 -26.634  -1.953   4.399
  748   3HD2  LEU  98          HD23      LEU  98 -25.799  -1.068   5.673
  749    H    ILE  99           HN       ILE  99 -28.107  -1.827   2.418
  750    HA   ILE  99           HA       ILE  99 -28.580  -3.712   4.580
  751    HB   ILE  99           HB       ILE  99 -29.978  -4.560   2.164
  752   1HG1  ILE  99          HG12      ILE  99 -31.355  -2.414   3.746
  753   2HG1  ILE  99          HG11      ILE  99 -30.412  -2.028   2.313
  754   1HG2  ILE  99          HG21      ILE  99 -30.728  -4.405   5.075
  755   2HG2  ILE  99          HG22      ILE  99 -30.121  -5.811   4.200
  756   3HG2  ILE  99          HG23      ILE  99 -31.718  -5.160   3.827
  757   1HD1  ILE  99          HD11      ILE  99 -32.688  -2.185   1.672
  758   2HD1  ILE  99          HD12      ILE  99 -32.866  -3.749   2.468
  759   3HD1  ILE  99          HD13      ILE  99 -31.854  -3.601   1.031
  760    H    GLY 100           HN       GLY 100 -26.717  -4.650   4.451
  761   1HA   GLY 100          HA2       GLY 100 -25.955  -6.579   2.681
  762   2HA   GLY 100          HA1       GLY 100 -25.268  -5.094   2.020
  763    H    SER 101           HN       SER 101 -24.349  -3.690   3.879
  764    HA   SER 101           HA       SER 101 -23.169  -4.574   6.168
  765   1HB   SER 101          HB2       SER 101 -22.026  -6.310   4.806
  766   2HB   SER 101          HB1       SER 101 -21.313  -5.041   3.809
  767    HG   SER 101           HG       SER 101 -20.832  -4.535   6.397
  768    H    THR 102           HN       THR 102 -23.103  -2.508   6.926
  769    HA   THR 102           HA       THR 102 -22.711  -0.277   5.246
  770    HB   THR 102           HB       THR 102 -22.652   1.071   7.276
  771    HG1  THR 102           HG1      THR 102 -21.481  -0.066   8.732
  772   1HG2  THR 102          HG21      THR 102 -24.777   0.296   8.338
  773   2HG2  THR 102          HG22      THR 102 -24.673  -1.167   7.357
  774   3HG2  THR 102          HG23      THR 102 -24.848   0.407   6.580
  775    H    THR 103           HN       THR 103 -20.543  -2.508   6.356
  776    HA   THR 103           HA       THR 103 -18.341  -0.584   6.081
  777    HB   THR 103           HB       THR 103 -17.005  -2.180   7.451
  778    HG1  THR 103           HG1      THR 103 -18.075  -4.073   7.478
  779   1HG2  THR 103          HG21      THR 103 -17.816  -0.200   8.500
  780   2HG2  THR 103          HG22      THR 103 -18.096  -1.536   9.619
  781   3HG2  THR 103          HG23      THR 103 -19.432  -0.887   8.667
  782    H    SER 104           HN       SER 104 -16.422  -1.389   5.015
  783    HA   SER 104           HA       SER 104 -16.667  -3.904   3.590
  784   1HB   SER 104          HB2       SER 104 -17.645  -2.067   2.122
  785   2HB   SER 104          HB1       SER 104 -16.039  -1.337   2.110
  786    HG   SER 104           HG       SER 104 -16.473  -4.023   1.352
  787    H    ARG 105           HN       ARG 105 -14.838  -4.900   4.076
  788    HA   ARG 105           HA       ARG 105 -12.416  -3.306   4.600
  789   1HB   ARG 105          HB2       ARG 105 -12.992  -6.168   5.385
  790   2HB   ARG 105          HB1       ARG 105 -11.609  -5.204   5.883
  791   1HG   ARG 105          HG2       ARG 105 -13.071  -3.699   7.107
  792   2HG   ARG 105          HG1       ARG 105 -14.480  -4.616   6.572
  793   1HD   ARG 105          HD2       ARG 105 -13.872  -5.246   8.835
  794   2HD   ARG 105          HD1       ARG 105 -13.628  -6.598   7.730
  795    HE   ARG 105           HE       ARG 105 -11.308  -4.941   8.324
  796   1HH1  ARG 105          HH11      ARG 105 -13.081  -7.884   8.909
  797   2HH1  ARG 105          HH12      ARG 105 -11.730  -8.710   9.611
  798   1HH2  ARG 105          HH21      ARG 105  -9.524  -6.022   9.248
  799   2HH2  ARG 105          HH22      ARG 105  -9.709  -7.651   9.803
  800    H    CYS 106           HN       CYS 106 -10.393  -4.022   3.843
  801    HA   CYS 106           HA       CYS 106 -10.538  -5.490   1.290
  802   1HB   CYS 106          HB2       CYS 106  -9.790  -3.043   1.338
  803   2HB   CYS 106          HB1       CYS 106  -8.329  -3.629   2.130
  804    H    GLU 107           HN       GLU 107  -9.683  -7.422   1.265
  805    HA   GLU 107           HA       GLU 107  -7.573  -8.069   3.207
  806   1HB   GLU 107          HB2       GLU 107  -8.443 -10.364   3.216
  807   2HB   GLU 107          HB1       GLU 107  -9.672  -9.205   3.710
  808   1HG   GLU 107          HG2       GLU 107 -10.636  -9.294   1.456
  809   2HG   GLU 107          HG1       GLU 107  -9.429 -10.497   1.002
  810    H    VAL 108           HN       VAL 108  -6.560 -10.336   2.305
  811    HA   VAL 108           HA       VAL 108  -5.986  -9.916  -0.549
  812    HB   VAL 108           HB       VAL 108  -3.931 -10.201   1.621
  813   1HG1  VAL 108          HG11      VAL 108  -3.363 -10.261  -1.340
  814   2HG1  VAL 108          HG12      VAL 108  -3.501 -11.727  -0.365
  815   3HG1  VAL 108          HG13      VAL 108  -2.240 -10.547  -0.008
  816   1HG2  VAL 108          HG21      VAL 108  -4.884  -7.959   0.952
  817   2HG2  VAL 108          HG22      VAL 108  -4.125  -8.210  -0.623
  818   3HG2  VAL 108          HG23      VAL 108  -3.130  -8.118   0.833
  819    H    GLN 109           HN       GLN 109  -6.041 -11.570  -1.762
  820    HA   GLN 109           HA       GLN 109  -5.634 -14.263  -0.642
  821   1HB   GLN 109          HB2       GLN 109  -7.610 -13.467  -2.792
  822   2HB   GLN 109          HB1       GLN 109  -7.361 -15.094  -2.170
  823   1HG   GLN 109          HG2       GLN 109  -8.224 -14.493  -0.036
  824   2HG   GLN 109          HG1       GLN 109  -8.251 -12.783  -0.466
  825   1HE2  GLN 109          HE21      GLN 109 -10.434 -12.600  -0.015
  826   2HE2  GLN 109          HE22      GLN 109 -11.652 -13.266  -1.043
  827    H    ASP 110           HN       ASP 110  -4.392 -15.651  -1.835
  828    HA   ASP 110           HA       ASP 110  -2.866 -16.350  -3.357
  829   1HB   ASP 110          HB2       ASP 110  -4.465 -14.505  -5.112
  830   2HB   ASP 110          HB1       ASP 110  -3.132 -15.480  -5.726
  831    H    ARG 111           HN       ARG 111  -3.100 -13.139  -4.753
  832    HA   ARG 111           HA       ARG 111  -0.969 -11.978  -3.330
  833   1HB   ARG 111          HB2       ARG 111   0.810 -12.065  -4.926
  834   2HB   ARG 111          HB1       ARG 111   0.273 -13.712  -4.626
  835   1HG   ARG 111          HG2       ARG 111  -0.778 -12.143  -6.943
  836   2HG   ARG 111          HG1       ARG 111   0.756 -13.010  -7.038
  837   1HD   ARG 111          HD2       ARG 111  -0.445 -15.079  -6.354
  838   2HD   ARG 111          HD1       ARG 111  -1.959 -14.179  -6.445
  839    HE   ARG 111           HE       ARG 111  -0.764 -13.828  -8.889
  840   1HH1  ARG 111          HH11      ARG 111  -1.802 -16.556  -6.983
  841   2HH1  ARG 111          HH12      ARG 111  -2.140 -17.552  -8.359
  842   1HH2  ARG 111          HH21      ARG 111  -1.204 -15.134 -10.705
  843   2HH2  ARG 111          HH22      ARG 111  -1.799 -16.743 -10.474
  844    H    GLY 112           HN       GLY 112  -3.649 -11.596  -4.813
  845   1HA   GLY 112          HA2       GLY 112  -2.893  -8.994  -5.984
  846   2HA   GLY 112          HA1       GLY 112  -4.098 -10.025  -6.742
  847    H    VAL 113           HN       VAL 113  -3.898  -9.861  -3.328
  848    HA   VAL 113           HA       VAL 113  -5.386  -9.300  -1.738
  849    HB   VAL 113           HB       VAL 113  -4.855  -7.177  -1.438
  850   1HG1  VAL 113          HG11      VAL 113  -5.074  -6.515  -4.354
  851   2HG1  VAL 113          HG12      VAL 113  -3.640  -7.244  -3.623
  852   3HG1  VAL 113          HG13      VAL 113  -4.183  -5.646  -3.103
  853   1HG2  VAL 113          HG21      VAL 113  -7.149  -6.781  -1.300
  854   2HG2  VAL 113          HG22      VAL 113  -7.347  -6.798  -3.053
  855   3HG2  VAL 113          HG23      VAL 113  -6.506  -5.459  -2.272
  856    H    GLY 114           HN       GLY 114  -7.509  -9.366  -1.092
  857   1HA   GLY 114          HA2       GLY 114  -9.382  -9.673  -3.339
  858   2HA   GLY 114          HA1       GLY 114  -9.417 -10.668  -1.892
  859    H    TRP 115           HN       TRP 115 -11.471  -8.880  -3.114
  860    HA   TRP 115           HA       TRP 115 -11.818  -6.849  -1.069
  861   1HB   TRP 115          HB2       TRP 115 -12.699  -7.145  -3.775
  862   2HB   TRP 115          HB1       TRP 115 -14.116  -7.026  -2.744
  863    HD1  TRP 115           HD1      TRP 115 -12.393  -4.819  -4.810
  864    HE1  TRP 115           HE1      TRP 115 -12.312  -2.400  -3.914
  865    HE3  TRP 115           HE3      TRP 115 -13.566  -5.702   0.090
  866    HZ2  TRP 115           HZ2      TRP 115 -12.684  -1.057  -1.483
  867    HZ3  TRP 115           HZ3      TRP 115 -13.681  -3.789   1.631
  868    HH2  TRP 115           HH2      TRP 115 -13.250  -1.516   0.860
  869    H    SER 116           HN       SER 116 -13.138  -7.072   0.658
  870    HA   SER 116           HA       SER 116 -14.194  -9.599   1.322
  871   1HB   SER 116          HB2       SER 116 -14.746  -6.876   2.526
  872   2HB   SER 116          HB1       SER 116 -15.260  -8.405   3.239
  873    HG   SER 116           HG       SER 116 -13.320  -7.830   4.169
  874    H    HIS 117           HN       HIS 117 -15.749  -6.617   0.176
  875    HA   HIS 117           HA       HIS 117 -17.806  -7.977  -1.194
  876   1HB   HIS 117          HB2       HIS 117 -18.538  -8.358   1.188
  877   2HB   HIS 117          HB1       HIS 117 -18.733  -6.615   1.339
  878    HD1  HIS 117           HD1      HIS 117 -20.878  -5.614   0.489
  879    HD2  HIS 117           HD2      HIS 117 -20.392  -9.580  -0.654
  880    HE1  HIS 117           HE1      HIS 117 -23.074  -6.294  -0.531
  881    HE2  HIS 117           HE2      HIS 117 -22.736  -8.678  -1.272
  882    HA   PRO 118           HA       PRO 118 -17.850  -3.834  -2.807
  883   1HB   PRO 118          HB2       PRO 118 -19.531  -4.185  -4.852
  884   2HB   PRO 118          HB1       PRO 118 -17.941  -4.959  -4.837
  885   1HG   PRO 118          HG2       PRO 118 -20.625  -6.117  -4.207
  886   2HG   PRO 118          HG1       PRO 118 -19.283  -6.834  -5.117
  887   1HD   PRO 118          HD2       PRO 118 -19.851  -7.353  -2.457
  888   2HD   PRO 118          HD1       PRO 118 -18.270  -7.604  -3.222
  889    H    LEU 119           HN       LEU 119 -20.233  -2.880  -4.144
  890    HA   LEU 119           HA       LEU 119 -21.486  -1.459  -2.168
  891   1HB   LEU 119          HB2       LEU 119 -22.892  -2.294  -4.687
  892   2HB   LEU 119          HB1       LEU 119 -23.065  -0.809  -3.785
  893    HG   LEU 119           HG       LEU 119 -21.885  -0.145  -5.653
  894   1HD1  LEU 119          HD11      LEU 119 -19.901  -0.741  -3.482
  895   2HD1  LEU 119          HD12      LEU 119 -20.783   0.761  -3.774
  896   3HD1  LEU 119          HD13      LEU 119 -19.529   0.241  -4.901
  897   1HD2  LEU 119          HD21      LEU 119 -20.128  -2.570  -5.410
  898   2HD2  LEU 119          HD22      LEU 119 -20.049  -1.338  -6.668
  899   3HD2  LEU 119          HD23      LEU 119 -21.465  -2.381  -6.542
  900    HA   PRO 120           HA       PRO 120 -24.410  -4.323  -0.446
  901   1HB   PRO 120          HB2       PRO 120 -25.813  -2.649   1.074
  902   2HB   PRO 120          HB1       PRO 120 -24.096  -2.926   1.392
  903   1HG   PRO 120          HG2       PRO 120 -25.429  -0.619   0.040
  904   2HG   PRO 120          HG1       PRO 120 -24.057  -0.619   1.162
  905   1HD   PRO 120          HD2       PRO 120 -23.885  -0.481  -1.621
  906   2HD   PRO 120          HD1       PRO 120 -22.560  -0.912  -0.523
  907    H    GLN 121           HN       GLN 121 -27.027  -2.901   0.272
  908    HA   GLN 121           HA       GLN 121 -28.278  -2.839  -2.387
  909   1HB   GLN 121          HB2       GLN 121 -28.580  -5.086  -1.292
  910   2HB   GLN 121          HB1       GLN 121 -29.461  -4.276  -0.006
  911   1HG   GLN 121          HG2       GLN 121 -31.114  -3.498  -1.637
  912   2HG   GLN 121          HG1       GLN 121 -30.239  -4.345  -2.912
  913   1HE2  GLN 121          HE21      GLN 121 -29.578  -6.599  -1.184
  914   2HE2  GLN 121          HE22      GLN 121 -31.032  -7.515  -1.014
  915    H    CYS 122           HN       CYS 122 -29.228  -0.881  -2.607
  916    HA   CYS 122           HA       CYS 122 -30.212   0.428  -0.170
  917   1HB   CYS 122          HB2       CYS 122 -29.427   1.527  -2.867
  918   2HB   CYS 122          HB1       CYS 122 -30.286   2.485  -1.666
  919    H    GLU 123           HN       GLU 123 -32.291   0.024   0.207
  920    HA   GLU 123           HA       GLU 123 -34.188   0.117  -2.053
  921   1HB   GLU 123          HB2       GLU 123 -33.992  -2.183  -1.292
  922   2HB   GLU 123          HB1       GLU 123 -34.209  -1.682   0.380
  923   1HG   GLU 123          HG2       GLU 123 -36.483  -0.967  -0.120
  924   2HG   GLU 123          HG1       GLU 123 -36.269  -1.447  -1.803
  925    H    ILE 124           HN       ILE 124 -36.079   1.171  -1.717
  926    HA   ILE 124           HA       ILE 124 -36.009   3.267   0.218
  927    HB   ILE 124           HB       ILE 124 -36.995   3.513  -2.056
  928   1HG1  ILE 124          HG12      ILE 124 -38.945   4.079   0.188
  929   2HG1  ILE 124          HG11      ILE 124 -37.528   5.059  -0.174
  930   1HG2  ILE 124          HG21      ILE 124 -39.246   1.862  -0.917
  931   2HG2  ILE 124          HG22      ILE 124 -38.121   1.347  -2.174
  932   3HG2  ILE 124          HG23      ILE 124 -39.243   2.673  -2.484
  933   1HD1  ILE 124          HD11      ILE 124 -39.861   4.597  -2.015
  934   2HD1  ILE 124          HD12      ILE 124 -38.445   5.589  -2.364
  935   3HD1  ILE 124          HD13      ILE 124 -39.550   6.054  -1.071
  936    H    LEU 125           HN       LEU 125 -37.625   3.700   1.817
  937    HA   LEU 125           HA       LEU 125 -38.343   1.335   3.311
  938   1HB   LEU 125          HB2       LEU 125 -38.824   4.251   3.932
  939   2HB   LEU 125          HB1       LEU 125 -39.029   2.916   5.050
  940    HG   LEU 125           HG       LEU 125 -36.384   3.676   3.808
  941   1HD1  LEU 125          HD11      LEU 125 -35.835   4.692   5.945
  942   2HD1  LEU 125          HD12      LEU 125 -37.453   4.335   6.548
  943   3HD1  LEU 125          HD13      LEU 125 -37.239   5.482   5.226
  944   1HD2  LEU 125          HD21      LEU 125 -35.437   2.257   5.548
  945   2HD2  LEU 125          HD22      LEU 125 -36.552   1.343   4.530
  946   3HD2  LEU 125          HD23      LEU 125 -37.059   1.877   6.132
  947    H    GLU 126           HN       GLU 126 -39.798   3.115   0.902
  948    HA   GLU 126           HA       GLU 126 -42.447   2.114   1.682
  949   1HB   GLU 126          HB2       GLU 126 -42.044   4.667   2.003
  950   2HB   GLU 126          HB1       GLU 126 -42.158   4.738   0.250
  951   1HG   GLU 126          HG2       GLU 126 -44.285   5.254   1.319
  952   2HG   GLU 126          HG1       GLU 126 -44.391   3.799   0.330
  953    H    HIS 127           HN       HIS 127 -43.337   3.632  -0.884
  954    HA   HIS 127           HA       HIS 127 -42.150   1.842  -2.878
  955   1HB   HIS 127          HB2       HIS 127 -45.133   2.253  -2.606
  956   2HB   HIS 127          HB1       HIS 127 -44.307   1.185  -3.735
  957    HD1  HIS 127           HD1      HIS 127 -45.736   1.305  -0.371
  958    HD2  HIS 127           HD2      HIS 127 -43.062  -1.101  -2.450
  959    HE1  HIS 127           HE1      HIS 127 -45.545  -0.809   0.978
  960    HE2  HIS 127           HE2      HIS 127 -43.857  -2.215  -0.256
  961    H    HIS 128           HN       HIS 128 -42.812   2.474  -5.129
  962    HA   HIS 128           HA       HIS 128 -43.027   5.406  -5.306
  963   1HB   HIS 128          HB2       HIS 128 -41.636   3.466  -7.164
  964   2HB   HIS 128          HB1       HIS 128 -41.805   5.193  -7.464
  965    HD1  HIS 128           HD1      HIS 128 -39.950   6.610  -6.637
  966    HD2  HIS 128           HD2      HIS 128 -40.098   2.947  -4.684
  967    HE1  HIS 128           HE1      HIS 128 -37.924   6.561  -5.149
  968    HE2  HIS 128           HE2      HIS 128 -38.074   4.365  -3.922
  969    H    HIS 129           HN       HIS 129 -44.994   2.959  -5.483
  970    HA   HIS 129           HA       HIS 129 -46.106   3.086  -8.091
  971   1HB   HIS 129          HB2       HIS 129 -47.324   2.163  -5.479
  972   2HB   HIS 129          HB1       HIS 129 -48.053   1.924  -7.064
  973    HD1  HIS 129           HD1      HIS 129 -45.794   0.366  -4.694
  974    HD2  HIS 129           HD2      HIS 129 -46.382   0.238  -8.806
  975    HE1  HIS 129           HE1      HIS 129 -44.634  -1.724  -5.475
  976    HE2  HIS 129           HE2      HIS 129 -44.988  -1.772  -7.969
  977    H    HIS 130           HN       HIS 130 -46.503   5.181  -8.692
  978    HA   HIS 130           HA       HIS 130 -48.950   6.342  -7.759
  979   1HB   HIS 130          HB2       HIS 130 -47.579   7.242  -6.014
  980   2HB   HIS 130          HB1       HIS 130 -46.318   7.697  -7.153
  981    HD1  HIS 130           HD1      HIS 130 -49.294   8.981  -5.477
  982    HD2  HIS 130           HD2      HIS 130 -47.085   9.931  -8.866
  983    HE1  HIS 130           HE1      HIS 130 -49.966  11.327  -6.082
  984    HE2  HIS 130           HE2      HIS 130 -48.662  11.858  -8.171
  985    H    HIS 131           HN       HIS 131 -49.847   7.689  -9.266
  986    HA   HIS 131           HA       HIS 131 -48.205   8.690 -11.455
  987   1HB   HIS 131          HB2       HIS 131 -48.972   6.442 -12.175
  988   2HB   HIS 131          HB1       HIS 131 -50.639   6.964 -11.956
  989    HD1  HIS 131           HD1      HIS 131 -51.708   8.251 -13.842
  990    HD2  HIS 131           HD2      HIS 131 -47.614   7.749 -14.349
  991    HE1  HIS 131           HE1      HIS 131 -51.217   9.046 -16.177
  992    HE2  HIS 131           HE2      HIS 131 -48.743   8.679 -16.483
  993    H    HIS 132           HN       HIS 132 -51.319   8.530  -9.830
  994    HA   HIS 132           HA       HIS 132 -51.702  11.353 -10.160
  995   1HB   HIS 132          HB2       HIS 132 -52.532  10.475 -12.338
  996   2HB   HIS 132          HB1       HIS 132 -53.712   9.505 -11.463
  997    HD1  HIS 132           HD1      HIS 132 -52.809  13.150 -11.993
  998    HD2  HIS 132           HD2      HIS 132 -56.058  10.782 -10.941
  999    HE1  HIS 132           HE1      HIS 132 -54.774  14.715 -11.882
 1000    HE2  HIS 132           HE2      HIS 132 -56.731  13.261 -11.251
  Start of MODEL   13
    1   1H    MET   0           HT1      MET   0  32.969  -2.843   1.921
    2   2H    MET   0           HT2      MET   0  33.334  -4.487   1.772
    3   3H    MET   0           HT3      MET   0  31.777  -4.005   2.220
    4    HA   MET   0           HA       MET   0  33.060  -3.437  -0.387
    5   1HB   MET   0          HB2       MET   0  30.923  -5.435   0.379
    6   2HB   MET   0          HB1       MET   0  31.360  -5.035  -1.276
    7   1HG   MET   0          HG2       MET   0  33.269  -6.169   0.752
    8   2HG   MET   0          HG1       MET   0  32.375  -7.132  -0.420
    9   1HE   MET   0          HE1       MET   0  33.837  -5.880  -3.817
   10   2HE   MET   0          HE2       MET   0  32.408  -5.257  -2.992
   11   3HE   MET   0          HE3       MET   0  32.719  -6.992  -3.027
   12    H    ASN   1           HN       ASN   1  32.150  -1.832  -1.484
   13    HA   ASN   1           HA       ASN   1  29.733  -0.591  -0.422
   14   1HB   ASN   1          HB2       ASN   1  31.907   0.289  -2.292
   15   2HB   ASN   1          HB1       ASN   1  30.365   1.139  -2.279
   16   1HD2  ASN   1          HD21      ASN   1  29.834   2.416  -0.577
   17   2HD2  ASN   1          HD22      ASN   1  30.919   2.807   0.706
   18    H    CYS   2           HN       CYS   2  27.859  -0.250  -1.615
   19    HA   CYS   2           HA       CYS   2  27.523  -2.073  -3.878
   20   1HB   CYS   2          HB2       CYS   2  25.593  -0.759  -1.981
   21   2HB   CYS   2          HB1       CYS   2  25.043  -1.492  -3.483
   22    H    GLY   3           HN       GLY   3  25.666  -1.189  -5.423
   23   1HA   GLY   3          HA2       GLY   3  26.758   1.181  -6.648
   24   2HA   GLY   3          HA1       GLY   3  25.425   0.209  -7.259
   25    HA   PRO   4           HA       PRO   4  24.274   4.576  -5.324
   26   1HB   PRO   4          HB2       PRO   4  23.030   4.450  -8.054
   27   2HB   PRO   4          HB1       PRO   4  23.578   5.862  -7.140
   28   1HG   PRO   4          HG2       PRO   4  25.097   4.846  -9.071
   29   2HG   PRO   4          HG1       PRO   4  25.825   5.422  -7.561
   30   1HD   PRO   4          HD2       PRO   4  25.422   2.644  -8.528
   31   2HD   PRO   4          HD1       PRO   4  26.660   3.292  -7.436
   32    HA   PRO   5           HA       PRO   5  20.565   2.618  -3.894
   33   1HB   PRO   5          HB2       PRO   5  19.643   5.351  -3.269
   34   2HB   PRO   5          HB1       PRO   5  19.891   3.973  -2.192
   35   1HG   PRO   5          HG2       PRO   5  21.563   6.059  -2.179
   36   2HG   PRO   5          HG1       PRO   5  22.150   4.403  -1.944
   37   1HD   PRO   5          HD2       PRO   5  22.247   6.120  -4.394
   38   2HD   PRO   5          HD1       PRO   5  23.488   5.036  -3.729
   39    HA   PRO   6           HA       PRO   6  18.181   3.247  -7.702
   40   1HB   PRO   6          HB2       PRO   6  16.407   1.220  -6.996
   41   2HB   PRO   6          HB1       PRO   6  17.868   1.009  -7.965
   42   1HG   PRO   6          HG2       PRO   6  17.412   0.489  -5.067
   43   2HG   PRO   6          HG1       PRO   6  18.412  -0.403  -6.226
   44   1HD   PRO   6          HD2       PRO   6  19.487   1.253  -4.406
   45   2HD   PRO   6          HD1       PRO   6  20.177   1.075  -6.034
   46    H    THR   7           HN       THR   7  15.693   2.975  -7.910
   47    HA   THR   7           HA       THR   7  14.464   4.923  -6.089
   48    HB   THR   7           HB       THR   7  14.478   5.596  -8.403
   49    HG1  THR   7           HG1      THR   7  12.399   5.573  -6.933
   50   1HG2  THR   7          HG21      THR   7  13.233   4.288 -10.112
   51   2HG2  THR   7          HG22      THR   7  13.092   2.974  -8.944
   52   3HG2  THR   7          HG23      THR   7  14.681   3.475  -9.518
   53    H    LEU   8           HN       LEU   8  14.312   2.790  -4.624
   54    HA   LEU   8           HA       LEU   8  12.832   0.550  -5.337
   55   1HB   LEU   8          HB2       LEU   8  13.072   1.988  -2.696
   56   2HB   LEU   8          HB1       LEU   8  12.274   0.439  -2.881
   57    HG   LEU   8           HG       LEU   8  14.462  -0.463  -3.763
   58   1HD1  LEU   8          HD11      LEU   8  16.485   0.770  -3.254
   59   2HD1  LEU   8          HD12      LEU   8  15.533   2.120  -2.637
   60   3HD1  LEU   8          HD13      LEU   8  15.466   1.703  -4.350
   61   1HD2  LEU   8          HD21      LEU   8  13.644  -0.847  -1.479
   62   2HD2  LEU   8          HD22      LEU   8  14.463   0.625  -0.953
   63   3HD2  LEU   8          HD23      LEU   8  15.403  -0.743  -1.549
   64    H    SER   9           HN       SER   9  10.773   0.371  -5.968
   65    HA   SER   9           HA       SER   9   9.033   2.551  -6.127
   66   1HB   SER   9          HB2       SER   9   7.300   0.908  -6.723
   67   2HB   SER   9          HB1       SER   9   8.819   0.555  -7.547
   68    HG   SER   9           HG       SER   9   9.114  -1.185  -6.306
   69    H    PHE  10           HN       PHE  10   9.160  -0.072  -3.734
   70    HA   PHE  10           HA       PHE  10   6.844   0.737  -2.323
   71   1HB   PHE  10          HB2       PHE  10   8.944  -0.679  -0.806
   72   2HB   PHE  10          HB1       PHE  10   7.230  -1.032  -0.957
   73    HD1  PHE  10           HD1      PHE  10  10.485  -2.009  -1.869
   74    HD2  PHE  10           HD2      PHE  10   6.458  -1.993  -3.245
   75    HE1  PHE  10           HE1      PHE  10  11.009  -3.853  -3.410
   76    HE2  PHE  10           HE2      PHE  10   6.976  -3.837  -4.790
   77    HZ   PHE  10           HZ       PHE  10   9.254  -4.771  -4.870
   78    H    ALA  11           HN       ALA  11   9.730   2.366  -2.565
   79    HA   ALA  11           HA       ALA  11   9.091   3.948  -0.193
   80   1HB   ALA  11          HB1       ALA  11  11.753   2.604  -0.559
   81   2HB   ALA  11          HB2       ALA  11  10.540   2.216   0.662
   82   3HB   ALA  11          HB3       ALA  11  11.353   3.782   0.691
   83    H    ALA  12           HN       ALA  12  10.207   5.906  -0.053
   84    HA   ALA  12           HA       ALA  12  11.737   6.733  -2.427
   85   1HB   ALA  12          HB1       ALA  12  10.696   8.908  -2.342
   86   2HB   ALA  12          HB2       ALA  12   9.794   8.465  -0.890
   87   3HB   ALA  12          HB3       ALA  12   9.437   7.674  -2.426
   88    HA   PRO  13           HA       PRO  13  14.836   8.262   0.316
   89   1HB   PRO  13          HB2       PRO  13  15.347  10.821  -0.496
   90   2HB   PRO  13          HB1       PRO  13  15.904   9.389  -1.365
   91   1HG   PRO  13          HG2       PRO  13  13.579  11.171  -1.936
   92   2HG   PRO  13          HG1       PRO  13  14.699  10.388  -3.064
   93   1HD   PRO  13          HD2       PRO  13  12.188   9.463  -2.562
   94   2HD   PRO  13          HD1       PRO  13  13.531   8.410  -3.039
   95    H    MET  14           HN       MET  14  15.139   9.319   2.263
   96    HA   MET  14           HA       MET  14  13.043  11.222   3.051
   97   1HB   MET  14          HB2       MET  14  12.613   8.919   3.934
   98   2HB   MET  14          HB1       MET  14  14.124   9.037   4.823
   99   1HG   MET  14          HG2       MET  14  12.329   9.524   6.310
  100   2HG   MET  14          HG1       MET  14  13.220  11.013   6.006
  101   1HE   MET  14          HE1       MET  14  11.899  13.228   5.621
  102   2HE   MET  14          HE2       MET  14  10.851  13.297   4.204
  103   3HE   MET  14          HE3       MET  14  12.497  12.679   4.056
  104    H    ASP  15           HN       ASP  15  16.229   9.915   3.869
  105    HA   ASP  15           HA       ASP  15  17.293  12.536   4.289
  106   1HB   ASP  15          HB2       ASP  15  15.970  12.058   6.392
  107   2HB   ASP  15          HB1       ASP  15  17.126  10.779   6.732
  108    H    ILE  16           HN       ILE  16  17.864   9.985   2.851
  109    HA   ILE  16           HA       ILE  16  20.215   8.885   4.039
  110    HB   ILE  16           HB       ILE  16  20.254   7.405   2.286
  111   1HG1  ILE  16          HG12      ILE  16  18.991   9.535   0.547
  112   2HG1  ILE  16          HG11      ILE  16  20.671   9.008   0.496
  113   1HG2  ILE  16          HG21      ILE  16  18.049   7.397   3.433
  114   2HG2  ILE  16          HG22      ILE  16  18.017   6.735   1.799
  115   3HG2  ILE  16          HG23      ILE  16  17.415   8.365   2.101
  116   1HD1  ILE  16          HD11      ILE  16  19.523   8.028  -1.342
  117   2HD1  ILE  16          HD12      ILE  16  18.242   7.425  -0.291
  118   3HD1  ILE  16          HD13      ILE  16  19.868   6.750  -0.177
  119    H    THR  17           HN       THR  17  19.779  11.811   2.991
  120    HA   THR  17           HA       THR  17  20.930  13.422   1.822
  121    HB   THR  17           HB       THR  17  23.455  13.308   2.509
  122    HG1  THR  17           HG1      THR  17  23.299  12.165   4.728
  123   1HG2  THR  17          HG21      THR  17  21.175  13.826   4.420
  124   2HG2  THR  17          HG22      THR  17  21.952  14.991   3.347
  125   3HG2  THR  17          HG23      THR  17  22.843  14.317   4.712
  126    H    LEU  18           HN       LEU  18  20.602  12.464  -0.272
  127    HA   LEU  18           HA       LEU  18  22.516  10.777  -1.460
  128   1HB   LEU  18          HB2       LEU  18  20.470  12.636  -2.612
  129   2HB   LEU  18          HB1       LEU  18  21.389  11.492  -3.555
  130    HG   LEU  18           HG       LEU  18  20.348   9.867  -1.646
  131   1HD1  LEU  18          HD11      LEU  18  18.285  11.959  -2.274
  132   2HD1  LEU  18          HD12      LEU  18  19.074  11.729  -0.715
  133   3HD1  LEU  18          HD13      LEU  18  18.017  10.472  -1.364
  134   1HD2  LEU  18          HD21      LEU  18  18.788   9.139  -3.363
  135   2HD2  LEU  18          HD22      LEU  18  20.375   9.473  -4.057
  136   3HD2  LEU  18          HD23      LEU  18  19.062  10.633  -4.260
  137    H    THR  19           HN       THR  19  24.486  11.780  -0.912
  138    HA   THR  19           HA       THR  19  25.180  14.039  -2.659
  139    HB   THR  19           HB       THR  19  26.479  15.093  -0.949
  140    HG1  THR  19           HG1      THR  19  25.783  12.890   0.729
  141   1HG2  THR  19          HG21      THR  19  24.741  15.464   0.853
  142   2HG2  THR  19          HG22      THR  19  23.753  14.248   0.038
  143   3HG2  THR  19          HG23      THR  19  24.192  15.738  -0.801
  144    H    GLU  20           HN       GLU  20  25.782  10.939  -1.553
  145    HA   GLU  20           HA       GLU  20  28.564  10.973  -2.496
  146   1HB   GLU  20          HB2       GLU  20  28.857   8.900  -1.254
  147   2HB   GLU  20          HB1       GLU  20  28.220  10.160  -0.205
  148   1HG   GLU  20          HG2       GLU  20  25.931   9.177  -0.675
  149   2HG   GLU  20          HG1       GLU  20  26.792   7.789  -1.341
  150    H    THR  21           HN       THR  21  28.851   8.271  -3.066
  151    HA   THR  21           HA       THR  21  26.932   7.836  -5.259
  152    HB   THR  21           HB       THR  21  28.967   6.867  -6.511
  153    HG1  THR  21           HG1      THR  21  30.368   8.761  -4.936
  154   1HG2  THR  21          HG21      THR  21  29.467   9.055  -7.498
  155   2HG2  THR  21          HG22      THR  21  28.692   9.850  -6.128
  156   3HG2  THR  21          HG23      THR  21  27.735   8.858  -7.229
  157    H    ARG  22           HN       ARG  22  29.197   6.435  -2.984
  158    HA   ARG  22           HA       ARG  22  28.009   3.790  -3.503
  159   1HB   ARG  22          HB2       ARG  22  30.817   4.376  -2.568
  160   2HB   ARG  22          HB1       ARG  22  30.122   2.778  -2.801
  161   1HG   ARG  22          HG2       ARG  22  29.900   3.197  -5.183
  162   2HG   ARG  22          HG1       ARG  22  30.546   4.827  -4.968
  163   1HD   ARG  22          HD2       ARG  22  32.295   3.382  -5.774
  164   2HD   ARG  22          HD1       ARG  22  32.643   3.841  -4.108
  165    HE   ARG  22           HE       ARG  22  31.269   1.436  -4.009
  166   1HH1  ARG  22          HH11      ARG  22  34.284   2.634  -5.278
  167   2HH1  ARG  22          HH12      ARG  22  35.107   1.121  -5.107
  168   1HH2  ARG  22          HH21      ARG  22  32.347  -0.564  -3.780
  169   2HH2  ARG  22          HH22      ARG  22  34.006  -0.697  -4.258
  170    H    PHE  23           HN       PHE  23  28.145   2.313  -1.577
  171    HA   PHE  23           HA       PHE  23  28.107   3.613   1.020
  172   1HB   PHE  23          HB2       PHE  23  25.684   2.108  -0.004
  173   2HB   PHE  23          HB1       PHE  23  25.866   2.848   1.579
  174    HD1  PHE  23           HD1      PHE  23  25.967   3.807  -2.021
  175    HD2  PHE  23           HD2      PHE  23  24.863   4.871   1.947
  176    HE1  PHE  23           HE1      PHE  23  24.930   5.859  -2.868
  177    HE2  PHE  23           HE2      PHE  23  23.814   6.932   1.105
  178    HZ   PHE  23           HZ       PHE  23  23.847   7.430  -1.307
  179    H    LYS  24           HN       LYS  24  29.348   2.272   2.205
  180    HA   LYS  24           HA       LYS  24  30.125  -0.287   1.457
  181   1HB   LYS  24          HB2       LYS  24  30.744  -0.535   3.939
  182   2HB   LYS  24          HB1       LYS  24  31.520   0.736   3.006
  183   1HG   LYS  24          HG2       LYS  24  29.868   2.346   3.914
  184   2HG   LYS  24          HG1       LYS  24  29.221   1.051   4.924
  185   1HD   LYS  24          HD2       LYS  24  30.717   2.314   6.276
  186   2HD   LYS  24          HD1       LYS  24  31.521   0.791   5.897
  187   1HE   LYS  24          HE2       LYS  24  31.966   3.266   4.258
  188   2HE   LYS  24          HE1       LYS  24  32.896   2.944   5.721
  189   1HZ   LYS  24          HZ1       LYS  24  34.103   2.145   3.838
  190   2HZ   LYS  24          HZ2       LYS  24  32.778   1.253   3.285
  191   3HZ   LYS  24          HZ3       LYS  24  33.559   0.805   4.716
  192    H    THR  25           HN       THR  25  29.870  -2.271   2.899
  193    HA   THR  25           HA       THR  25  27.128  -3.036   2.812
  194    HB   THR  25           HB       THR  25  28.101  -5.104   4.022
  195    HG1  THR  25           HG1      THR  25  30.485  -5.046   3.093
  196   1HG2  THR  25          HG21      THR  25  28.597  -6.119   1.928
  197   2HG2  THR  25          HG22      THR  25  29.129  -4.581   1.242
  198   3HG2  THR  25          HG23      THR  25  27.420  -4.851   1.577
  199    H    GLY  26           HN       GLY  26  28.715  -1.239   5.019
  200   1HA   GLY  26          HA2       GLY  26  27.280  -2.387   7.325
  201   2HA   GLY  26          HA1       GLY  26  28.634  -1.268   7.428
  202    H    THR  27           HN       THR  27  27.143   0.047   5.047
  203    HA   THR  27           HA       THR  27  25.978   2.168   6.531
  204    HB   THR  27           HB       THR  27  26.975   2.269   4.171
  205    HG1  THR  27           HG1      THR  27  25.086   3.709   5.377
  206   1HG2  THR  27          HG21      THR  27  25.204   0.405   3.506
  207   2HG2  THR  27          HG22      THR  27  25.770   1.608   2.349
  208   3HG2  THR  27          HG23      THR  27  24.215   1.825   3.158
  209    H    THR  28           HN       THR  28  23.697   2.987   5.860
  210    HA   THR  28           HA       THR  28  21.695   1.026   5.312
  211    HB   THR  28           HB       THR  28  21.796   2.106   8.138
  212    HG1  THR  28           HG1      THR  28  22.000  -0.172   8.632
  213   1HG2  THR  28          HG21      THR  28  19.829   0.181   6.901
  214   2HG2  THR  28          HG22      THR  28  19.514   1.897   7.152
  215   3HG2  THR  28          HG23      THR  28  19.791   0.840   8.536
  216    H    LEU  29           HN       LEU  29  20.038   2.014   4.364
  217    HA   LEU  29           HA       LEU  29  19.938   4.908   4.347
  218   1HB   LEU  29          HB2       LEU  29  18.317   2.829   2.874
  219   2HB   LEU  29          HB1       LEU  29  18.121   4.556   2.660
  220    HG   LEU  29           HG       LEU  29  19.416   3.643   0.837
  221   1HD1  LEU  29          HD11      LEU  29  21.351   5.070   0.918
  222   2HD1  LEU  29          HD12      LEU  29  21.240   5.179   2.675
  223   3HD1  LEU  29          HD13      LEU  29  19.984   5.894   1.667
  224   1HD2  LEU  29          HD21      LEU  29  21.604   2.606   1.209
  225   2HD2  LEU  29          HD22      LEU  29  20.294   1.665   1.917
  226   3HD2  LEU  29          HD23      LEU  29  21.322   2.657   2.949
  227    H    LYS  30           HN       LYS  30  17.249   5.364   3.909
  228    HA   LYS  30           HA       LYS  30  15.969   4.613   6.447
  229   1HB   LYS  30          HB2       LYS  30  16.846   7.042   6.240
  230   2HB   LYS  30          HB1       LYS  30  15.501   7.273   5.127
  231   1HG   LYS  30          HG2       LYS  30  14.907   8.007   7.358
  232   2HG   LYS  30          HG1       LYS  30  13.933   6.614   6.882
  233   1HD   LYS  30          HD2       LYS  30  15.541   5.165   8.140
  234   2HD   LYS  30          HD1       LYS  30  16.308   6.637   8.738
  235   1HE   LYS  30          HE2       LYS  30  14.203   7.327   9.762
  236   2HE   LYS  30          HE1       LYS  30  13.422   5.868   9.153
  237   1HZ   LYS  30          HZ1       LYS  30  15.696   5.923  11.062
  238   2HZ   LYS  30          HZ2       LYS  30  14.907   4.537  10.500
  239   3HZ   LYS  30          HZ3       LYS  30  14.078   5.644  11.474
  240    H    TYR  31           HN       TYR  31  14.899   6.534   3.686
  241    HA   TYR  31           HA       TYR  31  13.195   6.318   2.218
  242   1HB   TYR  31          HB2       TYR  31  13.807   3.434   2.777
  243   2HB   TYR  31          HB1       TYR  31  12.467   3.881   1.726
  244    HD1  TYR  31           HD1      TYR  31  12.855   4.723  -0.482
  245    HD2  TYR  31           HD2      TYR  31  16.124   3.980   2.135
  246    HE1  TYR  31           HE1      TYR  31  14.410   4.947  -2.373
  247    HE2  TYR  31           HE2      TYR  31  17.691   4.203   0.252
  248    HH   TYR  31           HH       TYR  31  16.768   5.469  -2.768
  249    H    THR  32           HN       THR  32  11.034   6.523   2.240
  250    HA   THR  32           HA       THR  32   9.620   5.611   4.660
  251    HB   THR  32           HB       THR  32   9.475   7.893   4.885
  252    HG1  THR  32           HG1      THR  32   7.335   8.071   3.193
  253   1HG2  THR  32          HG21      THR  32   9.259   8.141   1.883
  254   2HG2  THR  32          HG22      THR  32  10.698   8.462   2.855
  255   3HG2  THR  32          HG23      THR  32   9.270   9.485   3.027
  256    H    CYS  33           HN       CYS  33   7.398   4.963   4.409
  257    HA   CYS  33           HA       CYS  33   6.903   3.827   1.749
  258   1HB   CYS  33          HB2       CYS  33   6.502   2.886   4.472
  259   2HB   CYS  33          HB1       CYS  33   5.064   2.690   3.477
  260    H    LEU  34           HN       LEU  34   5.532   4.661   0.535
  261    HA   LEU  34           HA       LEU  34   3.946   6.860   0.951
  262   1HB   LEU  34          HB2       LEU  34   3.168   4.691  -0.982
  263   2HB   LEU  34          HB1       LEU  34   2.865   6.412  -1.116
  264    HG   LEU  34           HG       LEU  34   5.524   5.004  -1.393
  265   1HD1  LEU  34          HD11      LEU  34   3.972   4.950  -3.333
  266   2HD1  LEU  34          HD12      LEU  34   5.490   5.795  -3.646
  267   3HD1  LEU  34          HD13      LEU  34   4.010   6.714  -3.356
  268   1HD2  LEU  34          HD21      LEU  34   6.587   7.101  -1.629
  269   2HD2  LEU  34          HD22      LEU  34   5.644   7.187  -0.141
  270   3HD2  LEU  34          HD23      LEU  34   5.049   7.965  -1.607
  271    HA   PRO  35           HA       PRO  35   0.316   6.529   3.301
  272   1HB   PRO  35          HB2       PRO  35  -1.088   6.352   0.666
  273   2HB   PRO  35          HB1       PRO  35  -1.524   7.275   2.108
  274   1HG   PRO  35          HG2       PRO  35  -0.199   8.355  -0.013
  275   2HG   PRO  35          HG1       PRO  35  -0.028   8.945   1.648
  276   1HD   PRO  35          HD2       PRO  35   1.941   7.622  -0.011
  277   2HD   PRO  35          HD1       PRO  35   2.149   8.331   1.601
  278    H    GLY  36           HN       GLY  36  -1.000   4.766   0.588
  279   1HA   GLY  36          HA2       GLY  36  -1.882   2.687   2.395
  280   2HA   GLY  36          HA1       GLY  36  -2.323   2.856   0.709
  281    H    TYR  37           HN       TYR  37   0.821   2.978   0.330
  282    HA   TYR  37           HA       TYR  37   1.364   0.796  -0.948
  283   1HB   TYR  37          HB2       TYR  37   2.991   2.575   0.499
  284   2HB   TYR  37          HB1       TYR  37   3.548   0.951   0.904
  285    HD1  TYR  37           HD1      TYR  37   3.854   3.568  -1.382
  286    HD2  TYR  37           HD2      TYR  37   3.746  -0.671  -1.192
  287    HE1  TYR  37           HE1      TYR  37   4.990   3.447  -3.565
  288    HE2  TYR  37           HE2      TYR  37   4.873  -0.811  -3.371
  289    HH   TYR  37           HH       TYR  37   5.163   0.592  -5.379
  290    H    VAL  38           HN       VAL  38   0.117  -0.908  -0.491
  291    HA   VAL  38           HA       VAL  38  -0.152  -2.440   1.624
  292    HB   VAL  38           HB       VAL  38   0.554  -3.473  -1.123
  293   1HG1  VAL  38          HG11      VAL  38  -0.645  -5.500  -0.474
  294   2HG1  VAL  38          HG12      VAL  38  -0.827  -4.865   1.162
  295   3HG1  VAL  38          HG13      VAL  38   0.779  -5.234   0.534
  296   1HG2  VAL  38          HG21      VAL  38  -1.340  -1.898  -1.006
  297   2HG2  VAL  38          HG22      VAL  38  -2.119  -2.951   0.177
  298   3HG2  VAL  38          HG23      VAL  38  -1.844  -3.523  -1.468
  299    H    ARG  39           HN       ARG  39   0.965  -4.490   2.401
  300    HA   ARG  39           HA       ARG  39   3.823  -4.494   1.901
  301   1HB   ARG  39          HB2       ARG  39   4.140  -4.558   4.503
  302   2HB   ARG  39          HB1       ARG  39   4.029  -3.025   3.652
  303   1HG   ARG  39          HG2       ARG  39   2.707  -2.926   5.648
  304   2HG   ARG  39          HG1       ARG  39   1.638  -2.904   4.246
  305   1HD   ARG  39          HD2       ARG  39   0.767  -4.358   5.999
  306   2HD   ARG  39          HD1       ARG  39   1.168  -5.273   4.547
  307    HE   ARG  39           HE       ARG  39   3.400  -5.563   5.975
  308   1HH1  ARG  39          HH11      ARG  39   0.052  -5.862   6.903
  309   2HH1  ARG  39          HH12      ARG  39   0.360  -7.068   8.107
  310   1HH2  ARG  39          HH21      ARG  39   3.813  -7.152   7.557
  311   2HH2  ARG  39          HH22      ARG  39   2.499  -7.800   8.480
  312    H    SER  40           HN       SER  40   4.957  -6.286   2.637
  313    HA   SER  40           HA       SER  40   3.282  -8.618   3.298
  314   1HB   SER  40          HB2       SER  40   4.288  -8.775   1.055
  315   2HB   SER  40          HB1       SER  40   5.887  -8.516   1.750
  316    HG   SER  40           HG       SER  40   4.203 -10.758   1.954
  317    H    HIS  41           HN       HIS  41   5.866  -6.595   4.211
  318    HA   HIS  41           HA       HIS  41   6.480  -8.358   6.481
  319   1HB   HIS  41          HB2       HIS  41   8.426  -6.801   4.777
  320   2HB   HIS  41          HB1       HIS  41   8.835  -7.397   6.383
  321    HD1  HIS  41           HD1      HIS  41   7.735  -8.736   3.008
  322    HD2  HIS  41           HD2      HIS  41   9.722  -9.968   6.443
  323    HE1  HIS  41           HE1      HIS  41   8.611 -11.035   2.489
  324    HE2  HIS  41           HE2      HIS  41   9.888 -11.722   4.550
  325    H    SER  42           HN       SER  42   8.239  -5.403   6.235
  326    HA   SER  42           HA       SER  42   6.486  -3.522   7.248
  327   1HB   SER  42          HB2       SER  42   6.126  -5.000   9.147
  328   2HB   SER  42          HB1       SER  42   7.862  -5.058   9.457
  329    HG   SER  42           HG       SER  42   6.670  -3.534  10.773
  330    H    THR  43           HN       THR  43   9.503  -4.421   8.812
  331    HA   THR  43           HA       THR  43  10.782  -2.097   9.059
  332    HB   THR  43           HB       THR  43  12.180  -4.520   7.940
  333    HG1  THR  43           HG1      THR  43  11.575  -3.871  10.655
  334   1HG2  THR  43          HG21      THR  43  13.144  -2.258   9.693
  335   2HG2  THR  43          HG22      THR  43  13.583  -2.538   8.008
  336   3HG2  THR  43          HG23      THR  43  14.093  -3.678   9.253
  337    H    GLN  44           HN       GLN  44  11.883  -0.609   7.879
  338    HA   GLN  44           HA       GLN  44  12.069  -1.028   4.974
  339   1HB   GLN  44          HB2       GLN  44  10.090   0.371   5.596
  340   2HB   GLN  44          HB1       GLN  44  11.194   1.543   6.299
  341   1HG   GLN  44          HG2       GLN  44  12.183   1.966   4.145
  342   2HG   GLN  44          HG1       GLN  44  11.196   0.701   3.412
  343   1HE2  GLN  44          HE21      GLN  44  10.124   1.992   1.993
  344   2HE2  GLN  44          HE22      GLN  44   8.996   3.210   2.469
  345    H    THR  45           HN       THR  45  14.307  -1.445   5.199
  346    HA   THR  45           HA       THR  45  15.933   0.952   5.376
  347    HB   THR  45           HB       THR  45  17.584  -0.132   6.918
  348    HG1  THR  45           HG1      THR  45  15.410  -1.898   7.457
  349   1HG2  THR  45          HG21      THR  45  15.970   1.595   7.670
  350   2HG2  THR  45          HG22      THR  45  16.416   0.461   8.947
  351   3HG2  THR  45          HG23      THR  45  14.857   0.304   8.135
  352    H    LEU  46           HN       LEU  46  17.718   0.867   4.117
  353    HA   LEU  46           HA       LEU  46  18.121  -1.612   2.578
  354   1HB   LEU  46          HB2       LEU  46  18.427   1.283   1.891
  355   2HB   LEU  46          HB1       LEU  46  19.388   0.093   1.038
  356    HG   LEU  46           HG       LEU  46  17.366  -1.009   0.238
  357   1HD1  LEU  46          HD11      LEU  46  15.846   1.171   1.655
  358   2HD1  LEU  46          HD12      LEU  46  15.960  -0.501   2.202
  359   3HD1  LEU  46          HD13      LEU  46  15.169  -0.126   0.671
  360   1HD2  LEU  46          HD21      LEU  46  18.369   0.914  -1.000
  361   2HD2  LEU  46          HD22      LEU  46  17.174   1.961  -0.233
  362   3HD2  LEU  46          HD23      LEU  46  16.650   0.668  -1.310
  363    H    THR  47           HN       THR  47  20.010  -2.655   2.737
  364    HA   THR  47           HA       THR  47  22.343  -1.229   3.833
  365    HB   THR  47           HB       THR  47  21.465  -4.020   4.617
  366    HG1  THR  47           HG1      THR  47  20.468  -2.992   6.168
  367   1HG2  THR  47          HG21      THR  47  23.386  -4.002   6.117
  368   2HG2  THR  47          HG22      THR  47  23.846  -2.401   5.534
  369   3HG2  THR  47          HG23      THR  47  23.908  -3.788   4.446
  370    H    CYS  48           HN       CYS  48  24.307  -1.761   2.841
  371    HA   CYS  48           HA       CYS  48  24.074  -2.953   0.302
  372   1HB   CYS  48          HB2       CYS  48  25.807  -1.258   0.786
  373   2HB   CYS  48          HB1       CYS  48  26.580  -2.366   1.904
  374    H    ASN  49           HN       ASN  49  23.741  -5.028  -0.024
  375    HA   ASN  49           HA       ASN  49  24.509  -6.989   1.965
  376   1HB   ASN  49          HB2       ASN  49  23.262  -8.569   0.563
  377   2HB   ASN  49          HB1       ASN  49  22.301  -7.130   0.897
  378   1HD2  ASN  49          HD21      ASN  49  21.020  -7.045  -0.843
  379   2HD2  ASN  49          HD22      ASN  49  21.572  -6.927  -2.474
  380    H    SER  50           HN       SER  50  25.564  -9.012   1.280
  381    HA   SER  50           HA       SER  50  27.871  -8.413  -0.382
  382   1HB   SER  50          HB2       SER  50  28.138  -9.538   1.829
  383   2HB   SER  50          HB1       SER  50  27.230 -10.918   1.210
  384    HG   SER  50           HG       SER  50  29.293 -11.469   0.846
  385    H    ASP  51           HN       ASP  51  25.704  -8.384  -1.896
  386    HA   ASP  51           HA       ASP  51  25.722 -10.897  -3.466
  387   1HB   ASP  51          HB2       ASP  51  23.412  -9.012  -2.970
  388   2HB   ASP  51          HB1       ASP  51  23.390 -10.360  -4.104
  389    H    GLY  52           HN       GLY  52  25.348  -7.372  -3.458
  390   1HA   GLY  52          HA2       GLY  52  26.967  -6.429  -5.263
  391   2HA   GLY  52          HA1       GLY  52  25.898  -7.317  -6.340
  392    H    GLU  53           HN       GLU  53  24.050  -6.411  -3.849
  393    HA   GLU  53           HA       GLU  53  23.544  -3.652  -4.633
  394   1HB   GLU  53          HB2       GLU  53  21.284  -4.007  -5.347
  395   2HB   GLU  53          HB1       GLU  53  22.335  -5.055  -6.289
  396   1HG   GLU  53          HG2       GLU  53  21.746  -6.912  -4.742
  397   2HG   GLU  53          HG1       GLU  53  20.576  -5.841  -3.981
  398    H    TRP  54           HN       TRP  54  20.820  -3.770  -3.662
  399    HA   TRP  54           HA       TRP  54  21.382  -3.704  -0.802
  400   1HB   TRP  54          HB2       TRP  54  19.163  -2.430  -2.411
  401   2HB   TRP  54          HB1       TRP  54  19.466  -2.185  -0.698
  402    HD1  TRP  54           HD1      TRP  54  20.577  -1.003  -4.106
  403    HE1  TRP  54           HE1      TRP  54  22.328   0.869  -3.822
  404    HE3  TRP  54           HE3      TRP  54  21.395  -1.439   0.897
  405    HZ2  TRP  54           HZ2      TRP  54  23.858   2.006  -1.728
  406    HZ3  TRP  54           HZ3      TRP  54  23.012   0.068   1.978
  407    HH2  TRP  54           HH2      TRP  54  24.215   1.751   0.689
  408    H    VAL  55           HN       VAL  55  20.609  -5.224   0.448
  409    HA   VAL  55           HA       VAL  55  18.342  -6.912  -0.418
  410    HB   VAL  55           HB       VAL  55  20.826  -7.429   1.078
  411   1HG1  VAL  55          HG11      VAL  55  19.351  -7.485   2.973
  412   2HG1  VAL  55          HG12      VAL  55  19.807  -9.134   2.547
  413   3HG1  VAL  55          HG13      VAL  55  18.215  -8.516   2.105
  414   1HG2  VAL  55          HG21      VAL  55  20.400  -8.567  -0.981
  415   2HG2  VAL  55          HG22      VAL  55  18.835  -9.137  -0.402
  416   3HG2  VAL  55          HG23      VAL  55  20.321  -9.756   0.320
  417    H    TYR  56           HN       TYR  56  16.674  -7.368   1.121
  418    HA   TYR  56           HA       TYR  56  16.522  -6.334   3.651
  419   1HB   TYR  56          HB2       TYR  56  15.021  -4.300   3.236
  420   2HB   TYR  56          HB1       TYR  56  16.731  -4.095   2.865
  421    HD1  TYR  56           HD1      TYR  56  17.397  -3.389   0.732
  422    HD2  TYR  56           HD2      TYR  56  13.454  -4.883   1.287
  423    HE1  TYR  56           HE1      TYR  56  16.827  -2.722  -1.564
  424    HE2  TYR  56           HE2      TYR  56  12.872  -4.221  -1.007
  425    HH   TYR  56           HH       TYR  56  15.216  -3.289  -3.300
  426    H    ASN  57           HN       ASN  57  14.113  -5.949   4.375
  427    HA   ASN  57           HA       ASN  57  12.589  -8.156   3.295
  428   1HB   ASN  57          HB2       ASN  57  11.056  -7.752   5.154
  429   2HB   ASN  57          HB1       ASN  57  12.720  -7.799   5.732
  430   1HD2  ASN  57          HD21      ASN  57  10.265  -6.538   6.801
  431   2HD2  ASN  57          HD22      ASN  57  10.681  -4.881   7.051
  432    H    THR  58           HN       THR  58  10.129  -7.751   3.091
  433    HA   THR  58           HA       THR  58   9.815  -5.670   1.092
  434    HB   THR  58           HB       THR  58   7.737  -7.661   2.010
  435    HG1  THR  58           HG1      THR  58   9.537  -8.810   1.254
  436   1HG2  THR  58          HG21      THR  58   6.766  -7.262  -0.193
  437   2HG2  THR  58          HG22      THR  58   8.062  -6.126  -0.570
  438   3HG2  THR  58          HG23      THR  58   6.905  -5.751   0.707
  439    H    PHE  59           HN       PHE  59   9.920  -3.829   2.495
  440    HA   PHE  59           HA       PHE  59   8.221  -3.450   4.698
  441   1HB   PHE  59          HB2       PHE  59   8.618  -0.908   3.987
  442   2HB   PHE  59          HB1       PHE  59   9.859  -1.874   4.770
  443    HD1  PHE  59           HD1      PHE  59  11.766  -2.717   3.509
  444    HD2  PHE  59           HD2      PHE  59   8.841  -0.205   1.706
  445    HE1  PHE  59           HE1      PHE  59  13.315  -2.248   1.657
  446    HE2  PHE  59           HE2      PHE  59  10.385   0.263  -0.151
  447    HZ   PHE  59           HZ       PHE  59  12.624  -0.757  -0.176
  448    H    CYS  60           HN       CYS  60   7.746  -2.893   1.252
  449    HA   CYS  60           HA       CYS  60   4.895  -2.667   1.701
  450   1HB   CYS  60          HB2       CYS  60   6.506  -0.407   0.527
  451   2HB   CYS  60          HB1       CYS  60   4.774  -0.579   0.260
  452    H    ILE  61           HN       ILE  61   3.787  -2.244  -0.594
  453    HA   ILE  61           HA       ILE  61   5.185  -3.377  -2.828
  454    HB   ILE  61           HB       ILE  61   3.377  -5.244  -3.023
  455   1HG1  ILE  61          HG12      ILE  61   3.377  -4.593  -0.079
  456   2HG1  ILE  61          HG11      ILE  61   1.998  -4.768  -1.157
  457   1HG2  ILE  61          HG21      ILE  61   5.748  -5.684  -2.906
  458   2HG2  ILE  61          HG22      ILE  61   4.880  -6.822  -1.875
  459   3HG2  ILE  61          HG23      ILE  61   5.733  -5.455  -1.158
  460   1HD1  ILE  61          HD11      ILE  61   2.076  -6.665   0.272
  461   2HD1  ILE  61          HD12      ILE  61   3.773  -6.952  -0.108
  462   3HD1  ILE  61          HD13      ILE  61   2.541  -7.189  -1.347
  463    H    TYR  62           HN       TYR  62   2.058  -2.507  -1.440
  464    HA   TYR  62           HA       TYR  62   0.269  -1.335  -2.292
  465   1HB   TYR  62          HB2       TYR  62   2.456  -0.242  -3.590
  466   2HB   TYR  62          HB1       TYR  62   1.346  -0.643  -4.900
  467    HD1  TYR  62           HD1      TYR  62  -1.276  -0.020  -3.940
  468    HD2  TYR  62           HD2      TYR  62   2.387   1.940  -3.075
  469    HE1  TYR  62           HE1      TYR  62  -2.507   2.049  -3.418
  470    HE2  TYR  62           HE2      TYR  62   1.190   4.006  -2.537
  471    HH   TYR  62           HH       TYR  62  -0.856   5.068  -2.858
  472    H    LYS  63           HN       LYS  63  -1.411  -2.379  -2.812
  473    HA   LYS  63           HA       LYS  63  -1.905  -3.486  -5.387
  474   1HB   LYS  63          HB2       LYS  63  -2.299  -5.800  -4.695
  475   2HB   LYS  63          HB1       LYS  63  -0.617  -5.359  -4.439
  476   1HG   LYS  63          HG2       LYS  63  -1.140  -4.957  -2.052
  477   2HG   LYS  63          HG1       LYS  63  -2.771  -5.561  -2.350
  478   1HD   LYS  63          HD2       LYS  63  -1.609  -7.408  -1.506
  479   2HD   LYS  63          HD1       LYS  63  -1.630  -7.660  -3.247
  480   1HE   LYS  63          HE2       LYS  63   0.626  -6.686  -3.395
  481   2HE   LYS  63          HE1       LYS  63   0.649  -6.563  -1.636
  482   1HZ   LYS  63          HZ1       LYS  63   0.421  -9.075  -3.201
  483   2HZ   LYS  63          HZ2       LYS  63   0.393  -8.972  -1.512
  484   3HZ   LYS  63          HZ3       LYS  63   1.792  -8.546  -2.361
  485    H    ARG  64           HN       ARG  64  -3.871  -2.628  -5.651
  486    HA   ARG  64           HA       ARG  64  -5.649  -2.427  -3.338
  487   1HB   ARG  64          HB2       ARG  64  -6.940  -0.848  -4.776
  488   2HB   ARG  64          HB1       ARG  64  -5.296  -0.327  -4.439
  489   1HG   ARG  64          HG2       ARG  64  -5.911  -1.823  -6.947
  490   2HG   ARG  64          HG1       ARG  64  -6.252  -0.095  -6.829
  491   1HD   ARG  64          HD2       ARG  64  -3.889   0.280  -6.181
  492   2HD   ARG  64          HD1       ARG  64  -3.578  -1.438  -6.433
  493    HE   ARG  64           HE       ARG  64  -4.730  -0.377  -8.760
  494   1HH1  ARG  64          HH11      ARG  64  -1.767  -0.204  -6.931
  495   2HH1  ARG  64          HH12      ARG  64  -0.788   0.168  -8.311
  496   1HH2  ARG  64          HH21      ARG  64  -3.443   0.116 -10.580
  497   2HH2  ARG  64          HH22      ARG  64  -1.739   0.350 -10.381
  498    H    CYS  65           HN       CYS  65  -8.080  -2.281  -4.428
  499    HA   CYS  65           HA       CYS  65  -8.459  -4.908  -5.698
  500   1HB   CYS  65          HB2       CYS  65 -10.840  -4.250  -4.432
  501   2HB   CYS  65          HB1       CYS  65  -9.657  -5.417  -3.862
  502    H    ARG  66           HN       ARG  66 -10.399  -5.064  -7.068
  503    HA   ARG  66           HA       ARG  66 -10.558  -2.873  -8.816
  504   1HB   ARG  66          HB2       ARG  66 -11.070  -5.267  -9.430
  505   2HB   ARG  66          HB1       ARG  66 -12.582  -5.112  -8.561
  506   1HG   ARG  66          HG2       ARG  66 -12.053  -3.074 -10.618
  507   2HG   ARG  66          HG1       ARG  66 -12.326  -4.722 -11.193
  508   1HD   ARG  66          HD2       ARG  66 -14.375  -4.794  -9.808
  509   2HD   ARG  66          HD1       ARG  66 -14.129  -3.091  -9.426
  510    HE   ARG  66           HE       ARG  66 -14.117  -3.144 -12.138
  511   1HH1  ARG  66          HH11      ARG  66 -16.339  -4.301  -9.715
  512   2HH1  ARG  66          HH12      ARG  66 -17.736  -4.095 -10.716
  513   1HH2  ARG  66          HH21      ARG  66 -15.951  -2.871 -13.460
  514   2HH2  ARG  66          HH22      ARG  66 -17.517  -3.283 -12.843
  515    H    HIS  67           HN       HIS  67 -12.086  -1.265  -9.044
  516    HA   HIS  67           HA       HIS  67 -13.339  -0.363  -6.685
  517   1HB   HIS  67          HB2       HIS  67 -14.012   0.521  -9.491
  518   2HB   HIS  67          HB1       HIS  67 -14.118   1.453  -8.005
  519    HD1  HIS  67           HD1      HIS  67 -12.030   1.056 -10.859
  520    HD2  HIS  67           HD2      HIS  67 -11.359   1.802  -6.826
  521    HE1  HIS  67           HE1      HIS  67  -9.710   2.018 -10.729
  522    HE2  HIS  67           HE2      HIS  67  -9.323   2.462  -8.279
  523    HA   PRO  68           HA       PRO  68 -16.845  -3.198  -6.880
  524   1HB   PRO  68          HB2       PRO  68 -18.361  -1.661  -5.105
  525   2HB   PRO  68          HB1       PRO  68 -17.308  -3.004  -4.665
  526   1HG   PRO  68          HG2       PRO  68 -16.796  -0.074  -4.543
  527   2HG   PRO  68          HG1       PRO  68 -16.224  -1.366  -3.471
  528   1HD   PRO  68          HD2       PRO  68 -14.600  -0.221  -5.282
  529   2HD   PRO  68          HD1       PRO  68 -14.482  -1.950  -4.887
  530    H    GLY  69           HN       GLY  69 -16.807   0.198  -7.532
  531   1HA   GLY  69          HA2       GLY  69 -17.934   1.141  -9.385
  532   2HA   GLY  69          HA1       GLY  69 -19.083  -0.186  -9.333
  533    H    GLU  70           HN       GLU  70 -19.537   2.634  -9.462
  534    HA   GLU  70           HA       GLU  70 -20.264   4.097  -7.377
  535   1HB   GLU  70          HB2       GLU  70 -20.799   4.738  -9.665
  536   2HB   GLU  70          HB1       GLU  70 -22.066   3.521  -9.731
  537   1HG   GLU  70          HG2       GLU  70 -23.328   4.694  -8.033
  538   2HG   GLU  70          HG1       GLU  70 -22.036   5.882  -7.864
  539    H    LEU  71           HN       LEU  71 -21.692   4.285  -5.829
  540    HA   LEU  71           HA       LEU  71 -23.302   1.927  -5.148
  541   1HB   LEU  71          HB2       LEU  71 -21.640   3.312  -3.579
  542   2HB   LEU  71          HB1       LEU  71 -23.066   4.303  -3.350
  543    HG   LEU  71           HG       LEU  71 -22.801   1.368  -2.691
  544   1HD1  LEU  71          HD11      LEU  71 -22.824   1.998  -0.435
  545   2HD1  LEU  71          HD12      LEU  71 -23.320   3.646  -0.814
  546   3HD1  LEU  71          HD13      LEU  71 -21.689   3.104  -1.210
  547   1HD2  LEU  71          HD21      LEU  71 -25.037   1.571  -3.314
  548   2HD2  LEU  71          HD22      LEU  71 -25.165   3.208  -2.669
  549   3HD2  LEU  71          HD23      LEU  71 -25.067   1.832  -1.567
  550    H    ARG  72           HN       ARG  72 -25.210   2.097  -6.289
  551    HA   ARG  72           HA       ARG  72 -26.483   4.583  -6.818
  552   1HB   ARG  72          HB2       ARG  72 -26.958   2.531  -8.157
  553   2HB   ARG  72          HB1       ARG  72 -27.716   1.808  -6.742
  554   1HG   ARG  72          HG2       ARG  72 -29.440   3.516  -6.766
  555   2HG   ARG  72          HG1       ARG  72 -28.671   4.291  -8.153
  556   1HD   ARG  72          HD2       ARG  72 -30.604   2.861  -8.763
  557   2HD   ARG  72          HD1       ARG  72 -29.094   2.370  -9.532
  558    HE   ARG  72           HE       ARG  72 -29.356   0.913  -7.173
  559   1HH1  ARG  72          HH11      ARG  72 -30.976   1.228 -10.245
  560   2HH1  ARG  72          HH12      ARG  72 -31.545  -0.408 -10.255
  561   1HH2  ARG  72          HH21      ARG  72 -30.098  -1.237  -7.183
  562   2HH2  ARG  72          HH22      ARG  72 -31.045  -1.809  -8.515
  563    H    ASN  73           HN       ASN  73 -27.623   5.842  -5.682
  564    HA   ASN  73           HA       ASN  73 -28.558   6.803  -3.838
  565   1HB   ASN  73          HB2       ASN  73 -29.573   3.975  -3.369
  566   2HB   ASN  73          HB1       ASN  73 -30.145   5.406  -2.516
  567   1HD2  ASN  73          HD21      ASN  73 -30.222   3.605  -5.455
  568   2HD2  ASN  73          HD22      ASN  73 -31.473   4.513  -6.225
  569    H    GLY  74           HN       GLY  74 -25.946   6.282  -3.703
  570   1HA   GLY  74          HA2       GLY  74 -25.448   6.033  -0.946
  571   2HA   GLY  74          HA1       GLY  74 -24.964   4.560  -1.767
  572    H    GLN  75           HN       GLN  75 -22.993   5.717  -0.547
  573    HA   GLN  75           HA       GLN  75 -21.466   7.007  -2.691
  574   1HB   GLN  75          HB2       GLN  75 -22.268   8.690  -0.991
  575   2HB   GLN  75          HB1       GLN  75 -21.288   7.852   0.204
  576   1HG   GLN  75          HG2       GLN  75 -19.277   8.369  -1.010
  577   2HG   GLN  75          HG1       GLN  75 -20.213   9.088  -2.320
  578   1HE2  GLN  75          HE21      GLN  75 -19.226  11.075  -2.131
  579   2HE2  GLN  75          HE22      GLN  75 -19.519  12.141  -0.803
  580    H    VAL  76           HN       VAL  76 -19.440   6.277  -2.945
  581    HA   VAL  76           HA       VAL  76 -18.562   4.138  -1.125
  582    HB   VAL  76           HB       VAL  76 -17.540   4.719  -3.911
  583   1HG1  VAL  76          HG11      VAL  76 -15.918   3.544  -2.586
  584   2HG1  VAL  76          HG12      VAL  76 -16.640   2.407  -3.725
  585   3HG1  VAL  76          HG13      VAL  76 -17.135   2.395  -2.033
  586   1HG2  VAL  76          HG21      VAL  76 -18.886   2.875  -4.687
  587   2HG2  VAL  76          HG22      VAL  76 -19.928   4.059  -3.898
  588   3HG2  VAL  76          HG23      VAL  76 -19.482   2.576  -3.055
  589    H    GLU  77           HN       GLU  77 -17.242   4.923   0.422
  590    HA   GLU  77           HA       GLU  77 -15.760   7.304   0.156
  591   1HB   GLU  77          HB2       GLU  77 -16.486   6.495   2.328
  592   2HB   GLU  77          HB1       GLU  77 -15.514   5.042   2.144
  593   1HG   GLU  77          HG2       GLU  77 -13.483   6.340   2.232
  594   2HG   GLU  77          HG1       GLU  77 -14.408   7.838   2.290
  595    H    ILE  78           HN       ILE  78 -14.598   6.974  -1.816
  596    HA   ILE  78           HA       ILE  78 -12.325   5.127  -1.605
  597    HB   ILE  78           HB       ILE  78 -14.019   5.823  -3.794
  598   1HG1  ILE  78          HG12      ILE  78 -12.610   4.082  -4.953
  599   2HG1  ILE  78          HG11      ILE  78 -11.585   4.056  -3.521
  600   1HG2  ILE  78          HG21      ILE  78 -12.421   6.424  -5.514
  601   2HG2  ILE  78          HG22      ILE  78 -11.123   6.480  -4.320
  602   3HG2  ILE  78          HG23      ILE  78 -12.441   7.652  -4.248
  603   1HD1  ILE  78          HD11      ILE  78 -13.498   3.345  -2.176
  604   2HD1  ILE  78          HD12      ILE  78 -13.150   2.218  -3.490
  605   3HD1  ILE  78          HD13      ILE  78 -14.503   3.342  -3.625
  606    H    LYS  79           HN       LYS  79 -10.344   5.907  -1.239
  607    HA   LYS  79           HA       LYS  79  -9.576   8.550  -2.069
  608   1HB   LYS  79          HB2       LYS  79  -8.998   9.354   0.193
  609   2HB   LYS  79          HB1       LYS  79 -10.728   9.129  -0.011
  610   1HG   LYS  79          HG2       LYS  79  -8.940   7.100   1.308
  611   2HG   LYS  79          HG1       LYS  79  -9.787   8.374   2.184
  612   1HD   LYS  79          HD2       LYS  79 -11.916   7.496   1.483
  613   2HD   LYS  79          HD1       LYS  79 -11.122   6.306   0.445
  614   1HE   LYS  79          HE2       LYS  79 -11.673   5.102   2.357
  615   2HE   LYS  79          HE1       LYS  79  -9.973   5.490   2.576
  616   1HZ   LYS  79          HZ1       LYS  79 -10.564   7.273   4.045
  617   2HZ   LYS  79          HZ2       LYS  79 -11.304   5.853   4.590
  618   3HZ   LYS  79          HZ3       LYS  79 -12.214   7.022   3.774
  619    H    THR  80           HN       THR  80  -8.747   5.823   0.059
  620    HA   THR  80           HA       THR  80  -5.929   6.221  -0.336
  621    HB   THR  80           HB       THR  80  -5.621   4.330   1.098
  622    HG1  THR  80           HG1      THR  80  -8.018   3.579   0.071
  623   1HG2  THR  80          HG21      THR  80  -7.195   4.916   3.008
  624   2HG2  THR  80          HG22      THR  80  -7.934   6.081   1.905
  625   3HG2  THR  80          HG23      THR  80  -6.236   6.242   2.351
  626    H    ASP  81           HN       ASP  81  -8.003   5.408  -2.514
  627    HA   ASP  81           HA       ASP  81  -7.904   4.270  -4.489
  628   1HB   ASP  81          HB2       ASP  81  -5.106   3.761  -3.526
  629   2HB   ASP  81          HB1       ASP  81  -5.697   3.223  -5.093
  630    H    LEU  82           HN       LEU  82  -8.076   2.916  -1.623
  631    HA   LEU  82           HA       LEU  82  -8.800   0.898  -0.853
  632   1HB   LEU  82          HB2       LEU  82  -8.784   0.100  -3.751
  633   2HB   LEU  82          HB1       LEU  82  -9.597  -0.753  -2.452
  634    HG   LEU  82           HG       LEU  82 -10.659   1.790  -2.300
  635   1HD1  LEU  82          HD11      LEU  82 -10.201   1.050  -5.183
  636   2HD1  LEU  82          HD12      LEU  82  -9.717   2.533  -4.355
  637   3HD1  LEU  82          HD13      LEU  82 -11.425   2.201  -4.646
  638   1HD2  LEU  82          HD21      LEU  82 -11.861  -0.270  -2.034
  639   2HD2  LEU  82          HD22      LEU  82 -11.662  -0.642  -3.746
  640   3HD2  LEU  82          HD23      LEU  82 -12.654   0.730  -3.250
  641    H    SER  83           HN       SER  83  -6.303   1.252  -0.404
  642    HA   SER  83           HA       SER  83  -4.614  -0.738  -1.650
  643   1HB   SER  83          HB2       SER  83  -4.055   1.024   0.751
  644   2HB   SER  83          HB1       SER  83  -2.865   0.099  -0.166
  645    HG   SER  83           HG       SER  83  -2.915   2.282  -0.821
  646    H    PHE  84           HN       PHE  84  -4.280  -2.755  -0.945
  647    HA   PHE  84           HA       PHE  84  -5.847  -4.147   0.759
  648   1HB   PHE  84          HB2       PHE  84  -4.284  -5.310  -0.624
  649   2HB   PHE  84          HB1       PHE  84  -2.913  -4.546   0.172
  650    HD1  PHE  84           HD1      PHE  84  -2.091  -5.346   2.280
  651    HD2  PHE  84           HD2      PHE  84  -5.500  -7.117   0.451
  652    HE1  PHE  84           HE1      PHE  84  -1.921  -7.256   3.822
  653    HE2  PHE  84           HE2      PHE  84  -5.337  -9.028   1.989
  654    HZ   PHE  84           HZ       PHE  84  -3.547  -9.100   3.679
  655    H    GLY  85           HN       GLY  85  -6.017  -4.583   2.917
  656   1HA   GLY  85          HA2       GLY  85  -5.382  -4.595   5.171
  657   2HA   GLY  85          HA1       GLY  85  -3.992  -3.598   4.763
  658    H    SER  86           HN       SER  86  -7.493  -3.161   4.250
  659    HA   SER  86           HA       SER  86  -7.824  -1.183   6.226
  660   1HB   SER  86          HB2       SER  86  -6.317   0.047   4.626
  661   2HB   SER  86          HB1       SER  86  -7.619  -0.052   3.440
  662    HG   SER  86           HG       SER  86  -8.720   0.869   5.623
  663    H    GLN  87           HN       GLN  87  -9.482   0.305   4.039
  664    HA   GLN  87           HA       GLN  87 -11.486  -1.342   3.083
  665   1HB   GLN  87          HB2       GLN  87 -13.271  -0.673   4.875
  666   2HB   GLN  87          HB1       GLN  87 -12.249  -2.079   5.128
  667   1HG   GLN  87          HG2       GLN  87 -12.429  -0.819   7.165
  668   2HG   GLN  87          HG1       GLN  87 -10.780  -0.734   6.556
  669   1HE2  GLN  87          HE21      GLN  87 -13.483   1.102   5.289
  670   2HE2  GLN  87          HE22      GLN  87 -12.908   2.652   5.790
  671    H    ILE  88           HN       ILE  88 -13.402  -0.240   2.387
  672    HA   ILE  88           HA       ILE  88 -13.181   2.696   2.360
  673    HB   ILE  88           HB       ILE  88 -14.161   2.603   0.030
  674   1HG1  ILE  88          HG12      ILE  88 -12.998  -0.073  -0.401
  675   2HG1  ILE  88          HG11      ILE  88 -14.490  -0.057   0.533
  676   1HG2  ILE  88          HG21      ILE  88 -11.840   3.186   0.412
  677   2HG2  ILE  88          HG22      ILE  88 -11.983   2.200  -1.043
  678   3HG2  ILE  88          HG23      ILE  88 -11.395   1.480   0.455
  679   1HD1  ILE  88          HD11      ILE  88 -14.093   1.083  -2.220
  680   2HD1  ILE  88          HD12      ILE  88 -15.580   1.192  -1.279
  681   3HD1  ILE  88          HD13      ILE  88 -14.978  -0.382  -1.798
  682    H    GLU  89           HN       GLU  89 -14.728   2.875   3.981
  683    HA   GLU  89           HA       GLU  89 -17.110   1.546   4.266
  684   1HB   GLU  89          HB2       GLU  89 -16.179   4.290   4.997
  685   2HB   GLU  89          HB1       GLU  89 -17.856   3.852   5.263
  686   1HG   GLU  89          HG2       GLU  89 -17.171   1.984   6.649
  687   2HG   GLU  89          HG1       GLU  89 -15.477   2.383   6.364
  688    H    PHE  90           HN       PHE  90 -19.340   2.598   4.040
  689    HA   PHE  90           HA       PHE  90 -19.583   3.846   1.386
  690   1HB   PHE  90          HB2       PHE  90 -21.487   1.815   2.565
  691   2HB   PHE  90          HB1       PHE  90 -21.580   2.537   0.963
  692    HD1  PHE  90           HD1      PHE  90 -20.135   1.801  -0.827
  693    HD2  PHE  90           HD2      PHE  90 -19.822   0.123   3.077
  694    HE1  PHE  90           HE1      PHE  90 -18.773  -0.034  -1.729
  695    HE2  PHE  90           HE2      PHE  90 -18.458  -1.715   2.176
  696    HZ   PHE  90           HZ       PHE  90 -17.931  -1.795  -0.230
  697    H    SER  91           HN       SER  91 -22.064   4.595   1.168
  698    HA   SER  91           HA       SER  91 -23.127   5.697   3.604
  699   1HB   SER  91          HB2       SER  91 -22.022   7.623   1.553
  700   2HB   SER  91          HB1       SER  91 -22.898   8.047   3.024
  701    HG   SER  91           HG       SER  91 -20.520   8.133   3.112
  702    H    CYS  92           HN       CYS  92 -25.211   5.286   3.328
  703    HA   CYS  92           HA       CYS  92 -26.367   5.374   0.663
  704   1HB   CYS  92          HB2       CYS  92 -27.550   4.629   3.347
  705   2HB   CYS  92          HB1       CYS  92 -28.489   4.689   1.861
  706    H    SER  93           HN       SER  93 -27.213   7.152  -0.183
  707    HA   SER  93           HA       SER  93 -27.193   9.641   0.986
  708   1HB   SER  93          HB2       SER  93 -28.795   8.534  -1.302
  709   2HB   SER  93          HB1       SER  93 -28.951  10.221  -0.805
  710    HG   SER  93           HG       SER  93 -27.030  10.635  -1.598
  711    H    GLU  94           HN       GLU  94 -29.113  11.100   1.231
  712    HA   GLU  94           HA       GLU  94 -30.539  10.574   3.491
  713   1HB   GLU  94          HB2       GLU  94 -30.434  12.801   2.638
  714   2HB   GLU  94          HB1       GLU  94 -31.211  12.332   1.133
  715   1HG   GLU  94          HG2       GLU  94 -32.791  13.529   2.421
  716   2HG   GLU  94          HG1       GLU  94 -33.268  11.832   2.429
  717    H    GLY  95           HN       GLY  95 -32.658   9.928   3.961
  718   1HA   GLY  95          HA2       GLY  95 -34.663   8.825   3.666
  719   2HA   GLY  95          HA1       GLY  95 -34.408   8.907   1.931
  720    H    PHE  96           HN       PHE  96 -31.760   7.555   2.109
  721    HA   PHE  96           HA       PHE  96 -32.812   4.834   2.530
  722   1HB   PHE  96          HB2       PHE  96 -30.550   5.557   0.661
  723   2HB   PHE  96          HB1       PHE  96 -31.449   4.045   0.739
  724    HD1  PHE  96           HD1      PHE  96 -33.770   3.948  -0.098
  725    HD2  PHE  96           HD2      PHE  96 -31.322   7.386  -0.626
  726    HE1  PHE  96           HE1      PHE  96 -35.279   4.743  -1.869
  727    HE2  PHE  96           HE2      PHE  96 -32.827   8.190  -2.397
  728    HZ   PHE  96           HZ       PHE  96 -34.809   6.869  -3.021
  729    H    PHE  97           HN       PHE  97 -31.665   3.496   3.850
  730    HA   PHE  97           HA       PHE  97 -29.214   4.630   5.009
  731   1HB   PHE  97          HB2       PHE  97 -29.658   3.452   7.032
  732   2HB   PHE  97          HB1       PHE  97 -31.149   4.252   6.560
  733    HD1  PHE  97           HD1      PHE  97 -32.749   2.739   5.067
  734    HD2  PHE  97           HD2      PHE  97 -29.784   1.292   7.756
  735    HE1  PHE  97           HE1      PHE  97 -33.965   0.609   5.256
  736    HE2  PHE  97           HE2      PHE  97 -30.995  -0.840   7.951
  737    HZ   PHE  97           HZ       PHE  97 -33.090  -1.184   6.701
  738    H    LEU  98           HN       LEU  98 -27.767   2.916   5.960
  739    HA   LEU  98           HA       LEU  98 -26.923   1.234   3.759
  740   1HB   LEU  98          HB2       LEU  98 -25.487   2.747   5.312
  741   2HB   LEU  98          HB1       LEU  98 -25.590   1.418   6.444
  742    HG   LEU  98           HG       LEU  98 -23.498   1.356   5.207
  743   1HD1  LEU  98          HD11      LEU  98 -23.557  -0.936   4.447
  744   2HD1  LEU  98          HD12      LEU  98 -25.317  -0.881   4.342
  745   3HD1  LEU  98          HD13      LEU  98 -24.525  -0.761   5.912
  746   1HD2  LEU  98          HD21      LEU  98 -24.286   2.486   3.178
  747   2HD2  LEU  98          HD22      LEU  98 -25.167   1.025   2.727
  748   3HD2  LEU  98          HD23      LEU  98 -23.405   0.997   2.829
  749    H    ILE  99           HN       ILE  99 -27.016  -0.926   3.681
  750    HA   ILE  99           HA       ILE  99 -27.427  -2.578   6.034
  751    HB   ILE  99           HB       ILE  99 -29.290  -3.340   3.915
  752   1HG1  ILE  99          HG12      ILE  99 -30.127  -0.969   5.543
  753   2HG1  ILE  99          HG11      ILE  99 -29.347  -0.753   3.982
  754   1HG2  ILE  99          HG21      ILE  99 -29.144  -4.376   6.143
  755   2HG2  ILE  99          HG22      ILE  99 -30.759  -3.765   5.783
  756   3HG2  ILE  99          HG23      ILE  99 -29.695  -2.862   6.862
  757   1HD1  ILE  99          HD11      ILE  99 -31.666  -0.640   3.597
  758   2HD1  ILE  99          HD12      ILE  99 -31.972  -2.082   4.566
  759   3HD1  ILE  99          HD13      ILE  99 -31.144  -2.223   3.013
  760    H    GLY 100           HN       GLY 100 -25.799  -3.867   5.733
  761   1HA   GLY 100          HA2       GLY 100 -25.559  -5.986   4.107
  762   2HA   GLY 100          HA1       GLY 100 -24.915  -4.687   3.100
  763    H    SER 101           HN       SER 101 -23.508  -3.168   4.571
  764    HA   SER 101           HA       SER 101 -21.899  -3.981   6.619
  765   1HB   SER 101          HB2       SER 101 -21.207  -5.886   5.178
  766   2HB   SER 101          HB1       SER 101 -20.658  -4.741   3.953
  767    HG   SER 101           HG       SER 101 -19.233  -5.688   5.881
  768    H    THR 102           HN       THR 102 -21.731  -1.832   7.115
  769    HA   THR 102           HA       THR 102 -21.489   0.220   5.209
  770    HB   THR 102           HB       THR 102 -21.003   1.707   7.073
  771    HG1  THR 102           HG1      THR 102 -20.509  -0.727   8.451
  772   1HG2  THR 102          HG21      THR 102 -23.312   1.138   6.891
  773   2HG2  THR 102          HG22      THR 102 -22.901   1.085   8.605
  774   3HG2  THR 102          HG23      THR 102 -23.055  -0.414   7.688
  775    H    THR 103           HN       THR 103 -19.267  -2.056   6.240
  776    HA   THR 103           HA       THR 103 -17.025  -0.363   5.355
  777    HB   THR 103           HB       THR 103 -16.565  -2.774   7.055
  778    HG1  THR 103           HG1      THR 103 -16.606  -1.172   8.859
  779   1HG2  THR 103          HG21      THR 103 -14.645  -1.358   7.802
  780   2HG2  THR 103          HG22      THR 103 -15.154  -0.150   6.620
  781   3HG2  THR 103          HG23      THR 103 -14.633  -1.745   6.081
  782    H    SER 104           HN       SER 104 -15.269  -1.563   4.255
  783    HA   SER 104           HA       SER 104 -15.941  -4.168   3.173
  784   1HB   SER 104          HB2       SER 104 -15.419  -3.319   0.828
  785   2HB   SER 104          HB1       SER 104 -16.976  -2.810   1.482
  786    HG   SER 104           HG       SER 104 -16.287  -0.803   1.607
  787    H    ARG 105           HN       ARG 105 -14.130  -5.300   3.506
  788    HA   ARG 105           HA       ARG 105 -11.582  -3.883   3.797
  789   1HB   ARG 105          HB2       ARG 105 -12.306  -6.751   4.428
  790   2HB   ARG 105          HB1       ARG 105 -10.781  -5.964   4.816
  791   1HG   ARG 105          HG2       ARG 105 -11.978  -4.389   6.267
  792   2HG   ARG 105          HG1       ARG 105 -13.491  -5.215   5.897
  793   1HD   ARG 105          HD2       ARG 105 -12.698  -7.242   6.921
  794   2HD   ARG 105          HD1       ARG 105 -11.097  -6.542   7.160
  795    HE   ARG 105           HE       ARG 105 -12.593  -4.840   8.543
  796   1HH1  ARG 105          HH11      ARG 105 -12.645  -8.326   8.469
  797   2HH1  ARG 105          HH12      ARG 105 -13.199  -8.478  10.102
  798   1HH2  ARG 105          HH21      ARG 105 -13.321  -5.033  10.690
  799   2HH2  ARG 105          HH22      ARG 105 -13.585  -6.606  11.366
  800    H    CYS 106           HN       CYS 106  -9.776  -4.287   2.616
  801    HA   CYS 106           HA       CYS 106 -10.189  -5.751   0.120
  802   1HB   CYS 106          HB2       CYS 106  -9.384  -3.306   0.187
  803   2HB   CYS 106          HB1       CYS 106  -7.847  -3.954   0.753
  804    H    GLU 107           HN       GLU 107  -9.431  -7.758   0.047
  805    HA   GLU 107           HA       GLU 107  -7.085  -8.435   1.693
  806   1HB   GLU 107          HB2       GLU 107  -9.361  -9.389   2.358
  807   2HB   GLU 107          HB1       GLU 107  -9.264 -10.359   0.893
  808   1HG   GLU 107          HG2       GLU 107  -8.563 -11.631   2.830
  809   2HG   GLU 107          HG1       GLU 107  -7.224 -11.408   1.705
  810    H    VAL 108           HN       VAL 108  -6.281 -10.720   0.822
  811    HA   VAL 108           HA       VAL 108  -6.178 -10.679  -2.116
  812    HB   VAL 108           HB       VAL 108  -3.754 -10.796  -0.323
  813   1HG1  VAL 108          HG11      VAL 108  -3.590 -10.852  -3.305
  814   2HG1  VAL 108          HG12      VAL 108  -3.916 -12.357  -2.435
  815   3HG1  VAL 108          HG13      VAL 108  -2.440 -11.447  -2.101
  816   1HG2  VAL 108          HG21      VAL 108  -4.804  -8.559  -0.918
  817   2HG2  VAL 108          HG22      VAL 108  -4.322  -8.895  -2.583
  818   3HG2  VAL 108          HG23      VAL 108  -3.099  -8.761  -1.319
  819    H    GLN 109           HN       GLN 109  -6.453 -12.582  -3.010
  820    HA   GLN 109           HA       GLN 109  -6.053 -14.967  -1.342
  821   1HB   GLN 109          HB2       GLN 109  -7.781 -15.000  -3.779
  822   2HB   GLN 109          HB1       GLN 109  -7.905 -15.966  -2.315
  823   1HG   GLN 109          HG2       GLN 109  -8.618 -13.937  -1.090
  824   2HG   GLN 109          HG1       GLN 109  -8.593 -13.051  -2.614
  825   1HE2  GLN 109          HE21      GLN 109 -10.805 -13.549  -0.800
  826   2HE2  GLN 109          HE22      GLN 109 -12.018 -14.361  -1.723
  827    H    ASP 110           HN       ASP 110  -4.015 -13.698  -2.988
  828    HA   ASP 110           HA       ASP 110  -2.607 -15.843  -3.905
  829   1HB   ASP 110          HB2       ASP 110  -4.428 -16.211  -5.541
  830   2HB   ASP 110          HB1       ASP 110  -4.133 -14.608  -6.207
  831    H    ARG 111           HN       ARG 111  -2.970 -13.380  -6.286
  832    HA   ARG 111           HA       ARG 111  -0.917 -11.699  -5.132
  833   1HB   ARG 111          HB2       ARG 111   0.569 -11.822  -7.003
  834   2HB   ARG 111          HB1       ARG 111   0.254 -13.472  -6.484
  835   1HG   ARG 111          HG2       ARG 111  -1.241 -13.839  -8.301
  836   2HG   ARG 111          HG1       ARG 111  -1.204 -12.131  -8.746
  837   1HD   ARG 111          HD2       ARG 111   1.209 -12.353  -9.235
  838   2HD   ARG 111          HD1       ARG 111   1.095 -14.077  -8.886
  839    HE   ARG 111           HE       ARG 111  -0.805 -13.641 -10.796
  840   1HH1  ARG 111          HH11      ARG 111   2.623 -13.061 -10.555
  841   2HH1  ARG 111          HH12      ARG 111   2.903 -13.242 -12.253
  842   1HH2  ARG 111          HH21      ARG 111  -0.443 -13.881 -13.036
  843   2HH2  ARG 111          HH22      ARG 111   1.161 -13.706 -13.664
  844    H    GLY 112           HN       GLY 112  -3.761 -12.116  -6.711
  845   1HA   GLY 112          HA2       GLY 112  -3.591  -9.510  -8.075
  846   2HA   GLY 112          HA1       GLY 112  -4.737 -10.778  -8.486
  847    H    VAL 113           HN       VAL 113  -4.205 -10.354  -5.179
  848    HA   VAL 113           HA       VAL 113  -5.565  -9.770  -3.467
  849    HB   VAL 113           HB       VAL 113  -5.014  -7.634  -3.342
  850   1HG1  VAL 113          HG11      VAL 113  -4.085  -7.713  -5.628
  851   2HG1  VAL 113          HG12      VAL 113  -4.705  -6.126  -5.163
  852   3HG1  VAL 113          HG13      VAL 113  -5.647  -7.163  -6.238
  853   1HG2  VAL 113          HG21      VAL 113  -6.768  -5.999  -3.774
  854   2HG2  VAL 113          HG22      VAL 113  -7.388  -7.454  -2.987
  855   3HG2  VAL 113          HG23      VAL 113  -7.651  -7.203  -4.715
  856    H    GLY 114           HN       GLY 114  -7.578  -9.849  -2.619
  857   1HA   GLY 114          HA2       GLY 114  -9.699 -10.278  -4.615
  858   2HA   GLY 114          HA1       GLY 114  -9.531 -11.262  -3.171
  859    H    TRP 115           HN       TRP 115 -11.815  -9.661  -4.069
  860    HA   TRP 115           HA       TRP 115 -11.957  -7.588  -2.021
  861   1HB   TRP 115          HB2       TRP 115 -13.094  -7.848  -4.633
  862   2HB   TRP 115          HB1       TRP 115 -14.403  -7.764  -3.464
  863    HD1  TRP 115           HD1      TRP 115 -12.876  -5.518  -5.643
  864    HE1  TRP 115           HE1      TRP 115 -12.731  -3.113  -4.726
  865    HE3  TRP 115           HE3      TRP 115 -13.642  -6.477  -0.677
  866    HZ2  TRP 115           HZ2      TRP 115 -12.908  -1.808  -2.251
  867    HZ3  TRP 115           HZ3      TRP 115 -13.639  -4.587   0.897
  868    HH2  TRP 115           HH2      TRP 115 -13.281  -2.300   0.127
  869    H    SER 116           HN       SER 116 -13.260  -7.752  -0.249
  870    HA   SER 116           HA       SER 116 -14.298 -10.350   0.394
  871   1HB   SER 116          HB2       SER 116 -14.362  -7.711   1.876
  872   2HB   SER 116          HB1       SER 116 -15.034  -9.207   2.524
  873    HG   SER 116           HG       SER 116 -13.093  -9.670   3.137
  874    H    HIS 117           HN       HIS 117 -15.818  -7.118   0.227
  875    HA   HIS 117           HA       HIS 117 -18.194  -8.313  -0.965
  876   1HB   HIS 117          HB2       HIS 117 -18.331  -6.641   1.553
  877   2HB   HIS 117          HB1       HIS 117 -19.709  -7.255   0.645
  878    HD1  HIS 117           HD1      HIS 117 -17.257  -8.187   3.231
  879    HD2  HIS 117           HD2      HIS 117 -20.073 -10.096   0.845
  880    HE1  HIS 117           HE1      HIS 117 -17.588 -10.455   4.265
  881    HE2  HIS 117           HE2      HIS 117 -19.359 -11.559   2.855
  882    HA   PRO 118           HA       PRO 118 -17.951  -4.413  -3.107
  883   1HB   PRO 118          HB2       PRO 118 -20.010  -4.709  -4.760
  884   2HB   PRO 118          HB1       PRO 118 -18.600  -5.769  -4.888
  885   1HG   PRO 118          HG2       PRO 118 -21.247  -6.284  -3.582
  886   2HG   PRO 118          HG1       PRO 118 -20.312  -7.344  -4.654
  887   1HD   PRO 118          HD2       PRO 118 -20.299  -7.528  -1.908
  888   2HD   PRO 118          HD1       PRO 118 -18.966  -8.075  -2.945
  889    H    LEU 119           HN       LEU 119 -20.453  -3.298  -4.125
  890    HA   LEU 119           HA       LEU 119 -21.081  -1.509  -2.105
  891   1HB   LEU 119          HB2       LEU 119 -22.841  -2.251  -4.436
  892   2HB   LEU 119          HB1       LEU 119 -22.823  -0.740  -3.558
  893    HG   LEU 119           HG       LEU 119 -21.696  -0.218  -5.528
  894   1HD1  LEU 119          HD11      LEU 119 -19.539  -1.021  -3.590
  895   2HD1  LEU 119          HD12      LEU 119 -20.450   0.490  -3.557
  896   3HD1  LEU 119          HD13      LEU 119 -19.377   0.137  -4.911
  897   1HD2  LEU 119          HD21      LEU 119 -21.537  -2.594  -6.267
  898   2HD2  LEU 119          HD22      LEU 119 -20.055  -2.720  -5.317
  899   3HD2  LEU 119          HD23      LEU 119 -20.146  -1.589  -6.666
  900    HA   PRO 120           HA       PRO 120 -24.062  -3.776   0.288
  901   1HB   PRO 120          HB2       PRO 120 -24.909  -1.792   1.871
  902   2HB   PRO 120          HB1       PRO 120 -23.260  -2.418   1.991
  903   1HG   PRO 120          HG2       PRO 120 -24.260   0.069   0.669
  904   2HG   PRO 120          HG1       PRO 120 -22.786  -0.178   1.622
  905   1HD   PRO 120          HD2       PRO 120 -22.903  -0.142  -1.144
  906   2HD   PRO 120          HD1       PRO 120 -21.607  -0.891  -0.193
  907    H    GLN 121           HN       GLN 121 -26.432  -2.683   1.310
  908    HA   GLN 121           HA       GLN 121 -27.980  -2.199  -1.141
  909   1HB   GLN 121          HB2       GLN 121 -28.537  -3.751   1.358
  910   2HB   GLN 121          HB1       GLN 121 -29.865  -3.108   0.412
  911   1HG   GLN 121          HG2       GLN 121 -29.082  -4.343  -1.542
  912   2HG   GLN 121          HG1       GLN 121 -27.742  -4.985  -0.592
  913   1HE2  GLN 121          HE21      GLN 121 -31.192  -5.041  -1.090
  914   2HE2  GLN 121          HE22      GLN 121 -31.494  -6.503  -0.220
  915    H    CYS 122           HN       CYS 122 -28.674  -0.144  -1.302
  916    HA   CYS 122           HA       CYS 122 -29.215   1.327   1.184
  917   1HB   CYS 122          HB2       CYS 122 -28.781   2.287  -1.650
  918   2HB   CYS 122          HB1       CYS 122 -29.294   3.340  -0.338
  919    H    GLU 123           HN       GLU 123 -31.273   1.121   1.852
  920    HA   GLU 123           HA       GLU 123 -33.418   1.238  -0.174
  921   1HB   GLU 123          HB2       GLU 123 -33.498  -0.310   2.416
  922   2HB   GLU 123          HB1       GLU 123 -34.717  -0.293   1.151
  923   1HG   GLU 123          HG2       GLU 123 -31.929  -1.380   0.853
  924   2HG   GLU 123          HG1       GLU 123 -33.375  -2.341   1.160
  925    H    ILE 124           HN       ILE 124 -35.251   2.301   0.344
  926    HA   ILE 124           HA       ILE 124 -34.954   4.640   1.882
  927    HB   ILE 124           HB       ILE 124 -36.464   4.490  -0.048
  928   1HG1  ILE 124          HG12      ILE 124 -38.512   5.532   1.103
  929   2HG1  ILE 124          HG11      ILE 124 -37.646   5.263   2.612
  930   1HG2  ILE 124          HG21      ILE 124 -38.669   3.392   0.224
  931   2HG2  ILE 124          HG22      ILE 124 -38.091   2.693   1.738
  932   3HG2  ILE 124          HG23      ILE 124 -37.314   2.263   0.214
  933   1HD1  ILE 124          HD11      ILE 124 -37.368   7.539   1.775
  934   2HD1  ILE 124          HD12      ILE 124 -36.638   6.902   0.301
  935   3HD1  ILE 124          HD13      ILE 124 -35.834   6.674   1.854
  936    H    LEU 125           HN       LEU 125 -35.822   5.258   3.842
  937    HA   LEU 125           HA       LEU 125 -36.017   3.250   5.835
  938   1HB   LEU 125          HB2       LEU 125 -36.794   6.162   5.995
  939   2HB   LEU 125          HB1       LEU 125 -36.517   5.094   7.356
  940    HG   LEU 125           HG       LEU 125 -34.395   5.858   5.347
  941   1HD1  LEU 125          HD11      LEU 125 -33.517   7.303   7.142
  942   2HD1  LEU 125          HD12      LEU 125 -34.969   6.973   8.088
  943   3HD1  LEU 125          HD13      LEU 125 -35.094   7.831   6.553
  944   1HD2  LEU 125          HD21      LEU 125 -34.206   4.515   8.039
  945   2HD2  LEU 125          HD22      LEU 125 -32.853   4.944   6.994
  946   3HD2  LEU 125          HD23      LEU 125 -34.014   3.721   6.477
  947    H    GLU 126           HN       GLU 126 -38.394   5.348   4.256
  948    HA   GLU 126           HA       GLU 126 -40.558   3.855   5.563
  949   1HB   GLU 126          HB2       GLU 126 -40.700   6.257   5.841
  950   2HB   GLU 126          HB1       GLU 126 -40.562   6.502   4.106
  951   1HG   GLU 126          HG2       GLU 126 -42.712   5.284   3.826
  952   2HG   GLU 126          HG1       GLU 126 -42.857   5.239   5.584
  953    H    HIS 127           HN       HIS 127 -42.178   2.856   4.386
  954    HA   HIS 127           HA       HIS 127 -41.423   1.978   1.749
  955   1HB   HIS 127          HB2       HIS 127 -42.431   0.431   3.394
  956   2HB   HIS 127          HB1       HIS 127 -43.918   1.372   3.352
  957    HD1  HIS 127           HD1      HIS 127 -41.954  -1.125   1.403
  958    HD2  HIS 127           HD2      HIS 127 -45.504   1.007   1.063
  959    HE1  HIS 127           HE1      HIS 127 -43.203  -2.198  -0.498
  960    HE2  HIS 127           HE2      HIS 127 -45.390  -0.953  -0.619
  961    H    HIS 128           HN       HIS 128 -42.616   2.264  -0.168
  962    HA   HIS 128           HA       HIS 128 -44.760   4.253  -0.131
  963   1HB   HIS 128          HB2       HIS 128 -43.701   5.461  -2.041
  964   2HB   HIS 128          HB1       HIS 128 -42.800   5.598  -0.535
  965    HD1  HIS 128           HD1      HIS 128 -42.536   4.382  -4.012
  966    HD2  HIS 128           HD2      HIS 128 -40.359   4.119  -0.482
  967    HE1  HIS 128           HE1      HIS 128 -40.261   3.544  -4.685
  968    HE2  HIS 128           HE2      HIS 128 -38.933   3.486  -2.545
  969    H    HIS 129           HN       HIS 129 -45.344   4.587  -2.676
  970    HA   HIS 129           HA       HIS 129 -45.493   1.930  -3.920
  971   1HB   HIS 129          HB2       HIS 129 -47.871   2.305  -4.446
  972   2HB   HIS 129          HB1       HIS 129 -47.591   2.277  -2.707
  973    HD1  HIS 129           HD1      HIS 129 -49.318   4.160  -5.196
  974    HD2  HIS 129           HD2      HIS 129 -47.311   5.099  -1.683
  975    HE1  HIS 129           HE1      HIS 129 -50.149   6.439  -4.536
  976    HE2  HIS 129           HE2      HIS 129 -48.828   7.037  -2.476
  977    H    HIS 130           HN       HIS 130 -45.258   5.346  -4.178
  978    HA   HIS 130           HA       HIS 130 -45.040   5.115  -7.106
  979   1HB   HIS 130          HB2       HIS 130 -47.086   6.346  -6.398
  980   2HB   HIS 130          HB1       HIS 130 -46.061   7.514  -5.571
  981    HD1  HIS 130           HD1      HIS 130 -45.153   9.406  -6.937
  982    HD2  HIS 130           HD2      HIS 130 -46.776   6.383  -9.280
  983    HE1  HIS 130           HE1      HIS 130 -45.180  10.315  -9.280
  984    HE2  HIS 130           HE2      HIS 130 -46.281   8.516 -10.657
  985    H    HIS 131           HN       HIS 131 -43.191   5.847  -7.982
  986    HA   HIS 131           HA       HIS 131 -41.530   7.749  -6.527
  987   1HB   HIS 131          HB2       HIS 131 -40.747   5.583  -5.713
  988   2HB   HIS 131          HB1       HIS 131 -40.540   5.015  -7.366
  989    HD1  HIS 131           HD1      HIS 131 -38.322   5.426  -8.428
  990    HD2  HIS 131           HD2      HIS 131 -38.882   7.711  -5.003
  991    HE1  HIS 131           HE1      HIS 131 -36.108   6.537  -7.992
  992    HE2  HIS 131           HE2      HIS 131 -36.494   7.979  -5.962
  993    H    HIS 132           HN       HIS 132 -39.870   8.716  -7.837
  994    HA   HIS 132           HA       HIS 132 -40.695   9.284 -10.461
  995   1HB   HIS 132          HB2       HIS 132 -38.062   9.767  -9.060
  996   2HB   HIS 132          HB1       HIS 132 -38.436  10.386 -10.665
  997    HD1  HIS 132           HD1      HIS 132 -38.353  11.513  -7.351
  998    HD2  HIS 132           HD2      HIS 132 -41.108  11.913 -10.435
  999    HE1  HIS 132           HE1      HIS 132 -39.736  13.528  -6.759
 1000    HE2  HIS 132           HE2      HIS 132 -41.344  13.797  -8.680
  Start of MODEL   14
    1   1H    MET   0           HT1      MET   0  34.837  -0.787  -3.079
    2   2H    MET   0           HT2      MET   0  34.829   0.512  -4.162
    3   3H    MET   0           HT3      MET   0  35.881  -0.789  -4.411
    4    HA   MET   0           HA       MET   0  34.030  -0.915  -5.924
    5   1HB   MET   0          HB2       MET   0  34.061  -2.991  -3.729
    6   2HB   MET   0          HB1       MET   0  33.203  -3.196  -5.251
    7   1HG   MET   0          HG2       MET   0  35.294  -3.028  -6.473
    8   2HG   MET   0          HG1       MET   0  36.168  -2.768  -4.966
    9   1HE   MET   0          HE1       MET   0  33.163  -5.254  -5.599
   10   2HE   MET   0          HE2       MET   0  34.039  -6.710  -6.074
   11   3HE   MET   0          HE3       MET   0  34.077  -5.282  -7.107
   12    H    ASN   1           HN       ASN   1  32.876  -1.387  -2.578
   13    HA   ASN   1           HA       ASN   1  30.883  -0.945  -1.579
   14   1HB   ASN   1          HB2       ASN   1  31.023   1.218  -3.656
   15   2HB   ASN   1          HB1       ASN   1  29.595   1.055  -2.637
   16   1HD2  ASN   1          HD21      ASN   1  29.760   1.421  -0.439
   17   2HD2  ASN   1          HD22      ASN   1  31.089   2.276   0.257
   18    H    CYS   2           HN       CYS   2  28.375  -0.449  -2.273
   19    HA   CYS   2           HA       CYS   2  27.721  -2.743  -3.940
   20   1HB   CYS   2          HB2       CYS   2  26.147  -1.048  -2.025
   21   2HB   CYS   2          HB1       CYS   2  25.336  -2.137  -3.146
   22    H    GLY   3           HN       GLY   3  28.177   0.502  -4.437
   23   1HA   GLY   3          HA2       GLY   3  27.918   1.552  -6.539
   24   2HA   GLY   3          HA1       GLY   3  26.652   0.394  -6.934
   25    HA   PRO   4           HA       PRO   4  25.352   4.793  -4.956
   26   1HB   PRO   4          HB2       PRO   4  24.566   5.003  -7.847
   27   2HB   PRO   4          HB1       PRO   4  24.962   6.290  -6.699
   28   1HG   PRO   4          HG2       PRO   4  26.775   5.480  -8.462
   29   2HG   PRO   4          HG1       PRO   4  27.247   5.845  -6.793
   30   1HD   PRO   4          HD2       PRO   4  26.976   3.213  -8.147
   31   2HD   PRO   4          HD1       PRO   4  28.047   3.695  -6.817
   32    HA   PRO   5           HA       PRO   5  21.595   2.527  -4.143
   33   1HB   PRO   5          HB2       PRO   5  20.678   5.324  -3.606
   34   2HB   PRO   5          HB1       PRO   5  20.438   3.858  -2.646
   35   1HG   PRO   5          HG2       PRO   5  22.280   5.630  -1.935
   36   2HG   PRO   5          HG1       PRO   5  22.613   3.893  -1.816
   37   1HD   PRO   5          HD2       PRO   5  23.594   5.883  -3.803
   38   2HD   PRO   5          HD1       PRO   5  24.406   4.448  -3.146
   39    HA   PRO   6           HA       PRO   6  19.338   3.302  -7.904
   40   1HB   PRO   6          HB2       PRO   6  17.482   1.253  -7.300
   41   2HB   PRO   6          HB1       PRO   6  18.942   1.102  -8.278
   42   1HG   PRO   6          HG2       PRO   6  18.473  -0.101  -5.789
   43   2HG   PRO   6          HG1       PRO   6  20.031   0.017  -6.619
   44   1HD   PRO   6          HD2       PRO   6  18.949   1.641  -4.383
   45   2HD   PRO   6          HD1       PRO   6  20.630   1.218  -4.768
   46    H    THR   7           HN       THR   7  16.860   3.035  -8.390
   47    HA   THR   7           HA       THR   7  15.426   4.940  -6.673
   48    HB   THR   7           HB       THR   7  15.751   5.668  -8.957
   49    HG1  THR   7           HG1      THR   7  13.680   6.279  -9.242
   50   1HG2  THR   7          HG21      THR   7  15.941   3.353  -9.918
   51   2HG2  THR   7          HG22      THR   7  14.977   4.481 -10.869
   52   3HG2  THR   7          HG23      THR   7  14.181   3.265  -9.869
   53    H    LEU   8           HN       LEU   8  15.169   2.652  -5.377
   54    HA   LEU   8           HA       LEU   8  13.733   0.502  -6.340
   55   1HB   LEU   8          HB2       LEU   8  13.679   1.818  -3.625
   56   2HB   LEU   8          HB1       LEU   8  12.893   0.292  -3.971
   57    HG   LEU   8           HG       LEU   8  15.125  -0.651  -4.581
   58   1HD1  LEU   8          HD11      LEU   8  16.145   1.946  -3.443
   59   2HD1  LEU   8          HD12      LEU   8  16.277   1.424  -5.122
   60   3HD1  LEU   8          HD13      LEU   8  17.128   0.541  -3.855
   61   1HD2  LEU   8          HD21      LEU   8  14.102  -0.973  -2.372
   62   2HD2  LEU   8          HD22      LEU   8  14.909   0.486  -1.799
   63   3HD2  LEU   8          HD23      LEU   8  15.862  -0.915  -2.287
   64    H    SER   9           HN       SER   9  11.745   0.362  -7.209
   65    HA   SER   9           HA       SER   9  10.016   2.586  -7.342
   66   1HB   SER   9          HB2       SER   9   9.349  -0.319  -7.878
   67   2HB   SER   9          HB1       SER   9   8.455   1.086  -8.459
   68    HG   SER   9           HG       SER   9   9.879   1.354  -9.988
   69    H    PHE  10           HN       PHE  10  10.316   0.018  -5.026
   70    HA   PHE  10           HA       PHE  10   7.669   0.395  -3.937
   71   1HB   PHE  10          HB2       PHE  10   9.859  -1.017  -2.465
   72   2HB   PHE  10          HB1       PHE  10   8.134  -1.344  -2.464
   73    HD1  PHE  10           HD1      PHE  10   7.108  -2.662  -4.215
   74    HD2  PHE  10           HD2      PHE  10  11.294  -1.894  -4.191
   75    HE1  PHE  10           HE1      PHE  10   7.449  -4.481  -5.836
   76    HE2  PHE  10           HE2      PHE  10  11.640  -3.707  -5.815
   77    HZ   PHE  10           HZ       PHE  10   9.718  -5.008  -6.632
   78    H    ALA  11           HN       ALA  11  10.488   2.152  -3.742
   79    HA   ALA  11           HA       ALA  11   9.525   3.532  -1.347
   80   1HB   ALA  11          HB1       ALA  11  11.023   1.864  -0.456
   81   2HB   ALA  11          HB2       ALA  11  11.731   3.470  -0.291
   82   3HB   ALA  11          HB3       ALA  11  12.297   2.382  -1.558
   83    H    ALA  12           HN       ALA  12  10.424   5.560  -1.020
   84    HA   ALA  12           HA       ALA  12  11.989   6.674  -3.248
   85   1HB   ALA  12          HB1       ALA  12   9.617   7.417  -3.216
   86   2HB   ALA  12          HB2       ALA  12  10.768   8.740  -3.031
   87   3HB   ALA  12          HB3       ALA  12   9.898   8.126  -1.626
   88    HA   PRO  13           HA       PRO  13  15.201   7.722  -0.400
   89   1HB   PRO  13          HB2       PRO  13  15.142  10.348  -1.828
   90   2HB   PRO  13          HB1       PRO  13  16.519   9.305  -1.450
   91   1HG   PRO  13          HG2       PRO  13  15.510   9.376  -3.912
   92   2HG   PRO  13          HG1       PRO  13  16.060   7.848  -3.200
   93   1HD   PRO  13          HD2       PRO  13  13.289   8.843  -3.648
   94   2HD   PRO  13          HD1       PRO  13  13.914   7.183  -3.687
   95    H    MET  14           HN       MET  14  15.412   8.742   1.526
   96    HA   MET  14           HA       MET  14  13.612  10.961   2.159
   97   1HB   MET  14          HB2       MET  14  12.497   8.859   2.854
   98   2HB   MET  14          HB1       MET  14  13.876   8.492   3.880
   99   1HG   MET  14          HG2       MET  14  11.902   9.453   5.060
  100   2HG   MET  14          HG1       MET  14  13.416  10.322   5.310
  101   1HE   MET  14          HE1       MET  14  10.159  11.785   2.384
  102   2HE   MET  14          HE2       MET  14   9.966  10.331   3.364
  103   3HE   MET  14          HE3       MET  14  11.193  10.385   2.098
  104    H    ASP  15           HN       ASP  15  16.634   9.517   2.353
  105    HA   ASP  15           HA       ASP  15  17.602  11.668   4.047
  106   1HB   ASP  15          HB2       ASP  15  17.107   9.758   5.585
  107   2HB   ASP  15          HB1       ASP  15  18.275   8.791   4.689
  108    H    ILE  16           HN       ILE  16  19.552   8.872   3.623
  109    HA   ILE  16           HA       ILE  16  21.624   8.707   2.667
  110    HB   ILE  16           HB       ILE  16  20.408   7.587   0.997
  111   1HG1  ILE  16          HG12      ILE  16  22.052   9.689  -0.405
  112   2HG1  ILE  16          HG11      ILE  16  22.692   8.230   0.342
  113   1HG2  ILE  16          HG21      ILE  16  18.527   8.997   0.682
  114   2HG2  ILE  16          HG22      ILE  16  19.302   8.797  -0.891
  115   3HG2  ILE  16          HG23      ILE  16  19.534  10.288   0.022
  116   1HD1  ILE  16          HD11      ILE  16  21.332   6.895  -1.245
  117   2HD1  ILE  16          HD12      ILE  16  22.563   7.896  -2.016
  118   3HD1  ILE  16          HD13      ILE  16  20.872   8.398  -2.044
  119    H    THR  17           HN       THR  17  22.670  10.536   3.515
  120    HA   THR  17           HA       THR  17  22.604  13.101   2.451
  121    HB   THR  17           HB       THR  17  24.918  13.393   3.278
  122    HG1  THR  17           HG1      THR  17  24.769  10.630   3.969
  123   1HG2  THR  17          HG21      THR  17  23.111  13.653   4.865
  124   2HG2  THR  17          HG22      THR  17  24.462  12.843   5.659
  125   3HG2  THR  17          HG23      THR  17  23.057  11.912   5.141
  126    H    LEU  18           HN       LEU  18  22.928  13.715   0.418
  127    HA   LEU  18           HA       LEU  18  24.194  11.983  -1.449
  128   1HB   LEU  18          HB2       LEU  18  22.677  14.504  -1.530
  129   2HB   LEU  18          HB1       LEU  18  23.840  14.290  -2.822
  130    HG   LEU  18           HG       LEU  18  21.735  13.489  -3.615
  131   1HD1  LEU  18          HD11      LEU  18  23.640  12.135  -4.269
  132   2HD1  LEU  18          HD12      LEU  18  22.214  11.119  -4.049
  133   3HD1  LEU  18          HD13      LEU  18  23.469  11.158  -2.810
  134   1HD2  LEU  18          HD21      LEU  18  20.483  13.172  -1.646
  135   2HD2  LEU  18          HD22      LEU  18  21.630  11.990  -1.014
  136   3HD2  LEU  18          HD23      LEU  18  20.607  11.576  -2.390
  137    H    THR  19           HN       THR  19  25.999  12.731   0.546
  138    HA   THR  19           HA       THR  19  27.796  14.661  -0.728
  139    HB   THR  19           HB       THR  19  28.979  14.789   1.332
  140    HG1  THR  19           HG1      THR  19  27.463  12.505   2.126
  141   1HG2  THR  19          HG21      THR  19  26.850  15.982   1.341
  142   2HG2  THR  19          HG22      THR  19  27.213  15.358   2.951
  143   3HG2  THR  19          HG23      THR  19  26.027  14.539   1.933
  144    H    GLU  20           HN       GLU  20  27.325  11.311  -0.193
  145    HA   GLU  20           HA       GLU  20  29.960  10.731  -1.375
  146   1HB   GLU  20          HB2       GLU  20  28.483   9.154   0.741
  147   2HB   GLU  20          HB1       GLU  20  29.913   8.577  -0.103
  148   1HG   GLU  20          HG2       GLU  20  29.793  11.043   1.620
  149   2HG   GLU  20          HG1       GLU  20  30.416   9.472   2.124
  150    H    THR  21           HN       THR  21  29.901   9.568  -3.208
  151    HA   THR  21           HA       THR  21  27.354   8.795  -4.300
  152    HB   THR  21           HB       THR  21  29.996   8.078  -5.539
  153    HG1  THR  21           HG1      THR  21  28.708  10.600  -5.831
  154   1HG2  THR  21          HG21      THR  21  28.755   8.467  -7.620
  155   2HG2  THR  21          HG22      THR  21  27.324   8.898  -6.684
  156   3HG2  THR  21          HG23      THR  21  27.962   7.255  -6.614
  157    H    ARG  22           HN       ARG  22  29.631   7.307  -2.326
  158    HA   ARG  22           HA       ARG  22  28.595   4.636  -3.021
  159   1HB   ARG  22          HB2       ARG  22  31.321   5.317  -1.919
  160   2HB   ARG  22          HB1       ARG  22  30.719   3.698  -2.233
  161   1HG   ARG  22          HG2       ARG  22  30.540   4.271  -4.631
  162   2HG   ARG  22          HG1       ARG  22  31.261   5.842  -4.274
  163   1HD   ARG  22          HD2       ARG  22  32.554   3.172  -3.738
  164   2HD   ARG  22          HD1       ARG  22  32.905   4.209  -5.119
  165    HE   ARG  22           HE       ARG  22  33.284   5.736  -2.831
  166   1HH1  ARG  22          HH11      ARG  22  34.655   2.898  -4.315
  167   2HH1  ARG  22          HH12      ARG  22  36.232   3.151  -3.644
  168   1HH2  ARG  22          HH21      ARG  22  35.358   6.078  -1.944
  169   2HH2  ARG  22          HH22      ARG  22  36.632   4.958  -2.296
  170    H    PHE  23           HN       PHE  23  28.696   3.095  -1.123
  171    HA   PHE  23           HA       PHE  23  28.535   4.316   1.497
  172   1HB   PHE  23          HB2       PHE  23  26.145   2.887   0.293
  173   2HB   PHE  23          HB1       PHE  23  26.265   3.488   1.944
  174    HD1  PHE  23           HD1      PHE  23  25.765   5.728   2.464
  175    HD2  PHE  23           HD2      PHE  23  26.149   4.521  -1.596
  176    HE1  PHE  23           HE1      PHE  23  24.897   7.911   1.733
  177    HE2  PHE  23           HE2      PHE  23  25.294   6.694  -2.333
  178    HZ   PHE  23           HZ       PHE  23  24.656   8.398  -0.669
  179    H    LYS  24           HN       LYS  24  29.897   3.009   2.537
  180    HA   LYS  24           HA       LYS  24  30.782   0.525   1.848
  181   1HB   LYS  24          HB2       LYS  24  31.314   0.223   4.311
  182   2HB   LYS  24          HB1       LYS  24  31.966   1.648   3.524
  183   1HG   LYS  24          HG2       LYS  24  30.125   2.984   4.469
  184   2HG   LYS  24          HG1       LYS  24  29.538   1.543   5.301
  185   1HD   LYS  24          HD2       LYS  24  31.749   1.383   6.440
  186   2HD   LYS  24          HD1       LYS  24  32.184   2.930   5.709
  187   1HE   LYS  24          HE2       LYS  24  30.306   4.002   6.835
  188   2HE   LYS  24          HE1       LYS  24  29.836   2.457   7.543
  189   1HZ   LYS  24          HZ1       LYS  24  32.338   3.963   8.071
  190   2HZ   LYS  24          HZ2       LYS  24  32.021   2.409   8.659
  191   3HZ   LYS  24          HZ3       LYS  24  31.057   3.709   9.148
  192    H    THR  25           HN       THR  25  30.594  -1.511   3.176
  193    HA   THR  25           HA       THR  25  27.987  -2.558   2.836
  194    HB   THR  25           HB       THR  25  29.094  -4.478   4.254
  195    HG1  THR  25           HG1      THR  25  31.480  -3.746   3.145
  196   1HG2  THR  25          HG21      THR  25  30.053  -3.896   1.454
  197   2HG2  THR  25          HG22      THR  25  28.450  -4.524   1.834
  198   3HG2  THR  25          HG23      THR  25  29.883  -5.483   2.212
  199    H    GLY  26           HN       GLY  26  29.119  -0.629   5.223
  200   1HA   GLY  26          HA2       GLY  26  27.528  -1.943   7.328
  201   2HA   GLY  26          HA1       GLY  26  28.770  -0.730   7.608
  202    H    THR  27           HN       THR  27  27.366   0.433   5.039
  203    HA   THR  27           HA       THR  27  25.969   2.500   6.381
  204    HB   THR  27           HB       THR  27  27.093   2.541   4.052
  205    HG1  THR  27           HG1      THR  27  24.628   3.763   4.738
  206   1HG2  THR  27          HG21      THR  27  24.387   2.028   2.945
  207   2HG2  THR  27          HG22      THR  27  25.349   0.620   3.404
  208   3HG2  THR  27          HG23      THR  27  25.977   1.768   2.218
  209    H    THR  28           HN       THR  28  23.703   3.134   5.692
  210    HA   THR  28           HA       THR  28  21.838   1.094   4.998
  211    HB   THR  28           HB       THR  28  21.769   2.062   7.866
  212    HG1  THR  28           HG1      THR  28  23.031   0.381   8.136
  213   1HG2  THR  28          HG21      THR  28  19.872   0.510   8.093
  214   2HG2  THR  28          HG22      THR  28  19.951   0.177   6.363
  215   3HG2  THR  28          HG23      THR  28  19.537   1.793   6.930
  216    H    LEU  29           HN       LEU  29  20.200   2.075   3.992
  217    HA   LEU  29           HA       LEU  29  19.925   4.962   4.308
  218   1HB   LEU  29          HB2       LEU  29  18.793   3.067   2.252
  219   2HB   LEU  29          HB1       LEU  29  18.470   4.788   2.281
  220    HG   LEU  29           HG       LEU  29  20.141   4.386   0.629
  221   1HD1  LEU  29          HD11      LEU  29  21.715   5.391   2.975
  222   2HD1  LEU  29          HD12      LEU  29  20.413   6.335   2.250
  223   3HD1  LEU  29          HD13      LEU  29  21.816   5.879   1.282
  224   1HD2  LEU  29          HD21      LEU  29  21.820   3.042   2.734
  225   2HD2  LEU  29          HD22      LEU  29  22.194   3.227   1.019
  226   3HD2  LEU  29          HD23      LEU  29  20.863   2.187   1.525
  227    H    LYS  30           HN       LYS  30  17.460   5.618   3.772
  228    HA   LYS  30           HA       LYS  30  15.843   4.329   5.858
  229   1HB   LYS  30          HB2       LYS  30  16.460   6.779   6.095
  230   2HB   LYS  30          HB1       LYS  30  15.428   7.085   4.703
  231   1HG   LYS  30          HG2       LYS  30  14.194   7.564   6.688
  232   2HG   LYS  30          HG1       LYS  30  13.529   6.101   5.959
  233   1HD   LYS  30          HD2       LYS  30  13.693   5.795   8.346
  234   2HD   LYS  30          HD1       LYS  30  14.869   4.752   7.544
  235   1HE   LYS  30          HE2       LYS  30  16.635   6.378   8.016
  236   2HE   LYS  30          HE1       LYS  30  15.460   7.425   8.811
  237   1HZ   LYS  30          HZ1       LYS  30  16.733   6.104  10.397
  238   2HZ   LYS  30          HZ2       LYS  30  16.167   4.677   9.687
  239   3HZ   LYS  30          HZ3       LYS  30  15.086   5.720  10.463
  240    H    TYR  31           HN       TYR  31  14.820   6.461   3.240
  241    HA   TYR  31           HA       TYR  31  13.330   6.237   1.548
  242   1HB   TYR  31          HB2       TYR  31  14.246   3.385   1.806
  243   2HB   TYR  31          HB1       TYR  31  13.012   3.848   0.638
  244    HD1  TYR  31           HD1      TYR  31  13.591   4.907  -1.395
  245    HD2  TYR  31           HD2      TYR  31  16.536   4.393   1.632
  246    HE1  TYR  31           HE1      TYR  31  15.338   5.574  -2.990
  247    HE2  TYR  31           HE2      TYR  31  18.292   5.060   0.045
  248    HH   TYR  31           HH       TYR  31  17.625   6.528  -2.923
  249    H    THR  32           HN       THR  32  11.163   5.975   1.209
  250    HA   THR  32           HA       THR  32   9.630   4.542   3.277
  251    HB   THR  32           HB       THR  32   9.158   6.657   4.008
  252    HG1  THR  32           HG1      THR  32   7.133   6.016   3.457
  253   1HG2  THR  32          HG21      THR  32   9.465   7.616   1.163
  254   2HG2  THR  32          HG22      THR  32  10.592   7.864   2.498
  255   3HG2  THR  32          HG23      THR  32   9.012   8.648   2.519
  256    H    CYS  33           HN       CYS  33   7.525   3.794   2.599
  257    HA   CYS  33           HA       CYS  33   7.472   3.222  -0.271
  258   1HB   CYS  33          HB2       CYS  33   5.837   1.966   1.939
  259   2HB   CYS  33          HB1       CYS  33   5.963   1.403   0.276
  260    H    LEU  34           HN       LEU  34   6.145   4.027  -1.571
  261    HA   LEU  34           HA       LEU  34   4.595   6.225  -1.296
  262   1HB   LEU  34          HB2       LEU  34   3.992   3.960  -3.194
  263   2HB   LEU  34          HB1       LEU  34   3.432   5.611  -3.362
  264    HG   LEU  34           HG       LEU  34   6.334   4.772  -3.400
  265   1HD1  LEU  34          HD11      LEU  34   6.174   5.366  -5.822
  266   2HD1  LEU  34          HD12      LEU  34   4.420   5.400  -5.634
  267   3HD1  LEU  34          HD13      LEU  34   5.309   3.901  -5.360
  268   1HD2  LEU  34          HD21      LEU  34   5.049   7.412  -4.079
  269   2HD2  LEU  34          HD22      LEU  34   6.769   7.031  -4.148
  270   3HD2  LEU  34          HD23      LEU  34   5.935   7.061  -2.595
  271    HA   PRO  35           HA       PRO  35   0.865   5.652   0.898
  272   1HB   PRO  35          HB2       PRO  35  -1.013   6.636  -0.894
  273   2HB   PRO  35          HB1       PRO  35  -0.048   7.609   0.221
  274   1HG   PRO  35          HG2       PRO  35   0.405   7.036  -2.677
  275   2HG   PRO  35          HG1       PRO  35   0.640   8.548  -1.781
  276   1HD   PRO  35          HD2       PRO  35   2.717   7.008  -2.447
  277   2HD   PRO  35          HD1       PRO  35   2.665   7.841  -0.878
  278    H    GLY  36           HN       GLY  36   0.337   3.582   1.190
  279   1HA   GLY  36          HA2       GLY  36  -1.597   2.095   0.808
  280   2HA   GLY  36          HA1       GLY  36  -1.292   2.291  -0.913
  281    H    TYR  37           HN       TYR  37   1.592   2.146  -0.555
  282    HA   TYR  37           HA       TYR  37   2.128  -0.455  -1.207
  283   1HB   TYR  37          HB2       TYR  37   3.677   1.836  -0.257
  284   2HB   TYR  37          HB1       TYR  37   4.389   0.297   0.211
  285    HD1  TYR  37           HD1      TYR  37   4.126   2.717  -2.334
  286    HD2  TYR  37           HD2      TYR  37   4.689  -1.450  -1.702
  287    HE1  TYR  37           HE1      TYR  37   5.114   2.515  -4.581
  288    HE2  TYR  37           HE2      TYR  37   5.667  -1.668  -3.946
  289    HH   TYR  37           HH       TYR  37   6.504   1.076  -5.861
  290    H    VAL  38           HN       VAL  38   0.875  -1.895   0.212
  291    HA   VAL  38           HA       VAL  38   1.307  -2.036   2.973
  292    HB   VAL  38           HB       VAL  38   0.342  -4.293   2.840
  293   1HG1  VAL  38          HG11      VAL  38  -1.179  -2.414   2.828
  294   2HG1  VAL  38          HG12      VAL  38  -1.799  -3.682   1.771
  295   3HG1  VAL  38          HG13      VAL  38  -1.020  -2.259   1.079
  296   1HG2  VAL  38          HG21      VAL  38  -0.244  -5.294   0.713
  297   2HG2  VAL  38          HG22      VAL  38   1.497  -5.012   0.793
  298   3HG2  VAL  38          HG23      VAL  38   0.470  -3.931  -0.149
  299    H    ARG  39           HN       ARG  39   2.084  -4.615   3.617
  300    HA   ARG  39           HA       ARG  39   4.499  -5.298   2.261
  301   1HB   ARG  39          HB2       ARG  39   5.971  -4.802   4.288
  302   2HB   ARG  39          HB1       ARG  39   5.494  -3.441   3.281
  303   1HG   ARG  39          HG2       ARG  39   3.637  -3.014   4.915
  304   2HG   ARG  39          HG1       ARG  39   4.383  -4.222   5.963
  305   1HD   ARG  39          HD2       ARG  39   6.506  -2.870   5.808
  306   2HD   ARG  39          HD1       ARG  39   5.552  -1.612   5.025
  307    HE   ARG  39           HE       ARG  39   4.605  -2.538   7.612
  308   1HH1  ARG  39          HH11      ARG  39   6.364  -0.142   5.792
  309   2HH1  ARG  39          HH12      ARG  39   6.281   1.054   7.042
  310   1HH2  ARG  39          HH21      ARG  39   4.495  -0.970   9.264
  311   2HH2  ARG  39          HH22      ARG  39   5.220   0.583   9.015
  312    H    SER  40           HN       SER  40   5.847  -6.865   3.524
  313    HA   SER  40           HA       SER  40   4.214  -8.544   5.297
  314   1HB   SER  40          HB2       SER  40   4.062  -9.607   3.150
  315   2HB   SER  40          HB1       SER  40   5.792  -9.418   2.865
  316    HG   SER  40           HG       SER  40   4.986 -11.552   3.618
  317    H    HIS  41           HN       HIS  41   7.272  -7.252   4.350
  318    HA   HIS  41           HA       HIS  41   8.604  -8.632   6.585
  319   1HB   HIS  41          HB2       HIS  41   9.788  -7.324   4.125
  320   2HB   HIS  41          HB1       HIS  41  10.731  -8.016   5.441
  321    HD1  HIS  41           HD1      HIS  41   8.478  -9.005   2.599
  322    HD2  HIS  41           HD2      HIS  41  10.989 -10.775   5.398
  323    HE1  HIS  41           HE1      HIS  41   8.704 -11.404   1.878
  324    HE2  HIS  41           HE2      HIS  41  10.137 -12.479   3.650
  325    H    SER  42           HN       SER  42   7.882  -5.538   5.129
  326    HA   SER  42           HA       SER  42   7.822  -3.434   5.973
  327   1HB   SER  42          HB2       SER  42   6.846  -4.487   7.976
  328   2HB   SER  42          HB1       SER  42   8.469  -4.730   8.623
  329    HG   SER  42           HG       SER  42   7.453  -2.185   7.909
  330    H    THR  43           HN       THR  43  10.572  -5.344   6.047
  331    HA   THR  43           HA       THR  43  12.482  -3.682   7.235
  332    HB   THR  43           HB       THR  43  13.948  -4.866   5.333
  333    HG1  THR  43           HG1      THR  43  12.001  -6.844   5.662
  334   1HG2  THR  43          HG21      THR  43  12.793  -6.185   7.786
  335   2HG2  THR  43          HG22      THR  43  14.277  -5.238   7.691
  336   3HG2  THR  43          HG23      THR  43  14.176  -6.802   6.881
  337    H    GLN  44           HN       GLN  44  12.299  -1.523   6.667
  338    HA   GLN  44           HA       GLN  44  12.617  -0.881   3.817
  339   1HB   GLN  44          HB2       GLN  44  11.776   1.397   4.479
  340   2HB   GLN  44          HB1       GLN  44  10.608   0.093   4.632
  341   1HG   GLN  44          HG2       GLN  44  11.030  -0.003   7.037
  342   2HG   GLN  44          HG1       GLN  44  12.196   1.311   6.881
  343   1HE2  GLN  44          HE21      GLN  44   8.836   0.433   6.815
  344   2HE2  GLN  44          HE22      GLN  44   8.204   2.038   6.906
  345    H    THR  45           HN       THR  45  14.922  -1.497   4.361
  346    HA   THR  45           HA       THR  45  16.402   0.955   4.796
  347    HB   THR  45           HB       THR  45  18.016  -0.173   6.349
  348    HG1  THR  45           HG1      THR  45  16.234  -1.954   7.343
  349   1HG2  THR  45          HG21      THR  45  16.401   1.432   7.201
  350   2HG2  THR  45          HG22      THR  45  16.621   0.116   8.360
  351   3HG2  THR  45          HG23      THR  45  15.184   0.161   7.338
  352    H    LEU  46           HN       LEU  46  18.267   1.027   3.617
  353    HA   LEU  46           HA       LEU  46  18.772  -1.316   1.910
  354   1HB   LEU  46          HB2       LEU  46  19.359   1.608   1.484
  355   2HB   LEU  46          HB1       LEU  46  20.008   0.343   0.458
  356    HG   LEU  46           HG       LEU  46  17.093   1.009   0.846
  357   1HD1  LEU  46          HD11      LEU  46  18.874   1.270  -1.573
  358   2HD1  LEU  46          HD12      LEU  46  18.348   2.605  -0.547
  359   3HD1  LEU  46          HD13      LEU  46  17.163   1.691  -1.481
  360   1HD2  LEU  46          HD21      LEU  46  17.211  -1.330   0.553
  361   2HD2  LEU  46          HD22      LEU  46  18.448  -1.184  -0.694
  362   3HD2  LEU  46          HD23      LEU  46  16.799  -0.653  -1.023
  363    H    THR  47           HN       THR  47  20.373  -2.530   2.631
  364    HA   THR  47           HA       THR  47  22.706  -1.190   3.852
  365    HB   THR  47           HB       THR  47  22.061  -4.113   4.201
  366    HG1  THR  47           HG1      THR  47  20.621  -3.624   5.702
  367   1HG2  THR  47          HG21      THR  47  24.262  -3.626   4.873
  368   2HG2  THR  47          HG22      THR  47  23.332  -3.615   6.372
  369   3HG2  THR  47          HG23      THR  47  23.795  -2.093   5.608
  370    H    CYS  48           HN       CYS  48  24.800  -1.837   3.212
  371    HA   CYS  48           HA       CYS  48  24.812  -3.076   0.600
  372   1HB   CYS  48          HB2       CYS  48  26.172  -1.017   0.960
  373   2HB   CYS  48          HB1       CYS  48  27.109  -1.866   2.175
  374    H    ASN  49           HN       ASN  49  24.942  -5.200   0.500
  375    HA   ASN  49           HA       ASN  49  26.272  -6.649   2.665
  376   1HB   ASN  49          HB2       ASN  49  25.104  -8.608   1.927
  377   2HB   ASN  49          HB1       ASN  49  23.936  -7.293   1.960
  378   1HD2  ASN  49          HD21      ASN  49  25.338  -6.267  -0.569
  379   2HD2  ASN  49          HD22      ASN  49  24.631  -7.219  -1.824
  380    H    SER  50           HN       SER  50  27.561  -8.631   1.904
  381    HA   SER  50           HA       SER  50  29.532  -7.700   0.020
  382   1HB   SER  50          HB2       SER  50  30.167  -8.965   2.063
  383   2HB   SER  50          HB1       SER  50  29.347 -10.388   1.415
  384    HG   SER  50           HG       SER  50  30.814 -10.161  -0.425
  385    H    ASP  51           HN       ASP  51  27.673  -7.604  -1.565
  386    HA   ASP  51           HA       ASP  51  27.804  -9.870  -3.406
  387   1HB   ASP  51          HB2       ASP  51  25.200  -8.727  -2.393
  388   2HB   ASP  51          HB1       ASP  51  25.373  -9.917  -3.679
  389    H    GLY  52           HN       GLY  52  28.026  -6.688  -2.756
  390   1HA   GLY  52          HA2       GLY  52  28.100  -4.799  -4.038
  391   2HA   GLY  52          HA1       GLY  52  28.156  -5.870  -5.426
  392    H    GLU  53           HN       GLU  53  25.489  -6.299  -3.444
  393    HA   GLU  53           HA       GLU  53  23.819  -4.485  -5.067
  394   1HB   GLU  53          HB2       GLU  53  22.198  -6.114  -5.423
  395   2HB   GLU  53          HB1       GLU  53  23.697  -7.017  -5.596
  396   1HG   GLU  53          HG2       GLU  53  23.452  -7.755  -3.234
  397   2HG   GLU  53          HG1       GLU  53  21.878  -6.962  -3.202
  398    H    TRP  54           HN       TRP  54  21.836  -3.766  -4.066
  399    HA   TRP  54           HA       TRP  54  22.147  -3.372  -1.219
  400   1HB   TRP  54          HB2       TRP  54  20.189  -2.308  -3.247
  401   2HB   TRP  54          HB1       TRP  54  20.087  -1.970  -1.525
  402    HD1  TRP  54           HD1      TRP  54  21.677  -0.748  -4.657
  403    HE1  TRP  54           HE1      TRP  54  23.351   1.136  -4.133
  404    HE3  TRP  54           HE3      TRP  54  21.928  -1.288   0.407
  405    HZ2  TRP  54           HZ2      TRP  54  24.614   2.247  -1.861
  406    HZ3  TRP  54           HZ3      TRP  54  23.391   0.222   1.691
  407    HH2  TRP  54           HH2      TRP  54  24.706   1.951   0.576
  408    H    VAL  55           HN       VAL  55  21.281  -4.718   0.193
  409    HA   VAL  55           HA       VAL  55  19.061  -6.467  -0.631
  410    HB   VAL  55           HB       VAL  55  19.614  -7.580   1.571
  411   1HG1  VAL  55          HG11      VAL  55  21.187  -9.045   0.580
  412   2HG1  VAL  55          HG12      VAL  55  21.795  -7.773  -0.479
  413   3HG1  VAL  55          HG13      VAL  55  20.177  -8.431  -0.729
  414   1HG2  VAL  55          HG21      VAL  55  21.800  -7.301   2.492
  415   2HG2  VAL  55          HG22      VAL  55  20.993  -5.734   2.418
  416   3HG2  VAL  55          HG23      VAL  55  22.226  -6.150   1.225
  417    H    TYR  56           HN       TYR  56  17.286  -6.666   0.705
  418    HA   TYR  56           HA       TYR  56  16.984  -5.317   3.131
  419   1HB   TYR  56          HB2       TYR  56  15.447  -3.465   2.371
  420   2HB   TYR  56          HB1       TYR  56  17.122  -3.279   1.858
  421    HD1  TYR  56           HD1      TYR  56  17.732  -3.949  -0.519
  422    HD2  TYR  56           HD2      TYR  56  13.704  -3.533   0.783
  423    HE1  TYR  56           HE1      TYR  56  17.001  -3.783  -2.860
  424    HE2  TYR  56           HE2      TYR  56  12.962  -3.369  -1.555
  425    HH   TYR  56           HH       TYR  56  13.956  -2.707  -3.762
  426    H    ASN  57           HN       ASN  57  16.001  -7.458   0.952
  427    HA   ASN  57           HA       ASN  57  14.282  -8.928   0.755
  428   1HB   ASN  57          HB2       ASN  57  13.308  -7.657   3.324
  429   2HB   ASN  57          HB1       ASN  57  12.676  -9.143   2.622
  430   1HD2  ASN  57          HD21      ASN  57  15.278  -7.669   4.348
  431   2HD2  ASN  57          HD22      ASN  57  16.116  -9.124   4.750
  432    H    THR  58           HN       THR  58  11.663  -8.895   0.871
  433    HA   THR  58           HA       THR  58  10.924  -6.636  -0.837
  434    HB   THR  58           HB       THR  58   9.277  -9.097  -0.225
  435    HG1  THR  58           HG1      THR  58  10.386  -9.137  -2.671
  436   1HG2  THR  58          HG21      THR  58   8.059  -7.184  -1.179
  437   2HG2  THR  58          HG22      THR  58   8.138  -8.537  -2.308
  438   3HG2  THR  58          HG23      THR  58   9.195  -7.143  -2.528
  439    H    PHE  59           HN       PHE  59  10.999  -5.285   1.181
  440    HA   PHE  59           HA       PHE  59   9.283  -5.508   3.320
  441   1HB   PHE  59          HB2       PHE  59   9.374  -2.950   3.365
  442   2HB   PHE  59          HB1       PHE  59  10.901  -3.819   3.452
  443    HD1  PHE  59           HD1      PHE  59  11.494  -1.298   2.917
  444    HD2  PHE  59           HD2      PHE  59   9.820  -4.043   0.131
  445    HE1  PHE  59           HE1      PHE  59  12.381   0.048   1.062
  446    HE2  PHE  59           HE2      PHE  59  10.705  -2.704  -1.726
  447    HZ   PHE  59           HZ       PHE  59  11.988  -0.658  -1.265
  448    H    CYS  60           HN       CYS  60   8.399  -2.751   1.367
  449    HA   CYS  60           HA       CYS  60   5.636  -3.394   1.608
  450   1HB   CYS  60          HB2       CYS  60   5.527  -1.368  -0.107
  451   2HB   CYS  60          HB1       CYS  60   5.876  -1.115   1.599
  452    H    ILE  61           HN       ILE  61   4.205  -4.164   0.093
  453    HA   ILE  61           HA       ILE  61   5.402  -5.081  -2.430
  454    HB   ILE  61           HB       ILE  61   3.786  -6.980  -2.358
  455   1HG1  ILE  61          HG12      ILE  61   3.326  -5.910   0.433
  456   2HG1  ILE  61          HG11      ILE  61   2.125  -6.127  -0.837
  457   1HG2  ILE  61          HG21      ILE  61   5.870  -6.688  -0.207
  458   2HG2  ILE  61          HG22      ILE  61   6.037  -7.440  -1.794
  459   3HG2  ILE  61          HG23      ILE  61   5.054  -8.213  -0.549
  460   1HD1  ILE  61          HD11      ILE  61   2.604  -8.594  -0.702
  461   2HD1  ILE  61          HD12      ILE  61   1.807  -7.880   0.700
  462   3HD1  ILE  61          HD13      ILE  61   3.532  -8.245   0.756
  463    H    TYR  62           HN       TYR  62   2.763  -3.392  -0.979
  464    HA   TYR  62           HA       TYR  62   1.010  -2.177  -1.912
  465   1HB   TYR  62          HB2       TYR  62   3.047  -1.757  -3.585
  466   2HB   TYR  62          HB1       TYR  62   1.942  -2.587  -4.681
  467    HD1  TYR  62           HD1      TYR  62   2.987   0.489  -3.910
  468    HD2  TYR  62           HD2      TYR  62  -0.678  -1.649  -4.043
  469    HE1  TYR  62           HE1      TYR  62   1.787   2.610  -4.165
  470    HE2  TYR  62           HE2      TYR  62  -1.906   0.468  -4.313
  471    HH   TYR  62           HH       TYR  62  -0.271   3.477  -4.894
  472    H    LYS  63           HN       LYS  63  -0.884  -2.955  -1.888
  473    HA   LYS  63           HA       LYS  63  -1.912  -4.519  -4.073
  474   1HB   LYS  63          HB2       LYS  63  -2.725  -6.375  -2.763
  475   2HB   LYS  63          HB1       LYS  63  -0.988  -6.252  -2.527
  476   1HG   LYS  63          HG2       LYS  63  -1.406  -5.074  -0.392
  477   2HG   LYS  63          HG1       LYS  63  -3.135  -5.347  -0.621
  478   1HD   LYS  63          HD2       LYS  63  -2.374  -7.072   0.813
  479   2HD   LYS  63          HD1       LYS  63  -2.595  -7.807  -0.771
  480   1HE   LYS  63          HE2       LYS  63  -0.130  -7.373  -1.158
  481   2HE   LYS  63          HE1       LYS  63  -0.036  -7.029   0.565
  482   1HZ   LYS  63          HZ1       LYS  63  -0.869  -9.246   1.026
  483   2HZ   LYS  63          HZ2       LYS  63   0.542  -9.322   0.099
  484   3HZ   LYS  63          HZ3       LYS  63  -0.962  -9.581  -0.630
  485    H    ARG  64           HN       ARG  64  -3.975  -3.855  -4.456
  486    HA   ARG  64           HA       ARG  64  -5.426  -2.566  -2.250
  487   1HB   ARG  64          HB2       ARG  64  -6.290  -0.938  -4.000
  488   2HB   ARG  64          HB1       ARG  64  -4.613  -0.742  -3.511
  489   1HG   ARG  64          HG2       ARG  64  -4.490  -2.475  -5.669
  490   2HG   ARG  64          HG1       ARG  64  -5.724  -1.294  -6.117
  491   1HD   ARG  64          HD2       ARG  64  -2.998  -0.559  -5.062
  492   2HD   ARG  64          HD1       ARG  64  -3.386  -0.681  -6.779
  493    HE   ARG  64           HE       ARG  64  -5.201   1.046  -5.443
  494   1HH1  ARG  64          HH11      ARG  64  -1.955   0.883  -6.702
  495   2HH1  ARG  64          HH12      ARG  64  -1.835   2.590  -6.968
  496   1HH2  ARG  64          HH21      ARG  64  -5.050   3.295  -5.792
  497   2HH2  ARG  64          HH22      ARG  64  -3.592   3.961  -6.450
  498    H    CYS  65           HN       CYS  65  -7.728  -1.895  -3.663
  499    HA   CYS  65           HA       CYS  65  -8.703  -4.475  -4.673
  500   1HB   CYS  65          HB2       CYS  65 -10.023  -2.739  -2.580
  501   2HB   CYS  65          HB1       CYS  65 -10.826  -4.071  -3.404
  502    H    ARG  66           HN       ARG  66 -10.338  -4.364  -6.207
  503    HA   ARG  66           HA       ARG  66 -10.393  -2.024  -7.766
  504   1HB   ARG  66          HB2       ARG  66 -10.826  -4.260  -8.718
  505   2HB   ARG  66          HB1       ARG  66 -12.322  -4.361  -7.800
  506   1HG   ARG  66          HG2       ARG  66 -12.687  -3.782 -10.159
  507   2HG   ARG  66          HG1       ARG  66 -13.273  -2.537  -9.054
  508   1HD   ARG  66          HD2       ARG  66 -11.235  -1.237  -9.442
  509   2HD   ARG  66          HD1       ARG  66 -10.654  -2.479 -10.550
  510    HE   ARG  66           HE       ARG  66 -13.024  -1.811 -11.627
  511   1HH1  ARG  66          HH11      ARG  66 -10.322   0.100 -10.536
  512   2HH1  ARG  66          HH12      ARG  66 -10.599   1.374 -11.676
  513   1HH2  ARG  66          HH21      ARG  66 -13.396  -0.139 -13.130
  514   2HH2  ARG  66          HH22      ARG  66 -12.346   1.239 -13.150
  515    H    HIS  67           HN       HIS  67 -11.873  -0.392  -7.938
  516    HA   HIS  67           HA       HIS  67 -13.202   0.410  -5.619
  517   1HB   HIS  67          HB2       HIS  67 -13.616   1.256  -8.493
  518   2HB   HIS  67          HB1       HIS  67 -14.272   2.097  -7.098
  519    HD1  HIS  67           HD1      HIS  67 -11.255   1.797  -9.156
  520    HD2  HIS  67           HD2      HIS  67 -12.269   3.338  -5.433
  521    HE1  HIS  67           HE1      HIS  67  -9.340   3.289  -8.502
  522    HE2  HIS  67           HE2      HIS  67  -9.931   4.132  -6.202
  523    HA   PRO  68           HA       PRO  68 -16.789  -2.295  -5.788
  524   1HB   PRO  68          HB2       PRO  68 -18.374  -0.688  -4.170
  525   2HB   PRO  68          HB1       PRO  68 -17.283  -1.943  -3.584
  526   1HG   PRO  68          HG2       PRO  68 -16.882   1.007  -3.711
  527   2HG   PRO  68          HG1       PRO  68 -16.327  -0.154  -2.491
  528   1HD   PRO  68          HD2       PRO  68 -14.651   0.865  -4.339
  529   2HD   PRO  68          HD1       PRO  68 -14.492  -0.801  -3.748
  530    H    GLY  69           HN       GLY  69 -16.573   1.019  -6.664
  531   1HA   GLY  69          HA2       GLY  69 -17.494   1.603  -8.835
  532   2HA   GLY  69          HA1       GLY  69 -18.881   0.597  -8.445
  533    H    GLU  70           HN       GLU  70 -19.901   2.623  -9.179
  534    HA   GLU  70           HA       GLU  70 -19.914   4.821  -7.280
  535   1HB   GLU  70          HB2       GLU  70 -20.023   5.278  -9.732
  536   2HB   GLU  70          HB1       GLU  70 -21.558   4.423  -9.791
  537   1HG   GLU  70          HG2       GLU  70 -21.916   6.811  -9.759
  538   2HG   GLU  70          HG1       GLU  70 -22.537   6.075  -8.283
  539    H    LEU  71           HN       LEU  71 -21.404   5.235  -5.792
  540    HA   LEU  71           HA       LEU  71 -23.535   3.240  -5.480
  541   1HB   LEU  71          HB2       LEU  71 -21.824   4.490  -3.622
  542   2HB   LEU  71          HB1       LEU  71 -23.397   5.209  -3.361
  543    HG   LEU  71           HG       LEU  71 -22.606   2.322  -3.055
  544   1HD1  LEU  71          HD11      LEU  71 -23.369   2.589  -0.813
  545   2HD1  LEU  71          HD12      LEU  71 -24.025   4.188  -1.168
  546   3HD1  LEU  71          HD13      LEU  71 -22.279   3.927  -1.177
  547   1HD2  LEU  71          HD21      LEU  71 -25.364   3.478  -3.329
  548   2HD2  LEU  71          HD22      LEU  71 -25.055   1.974  -2.460
  549   3HD2  LEU  71          HD23      LEU  71 -24.658   2.101  -4.178
  550    H    ARG  72           HN       ARG  72 -25.232   3.851  -6.657
  551    HA   ARG  72           HA       ARG  72 -25.811   6.580  -7.239
  552   1HB   ARG  72          HB2       ARG  72 -26.540   4.824  -8.791
  553   2HB   ARG  72          HB1       ARG  72 -27.547   4.115  -7.531
  554   1HG   ARG  72          HG2       ARG  72 -29.032   5.977  -7.568
  555   2HG   ARG  72          HG1       ARG  72 -27.960   6.883  -8.641
  556   1HD   ARG  72          HD2       ARG  72 -28.284   5.087 -10.348
  557   2HD   ARG  72          HD1       ARG  72 -29.496   4.372  -9.287
  558    HE   ARG  72           HE       ARG  72 -30.313   6.953  -9.592
  559   1HH1  ARG  72          HH11      ARG  72 -29.548   4.352 -11.781
  560   2HH1  ARG  72          HH12      ARG  72 -30.654   4.883 -13.003
  561   1HH2  ARG  72          HH21      ARG  72 -31.769   7.662 -11.196
  562   2HH2  ARG  72          HH22      ARG  72 -31.915   6.765 -12.671
  563    H    ASN  73           HN       ASN  73 -28.452   4.823  -6.125
  564    HA   ASN  73           HA       ASN  73 -29.371   6.732  -4.410
  565   1HB   ASN  73          HB2       ASN  73 -29.866   3.746  -4.133
  566   2HB   ASN  73          HB1       ASN  73 -30.804   4.984  -3.303
  567   1HD2  ASN  73          HD21      ASN  73 -30.027   3.565  -6.393
  568   2HD2  ASN  73          HD22      ASN  73 -31.394   4.190  -7.244
  569    H    GLY  74           HN       GLY  74 -26.510   5.176  -4.040
  570   1HA   GLY  74          HA2       GLY  74 -26.573   5.744  -1.166
  571   2HA   GLY  74          HA1       GLY  74 -25.648   4.423  -1.856
  572    H    GLN  75           HN       GLN  75 -24.038   5.791  -0.429
  573    HA   GLN  75           HA       GLN  75 -22.482   7.360  -2.344
  574   1HB   GLN  75          HB2       GLN  75 -23.267   8.303   0.415
  575   2HB   GLN  75          HB1       GLN  75 -21.962   9.022  -0.518
  576   1HG   GLN  75          HG2       GLN  75 -23.530   9.651  -2.262
  577   2HG   GLN  75          HG1       GLN  75 -24.846   8.887  -1.372
  578   1HE2  GLN  75          HE21      GLN  75 -25.658   9.874   0.463
  579   2HE2  GLN  75          HE22      GLN  75 -25.315  11.519   0.860
  580    H    VAL  76           HN       VAL  76 -21.354   5.262  -2.297
  581    HA   VAL  76           HA       VAL  76 -20.141   4.054  -0.188
  582    HB   VAL  76           HB       VAL  76 -19.877   2.892  -2.129
  583   1HG1  VAL  76          HG11      VAL  76 -18.758   5.349  -3.447
  584   2HG1  VAL  76          HG12      VAL  76 -20.392   4.713  -3.637
  585   3HG1  VAL  76          HG13      VAL  76 -19.011   3.780  -4.213
  586   1HG2  VAL  76          HG21      VAL  76 -17.794   2.828  -0.863
  587   2HG2  VAL  76          HG22      VAL  76 -17.190   4.210  -1.779
  588   3HG2  VAL  76          HG23      VAL  76 -17.493   2.676  -2.595
  589    H    GLU  77           HN       GLU  77 -18.814   4.776   1.355
  590    HA   GLU  77           HA       GLU  77 -17.358   7.230   1.057
  591   1HB   GLU  77          HB2       GLU  77 -18.248   6.778   3.221
  592   2HB   GLU  77          HB1       GLU  77 -17.503   5.186   3.270
  593   1HG   GLU  77          HG2       GLU  77 -16.218   6.555   4.683
  594   2HG   GLU  77          HG1       GLU  77 -15.275   6.357   3.211
  595    H    ILE  78           HN       ILE  78 -15.722   7.109  -0.384
  596    HA   ILE  78           HA       ILE  78 -13.672   5.038   0.064
  597    HB   ILE  78           HB       ILE  78 -14.466   6.431  -2.489
  598   1HG1  ILE  78          HG12      ILE  78 -15.753   4.443  -1.945
  599   2HG1  ILE  78          HG11      ILE  78 -14.697   4.114  -3.313
  600   1HG2  ILE  78          HG21      ILE  78 -12.569   5.140  -3.529
  601   2HG2  ILE  78          HG22      ILE  78 -11.963   4.873  -1.894
  602   3HG2  ILE  78          HG23      ILE  78 -12.100   6.513  -2.526
  603   1HD1  ILE  78          HD11      ILE  78 -14.157   3.305  -0.467
  604   2HD1  ILE  78          HD12      ILE  78 -13.155   2.929  -1.869
  605   3HD1  ILE  78          HD13      ILE  78 -14.778   2.251  -1.737
  606    H    LYS  79           HN       LYS  79 -11.508   5.665   0.082
  607    HA   LYS  79           HA       LYS  79 -10.675   8.348  -0.345
  608   1HB   LYS  79          HB2       LYS  79 -10.126   8.918   1.981
  609   2HB   LYS  79          HB1       LYS  79 -11.857   8.717   1.762
  610   1HG   LYS  79          HG2       LYS  79 -10.017   6.634   2.925
  611   2HG   LYS  79          HG1       LYS  79 -11.003   7.751   3.868
  612   1HD   LYS  79          HD2       LYS  79 -13.003   6.800   2.604
  613   2HD   LYS  79          HD1       LYS  79 -11.911   5.518   2.067
  614   1HE   LYS  79          HE2       LYS  79 -11.426   4.981   4.421
  615   2HE   LYS  79          HE1       LYS  79 -12.570   6.222   4.926
  616   1HZ   LYS  79          HZ1       LYS  79 -14.330   5.000   3.801
  617   2HZ   LYS  79          HZ2       LYS  79 -13.578   4.035   4.970
  618   3HZ   LYS  79          HZ3       LYS  79 -13.228   3.804   3.332
  619    H    THR  80           HN       THR  80  -9.998   5.429   1.531
  620    HA   THR  80           HA       THR  80  -7.186   5.730   1.456
  621    HB   THR  80           HB       THR  80  -7.070   3.565   2.450
  622    HG1  THR  80           HG1      THR  80  -8.859   2.161   2.439
  623   1HG2  THR  80          HG21      THR  80  -7.795   4.904   4.154
  624   2HG2  THR  80          HG22      THR  80  -9.167   3.796   4.080
  625   3HG2  THR  80          HG23      THR  80  -9.266   5.379   3.302
  626    H    ASP  81           HN       ASP  81  -9.031   5.327  -1.158
  627    HA   ASP  81           HA       ASP  81  -8.630   4.500  -3.292
  628   1HB   ASP  81          HB2       ASP  81  -5.870   4.163  -2.142
  629   2HB   ASP  81          HB1       ASP  81  -6.271   4.011  -3.851
  630    H    LEU  82           HN       LEU  82  -8.886   2.714  -0.701
  631    HA   LEU  82           HA       LEU  82  -9.241   0.517  -0.241
  632   1HB   LEU  82          HB2       LEU  82  -9.087   0.304  -3.244
  633   2HB   LEU  82          HB1       LEU  82  -9.536  -1.028  -2.201
  634    HG   LEU  82           HG       LEU  82 -11.570  -0.205  -3.018
  635   1HD1  LEU  82          HD11      LEU  82 -11.197   1.210  -0.386
  636   2HD1  LEU  82          HD12      LEU  82 -11.562  -0.506  -0.576
  637   3HD1  LEU  82          HD13      LEU  82 -12.724   0.708  -1.110
  638   1HD2  LEU  82          HD21      LEU  82 -10.572   2.578  -2.437
  639   2HD2  LEU  82          HD22      LEU  82 -12.179   2.172  -3.038
  640   3HD2  LEU  82          HD23      LEU  82 -10.757   1.840  -4.027
  641    H    SER  83           HN       SER  83  -6.774   1.298   0.292
  642    HA   SER  83           HA       SER  83  -4.750  -0.159  -1.117
  643   1HB   SER  83          HB2       SER  83  -3.253   0.669   0.689
  644   2HB   SER  83          HB1       SER  83  -4.192   1.956  -0.069
  645    HG   SER  83           HG       SER  83  -5.256   0.707   2.192
  646    H    PHE  84           HN       PHE  84  -6.878  -1.836  -0.027
  647    HA   PHE  84           HA       PHE  84  -7.179  -3.803   1.071
  648   1HB   PHE  84          HB2       PHE  84  -5.492  -4.852  -0.107
  649   2HB   PHE  84          HB1       PHE  84  -4.244  -3.776   0.516
  650    HD1  PHE  84           HD1      PHE  84  -2.837  -4.506   2.193
  651    HD2  PHE  84           HD2      PHE  84  -6.564  -6.474   1.616
  652    HE1  PHE  84           HE1      PHE  84  -2.205  -6.185   3.876
  653    HE2  PHE  84           HE2      PHE  84  -5.939  -8.158   3.298
  654    HZ   PHE  84           HZ       PHE  84  -3.757  -8.014   4.431
  655    H    GLY  85           HN       GLY  85  -7.616  -4.391   3.163
  656   1HA   GLY  85          HA2       GLY  85  -7.274  -4.596   5.449
  657   2HA   GLY  85          HA1       GLY  85  -5.783  -3.674   5.288
  658    H    SER  86           HN       SER  86  -8.788  -2.551   3.925
  659    HA   SER  86           HA       SER  86  -9.023  -0.608   6.107
  660   1HB   SER  86          HB2       SER  86  -9.149   0.010   3.155
  661   2HB   SER  86          HB1       SER  86  -9.585   1.146   4.434
  662    HG   SER  86           HG       SER  86  -7.076   0.202   3.656
  663    H    GLN  87           HN       GLN  87 -11.025   0.571   6.097
  664    HA   GLN  87           HA       GLN  87 -13.279  -1.162   5.323
  665   1HB   GLN  87          HB2       GLN  87 -12.941  -1.125   7.757
  666   2HB   GLN  87          HB1       GLN  87 -13.029   0.630   7.750
  667   1HG   GLN  87          HG2       GLN  87 -15.289  -1.130   6.849
  668   2HG   GLN  87          HG1       GLN  87 -15.094  -0.574   8.511
  669   1HE2  GLN  87          HE21      GLN  87 -13.951   1.978   7.587
  670   2HE2  GLN  87          HE22      GLN  87 -15.289   2.917   7.037
  671    H    ILE  88           HN       ILE  88 -14.882  -0.227   4.141
  672    HA   ILE  88           HA       ILE  88 -14.817   2.705   3.843
  673    HB   ILE  88           HB       ILE  88 -15.501   2.410   1.471
  674   1HG1  ILE  88          HG12      ILE  88 -14.523  -0.427   1.697
  675   2HG1  ILE  88          HG11      ILE  88 -16.227  -0.033   1.899
  676   1HG2  ILE  88          HG21      ILE  88 -13.263   1.896   0.645
  677   2HG2  ILE  88          HG22      ILE  88 -12.838   1.206   2.212
  678   3HG2  ILE  88          HG23      ILE  88 -13.195   2.927   2.074
  679   1HD1  ILE  88          HD11      ILE  88 -14.633   0.709  -0.536
  680   2HD1  ILE  88          HD12      ILE  88 -16.382   0.788  -0.321
  681   3HD1  ILE  88          HD13      ILE  88 -15.570  -0.777  -0.387
  682    H    GLU  89           HN       GLU  89 -16.530   3.158   5.138
  683    HA   GLU  89           HA       GLU  89 -18.952   1.729   5.206
  684   1HB   GLU  89          HB2       GLU  89 -18.972   4.675   5.686
  685   2HB   GLU  89          HB1       GLU  89 -19.732   3.387   6.610
  686   1HG   GLU  89          HG2       GLU  89 -17.550   2.747   7.507
  687   2HG   GLU  89          HG1       GLU  89 -16.800   4.050   6.584
  688    H    PHE  90           HN       PHE  90 -21.089   2.947   4.597
  689    HA   PHE  90           HA       PHE  90 -20.801   4.236   1.982
  690   1HB   PHE  90          HB2       PHE  90 -22.706   1.965   2.591
  691   2HB   PHE  90          HB1       PHE  90 -22.684   2.893   1.097
  692    HD1  PHE  90           HD1      PHE  90 -20.977   0.339   3.083
  693    HD2  PHE  90           HD2      PHE  90 -20.940   2.561  -0.553
  694    HE1  PHE  90           HE1      PHE  90 -19.340  -1.234   2.135
  695    HE2  PHE  90           HE2      PHE  90 -19.307   0.999  -1.502
  696    HZ   PHE  90           HZ       PHE  90 -18.503  -0.908  -0.159
  697    H    SER  91           HN       SER  91 -23.425   4.706   1.369
  698    HA   SER  91           HA       SER  91 -24.854   5.669   3.662
  699   1HB   SER  91          HB2       SER  91 -23.565   7.719   1.853
  700   2HB   SER  91          HB1       SER  91 -24.746   8.065   3.115
  701    HG   SER  91           HG       SER  91 -22.132   7.018   3.434
  702    H    CYS  92           HN       CYS  92 -26.838   5.121   3.105
  703    HA   CYS  92           HA       CYS  92 -27.654   5.364   0.318
  704   1HB   CYS  92          HB2       CYS  92 -28.895   4.032   2.708
  705   2HB   CYS  92          HB1       CYS  92 -29.859   4.381   1.278
  706    H    SER  93           HN       SER  93 -28.728   6.980  -0.454
  707    HA   SER  93           HA       SER  93 -29.042   9.421   0.606
  708   1HB   SER  93          HB2       SER  93 -30.801   8.045  -1.412
  709   2HB   SER  93          HB1       SER  93 -30.944   9.762  -1.032
  710    HG   SER  93           HG       SER  93 -29.049   8.433  -2.508
  711    H    GLU  94           HN       GLU  94 -31.026  10.683   0.945
  712    HA   GLU  94           HA       GLU  94 -32.226  10.501   3.319
  713   1HB   GLU  94          HB2       GLU  94 -32.607  12.391   1.940
  714   2HB   GLU  94          HB1       GLU  94 -33.428  11.420   0.727
  715   1HG   GLU  94          HG2       GLU  94 -35.298  11.081   2.155
  716   2HG   GLU  94          HG1       GLU  94 -34.460  11.823   3.517
  717    H    GLY  95           HN       GLY  95 -34.263   9.436   0.608
  718   1HA   GLY  95          HA2       GLY  95 -35.968   8.070   2.475
  719   2HA   GLY  95          HA1       GLY  95 -36.167   8.133   0.735
  720    H    PHE  96           HN       PHE  96 -33.127   7.091   0.887
  721    HA   PHE  96           HA       PHE  96 -34.023   4.281   0.894
  722   1HB   PHE  96          HB2       PHE  96 -31.577   5.390  -0.492
  723   2HB   PHE  96          HB1       PHE  96 -32.298   3.797  -0.697
  724    HD1  PHE  96           HD1      PHE  96 -32.185   7.151  -1.876
  725    HD2  PHE  96           HD2      PHE  96 -34.636   3.679  -1.704
  726    HE1  PHE  96           HE1      PHE  96 -33.517   8.005  -3.760
  727    HE2  PHE  96           HE2      PHE  96 -35.974   4.523  -3.587
  728    HZ   PHE  96           HZ       PHE  96 -35.415   6.690  -4.619
  729    H    PHE  97           HN       PHE  97 -33.171   2.932   2.358
  730    HA   PHE  97           HA       PHE  97 -30.957   3.947   3.983
  731   1HB   PHE  97          HB2       PHE  97 -31.612   2.398   5.701
  732   2HB   PHE  97          HB1       PHE  97 -33.042   3.269   5.164
  733    HD1  PHE  97           HD1      PHE  97 -31.579   0.083   5.739
  734    HD2  PHE  97           HD2      PHE  97 -34.586   2.100   3.502
  735    HE1  PHE  97           HE1      PHE  97 -32.753  -2.052   5.396
  736    HE2  PHE  97           HE2      PHE  97 -35.761  -0.033   3.150
  737    HZ   PHE  97           HZ       PHE  97 -34.846  -2.112   4.100
  738    H    LEU  98           HN       LEU  98 -29.355   2.428   4.720
  739    HA   LEU  98           HA       LEU  98 -28.279   0.999   2.451
  740   1HB   LEU  98          HB2       LEU  98 -27.011   2.512   4.049
  741   2HB   LEU  98          HB1       LEU  98 -27.065   1.180   5.189
  742    HG   LEU  98           HG       LEU  98 -25.964   0.787   2.426
  743   1HD1  LEU  98          HD11      LEU  98 -24.796   2.695   3.301
  744   2HD1  LEU  98          HD12      LEU  98 -23.740   1.284   3.342
  745   3HD1  LEU  98          HD13      LEU  98 -24.502   1.859   4.825
  746   1HD2  LEU  98          HD21      LEU  98 -25.446  -0.542   5.081
  747   2HD2  LEU  98          HD22      LEU  98 -24.662  -0.956   3.556
  748   3HD2  LEU  98          HD23      LEU  98 -26.398  -1.200   3.751
  749    H    ILE  99           HN       ILE  99 -27.966  -1.122   2.239
  750    HA   ILE  99           HA       ILE  99 -28.304  -3.021   4.404
  751    HB   ILE  99           HB       ILE  99 -29.859  -3.851   2.078
  752   1HG1  ILE  99          HG12      ILE  99 -31.114  -1.717   3.779
  753   2HG1  ILE  99          HG11      ILE  99 -30.313  -1.336   2.261
  754   1HG2  ILE  99          HG21      ILE  99 -29.825  -5.104   4.138
  755   2HG2  ILE  99          HG22      ILE  99 -31.459  -4.522   3.823
  756   3HG2  ILE  99          HG23      ILE  99 -30.455  -3.717   5.027
  757   1HD1  ILE  99          HD11      ILE  99 -32.669  -1.515   1.892
  758   2HD1  ILE  99          HD12      ILE  99 -32.705  -3.116   2.632
  759   3HD1  ILE  99          HD13      ILE  99 -31.858  -2.870   1.104
  760    H    GLY 100           HN       GLY 100 -26.364  -3.798   4.099
  761   1HA   GLY 100          HA2       GLY 100 -25.630  -5.779   2.447
  762   2HA   GLY 100          HA1       GLY 100 -25.252  -4.351   1.490
  763    H    SER 101           HN       SER 101 -25.091  -4.412   4.942
  764    HA   SER 101           HA       SER 101 -23.386  -4.250   6.442
  765   1HB   SER 101          HB2       SER 101 -22.442  -6.240   5.207
  766   2HB   SER 101          HB1       SER 101 -21.524  -5.108   4.215
  767    HG   SER 101           HG       SER 101 -20.666  -6.103   6.368
  768    H    THR 102           HN       THR 102 -23.027  -2.182   6.995
  769    HA   THR 102           HA       THR 102 -22.350  -0.207   5.025
  770    HB   THR 102           HB       THR 102 -22.478   1.416   6.792
  771    HG1  THR 102           HG1      THR 102 -22.792  -0.623   8.728
  772   1HG2  THR 102          HG21      THR 102 -24.566  -0.668   7.419
  773   2HG2  THR 102          HG22      THR 102 -24.613   0.364   5.989
  774   3HG2  THR 102          HG23      THR 102 -24.703   1.082   7.597
  775    H    THR 103           HN       THR 103 -20.459  -2.404   5.583
  776    HA   THR 103           HA       THR 103 -18.079  -0.778   5.858
  777    HB   THR 103           HB       THR 103 -17.018  -2.387   7.389
  778    HG1  THR 103           HG1      THR 103 -18.459  -4.167   6.912
  779   1HG2  THR 103          HG21      THR 103 -18.337  -1.781   9.448
  780   2HG2  THR 103          HG22      THR 103 -19.530  -1.053   8.370
  781   3HG2  THR 103          HG23      THR 103 -17.882  -0.425   8.415
  782    H    SER 104           HN       SER 104 -16.314  -1.701   4.697
  783    HA   SER 104           HA       SER 104 -16.755  -4.309   3.496
  784   1HB   SER 104          HB2       SER 104 -16.383  -1.743   1.937
  785   2HB   SER 104          HB1       SER 104 -16.040  -3.331   1.250
  786    HG   SER 104           HG       SER 104 -18.405  -3.529   2.339
  787    H    ARG 105           HN       ARG 105 -15.009  -5.421   3.969
  788    HA   ARG 105           HA       ARG 105 -12.429  -4.046   4.303
  789   1HB   ARG 105          HB2       ARG 105 -13.176  -6.873   5.083
  790   2HB   ARG 105          HB1       ARG 105 -11.711  -6.011   5.530
  791   1HG   ARG 105          HG2       ARG 105 -13.069  -4.405   6.806
  792   2HG   ARG 105          HG1       ARG 105 -14.513  -5.334   6.398
  793   1HD   ARG 105          HD2       ARG 105 -13.428  -7.319   7.475
  794   2HD   ARG 105          HD1       ARG 105 -12.152  -6.239   8.034
  795    HE   ARG 105           HE       ARG 105 -14.409  -5.049   8.932
  796   1HH1  ARG 105          HH11      ARG 105 -13.134  -8.279   9.195
  797   2HH1  ARG 105          HH12      ARG 105 -13.869  -8.584  10.734
  798   1HH2  ARG 105          HH21      ARG 105 -15.383  -5.440  10.959
  799   2HH2  ARG 105          HH22      ARG 105 -15.147  -6.970  11.736
  800    H    CYS 106           HN       CYS 106 -10.520  -4.914   3.349
  801    HA   CYS 106           HA       CYS 106 -11.017  -5.942   0.703
  802   1HB   CYS 106          HB2       CYS 106  -8.802  -4.592   2.094
  803   2HB   CYS 106          HB1       CYS 106  -8.320  -5.729   0.839
  804    H    GLU 107           HN       GLU 107  -8.466  -6.825   2.981
  805    HA   GLU 107           HA       GLU 107  -7.586  -8.843   3.585
  806   1HB   GLU 107          HB2       GLU 107 -10.275  -9.849   2.632
  807   2HB   GLU 107          HB1       GLU 107  -9.058 -10.879   3.370
  808   1HG   GLU 107          HG2       GLU 107 -10.514  -8.575   4.639
  809   2HG   GLU 107          HG1       GLU 107 -10.666 -10.288   5.028
  810    H    VAL 108           HN       VAL 108  -6.969 -11.008   2.545
  811    HA   VAL 108           HA       VAL 108  -6.811 -10.734  -0.391
  812    HB   VAL 108           HB       VAL 108  -4.452 -11.436   1.342
  813   1HG1  VAL 108          HG11      VAL 108  -4.434 -10.959  -1.636
  814   2HG1  VAL 108          HG12      VAL 108  -4.692 -12.567  -0.957
  815   3HG1  VAL 108          HG13      VAL 108  -3.187 -11.706  -0.632
  816   1HG2  VAL 108          HG21      VAL 108  -3.520  -9.335   0.705
  817   2HG2  VAL 108          HG22      VAL 108  -5.142  -9.032   1.329
  818   3HG2  VAL 108          HG23      VAL 108  -4.850  -9.021  -0.411
  819    H    GLN 109           HN       GLN 109  -7.100 -12.459  -1.557
  820    HA   GLN 109           HA       GLN 109  -6.380 -15.106  -0.871
  821   1HB   GLN 109          HB2       GLN 109  -8.705 -16.004  -0.607
  822   2HB   GLN 109          HB1       GLN 109  -8.175 -14.986   0.730
  823   1HG   GLN 109          HG2       GLN 109  -9.399 -13.104  -0.202
  824   2HG   GLN 109          HG1       GLN 109  -9.904 -14.096  -1.567
  825   1HE2  GLN 109          HE21      GLN 109 -12.080 -13.769  -1.084
  826   2HE2  GLN 109          HE22      GLN 109 -12.854 -14.554   0.246
  827    H    ASP 110           HN       ASP 110  -6.429 -13.183  -3.111
  828    HA   ASP 110           HA       ASP 110  -7.384 -15.024  -5.121
  829   1HB   ASP 110          HB2       ASP 110  -8.389 -12.183  -4.953
  830   2HB   ASP 110          HB1       ASP 110  -8.585 -13.216  -6.366
  831    H    ARG 111           HN       ARG 111  -7.059 -11.947  -6.409
  832    HA   ARG 111           HA       ARG 111  -4.519 -12.653  -7.539
  833   1HB   ARG 111          HB2       ARG 111  -6.679 -10.739  -8.179
  834   2HB   ARG 111          HB1       ARG 111  -5.057 -10.271  -8.659
  835   1HG   ARG 111          HG2       ARG 111  -6.354 -12.880  -9.412
  836   2HG   ARG 111          HG1       ARG 111  -6.350 -11.437 -10.428
  837   1HD   ARG 111          HD2       ARG 111  -3.925 -11.470 -10.511
  838   2HD   ARG 111          HD1       ARG 111  -3.887 -12.860  -9.426
  839    HE   ARG 111           HE       ARG 111  -5.421 -13.656 -11.553
  840   1HH1  ARG 111          HH11      ARG 111  -2.185 -12.436 -11.132
  841   2HH1  ARG 111          HH12      ARG 111  -1.544 -13.298 -12.490
  842   1HH2  ARG 111          HH21      ARG 111  -4.586 -14.797 -13.343
  843   2HH2  ARG 111          HH22      ARG 111  -2.910 -14.640 -13.748
  844    H    GLY 112           HN       GLY 112  -4.053 -12.315  -4.988
  845   1HA   GLY 112          HA2       GLY 112  -2.222 -11.268  -3.918
  846   2HA   GLY 112          HA1       GLY 112  -2.402  -9.894  -5.003
  847    H    VAL 113           HN       VAL 113  -5.419 -10.358  -4.361
  848    HA   VAL 113           HA       VAL 113  -5.793  -9.743  -1.675
  849    HB   VAL 113           HB       VAL 113  -4.969  -7.632  -1.722
  850   1HG1  VAL 113          HG11      VAL 113  -4.587  -6.327  -3.614
  851   2HG1  VAL 113          HG12      VAL 113  -5.937  -7.044  -4.498
  852   3HG1  VAL 113          HG13      VAL 113  -4.463  -7.978  -4.228
  853   1HG2  VAL 113          HG21      VAL 113  -6.740  -5.961  -2.050
  854   2HG2  VAL 113          HG22      VAL 113  -7.293  -7.364  -1.136
  855   3HG2  VAL 113          HG23      VAL 113  -7.732  -7.190  -2.835
  856    H    GLY 114           HN       GLY 114  -7.869  -9.794  -1.091
  857   1HA   GLY 114          HA2       GLY 114  -9.783 -10.152  -3.318
  858   2HA   GLY 114          HA1       GLY 114  -9.907 -10.969  -1.766
  859    H    TRP 115           HN       TRP 115 -11.941  -9.379  -3.052
  860    HA   TRP 115           HA       TRP 115 -12.179  -7.150  -1.180
  861   1HB   TRP 115          HB2       TRP 115 -12.801  -7.388  -3.904
  862   2HB   TRP 115          HB1       TRP 115 -14.354  -7.378  -3.083
  863    HD1  TRP 115           HD1      TRP 115 -12.765  -5.015  -4.912
  864    HE1  TRP 115           HE1      TRP 115 -12.825  -2.632  -3.937
  865    HE3  TRP 115           HE3      TRP 115 -13.895  -6.136  -0.054
  866    HZ2  TRP 115           HZ2      TRP 115 -13.290  -1.394  -1.458
  867    HZ3  TRP 115           HZ3      TRP 115 -14.130  -4.291   1.553
  868    HH2  TRP 115           HH2      TRP 115 -13.832  -1.969   0.866
  869    H    SER 116           HN       SER 116 -12.990  -7.934   0.724
  870    HA   SER 116           HA       SER 116 -14.628 -10.116   1.088
  871   1HB   SER 116          HB2       SER 116 -13.556  -8.937   2.949
  872   2HB   SER 116          HB1       SER 116 -14.644  -7.568   2.720
  873    HG   SER 116           HG       SER 116 -15.197  -9.235   4.377
  874    H    HIS 117           HN       HIS 117 -15.727  -6.720   0.801
  875    HA   HIS 117           HA       HIS 117 -18.184  -7.659  -0.454
  876   1HB   HIS 117          HB2       HIS 117 -18.163  -6.009   2.081
  877   2HB   HIS 117          HB1       HIS 117 -19.585  -6.253   1.071
  878    HD1  HIS 117           HD1      HIS 117 -17.905  -7.627   3.934
  879    HD2  HIS 117           HD2      HIS 117 -20.242  -9.156   0.857
  880    HE1  HIS 117           HE1      HIS 117 -18.706  -9.868   4.748
  881    HE2  HIS 117           HE2      HIS 117 -20.063 -10.804   2.842
  882    HA   PRO 118           HA       PRO 118 -17.562  -3.744  -2.535
  883   1HB   PRO 118          HB2       PRO 118 -19.208  -4.145  -4.527
  884   2HB   PRO 118          HB1       PRO 118 -17.913  -5.322  -4.255
  885   1HG   PRO 118          HG2       PRO 118 -20.819  -5.494  -3.567
  886   2HG   PRO 118          HG1       PRO 118 -19.744  -6.761  -4.194
  887   1HD   PRO 118          HD2       PRO 118 -20.418  -6.291  -1.479
  888   2HD   PRO 118          HD1       PRO 118 -19.159  -7.389  -2.082
  889    H    LEU 119           HN       LEU 119 -20.092  -3.028  -4.052
  890    HA   LEU 119           HA       LEU 119 -21.025  -0.991  -2.363
  891   1HB   LEU 119          HB2       LEU 119 -22.001  -2.135  -4.962
  892   2HB   LEU 119          HB1       LEU 119 -22.802  -0.804  -4.169
  893    HG   LEU 119           HG       LEU 119 -20.072  -0.854  -5.405
  894   1HD1  LEU 119          HD11      LEU 119 -22.469   0.943  -5.715
  895   2HD1  LEU 119          HD12      LEU 119 -21.919  -0.281  -6.859
  896   3HD1  LEU 119          HD13      LEU 119 -20.927   1.142  -6.547
  897   1HD2  LEU 119          HD21      LEU 119 -20.016   0.123  -3.085
  898   2HD2  LEU 119          HD22      LEU 119 -21.129   1.367  -3.675
  899   3HD2  LEU 119          HD23      LEU 119 -19.521   1.209  -4.386
  900    HA   PRO 120           HA       PRO 120 -24.435  -3.058  -0.381
  901   1HB   PRO 120          HB2       PRO 120 -25.517  -0.971   0.849
  902   2HB   PRO 120          HB1       PRO 120 -23.866  -1.476   1.232
  903   1HG   PRO 120          HG2       PRO 120 -24.817   0.824  -0.407
  904   2HG   PRO 120          HG1       PRO 120 -23.397   0.706   0.645
  905   1HD   PRO 120          HD2       PRO 120 -23.461   0.392  -2.168
  906   2HD   PRO 120          HD1       PRO 120 -22.095   0.049  -1.090
  907    H    GLN 121           HN       GLN 121 -26.904  -2.380   0.089
  908    HA   GLN 121           HA       GLN 121 -28.107  -1.822  -2.544
  909   1HB   GLN 121          HB2       GLN 121 -28.397  -4.118  -1.430
  910   2HB   GLN 121          HB1       GLN 121 -29.450  -3.296  -0.291
  911   1HG   GLN 121          HG2       GLN 121 -30.927  -2.626  -2.080
  912   2HG   GLN 121          HG1       GLN 121 -29.852  -3.355  -3.271
  913   1HE2  GLN 121          HE21      GLN 121 -29.259  -5.640  -1.545
  914   2HE2  GLN 121          HE22      GLN 121 -30.657  -6.652  -1.600
  915    H    CYS 122           HN       CYS 122 -29.101   0.112  -2.719
  916    HA   CYS 122           HA       CYS 122 -30.089   1.338  -0.244
  917   1HB   CYS 122          HB2       CYS 122 -29.389   2.497  -2.932
  918   2HB   CYS 122          HB1       CYS 122 -30.302   3.405  -1.732
  919    H    GLU 123           HN       GLU 123 -32.128   0.901   0.209
  920    HA   GLU 123           HA       GLU 123 -34.129   0.910  -1.970
  921   1HB   GLU 123          HB2       GLU 123 -33.778  -1.382  -1.178
  922   2HB   GLU 123          HB1       GLU 123 -34.039  -0.864   0.481
  923   1HG   GLU 123          HG2       GLU 123 -36.032  -1.901  -0.235
  924   2HG   GLU 123          HG1       GLU 123 -36.347  -0.167  -0.202
  925    H    ILE 124           HN       ILE 124 -36.112   1.725  -1.525
  926    HA   ILE 124           HA       ILE 124 -36.118   4.000   0.173
  927    HB   ILE 124           HB       ILE 124 -37.367   3.877  -1.962
  928   1HG1  ILE 124          HG12      ILE 124 -39.522   4.866  -1.064
  929   2HG1  ILE 124          HG11      ILE 124 -38.938   4.466   0.548
  930   1HG2  ILE 124          HG21      ILE 124 -39.530   2.700  -2.019
  931   2HG2  ILE 124          HG22      ILE 124 -39.161   1.989  -0.448
  932   3HG2  ILE 124          HG23      ILE 124 -38.162   1.601  -1.848
  933   1HD1  ILE 124          HD11      ILE 124 -36.956   5.881   0.128
  934   2HD1  ILE 124          HD12      ILE 124 -38.479   6.768   0.088
  935   3HD1  ILE 124          HD13      ILE 124 -37.664   6.348  -1.418
  936    H    LEU 125           HN       LEU 125 -37.128   4.365   2.096
  937    HA   LEU 125           HA       LEU 125 -37.513   2.182   3.850
  938   1HB   LEU 125          HB2       LEU 125 -38.179   5.111   4.078
  939   2HB   LEU 125          HB1       LEU 125 -38.453   3.973   5.382
  940    HG   LEU 125           HG       LEU 125 -35.743   4.461   4.151
  941   1HD1  LEU 125          HD11      LEU 125 -37.028   5.714   6.569
  942   2HD1  LEU 125          HD12      LEU 125 -36.449   6.533   5.119
  943   3HD1  LEU 125          HD13      LEU 125 -35.301   5.774   6.222
  944   1HD2  LEU 125          HD21      LEU 125 -36.579   3.149   6.733
  945   2HD2  LEU 125          HD22      LEU 125 -34.923   3.379   6.173
  946   3HD2  LEU 125          HD23      LEU 125 -36.014   2.312   5.287
  947    H    GLU 126           HN       GLU 126 -39.904   4.666   2.944
  948    HA   GLU 126           HA       GLU 126 -41.908   2.760   2.255
  949   1HB   GLU 126          HB2       GLU 126 -41.943   2.500   4.705
  950   2HB   GLU 126          HB1       GLU 126 -42.229   4.226   4.882
  951   1HG   GLU 126          HG2       GLU 126 -44.357   3.965   3.663
  952   2HG   GLU 126          HG1       GLU 126 -44.077   2.226   3.601
  953    H    HIS 127           HN       HIS 127 -40.873   5.993   2.940
  954    HA   HIS 127           HA       HIS 127 -43.238   7.308   2.008
  955   1HB   HIS 127          HB2       HIS 127 -41.649   8.361   3.591
  956   2HB   HIS 127          HB1       HIS 127 -40.432   8.398   2.319
  957    HD1  HIS 127           HD1      HIS 127 -43.654  10.015   3.358
  958    HD2  HIS 127           HD2      HIS 127 -40.702  10.449   0.466
  959    HE1  HIS 127           HE1      HIS 127 -44.117  12.226   2.251
  960    HE2  HIS 127           HE2      HIS 127 -42.336  12.453   0.482
  961    H    HIS 128           HN       HIS 128 -43.764   7.984   0.005
  962    HA   HIS 128           HA       HIS 128 -42.391   6.894  -2.236
  963   1HB   HIS 128          HB2       HIS 128 -44.836   7.245  -2.202
  964   2HB   HIS 128          HB1       HIS 128 -44.577   8.986  -2.167
  965    HD1  HIS 128           HD1      HIS 128 -44.173  10.144  -4.369
  966    HD2  HIS 128           HD2      HIS 128 -44.106   6.002  -4.687
  967    HE1  HIS 128           HE1      HIS 128 -44.122   9.660  -6.836
  968    HE2  HIS 128           HE2      HIS 128 -43.981   7.150  -7.001
  969    H    HIS 129           HN       HIS 129 -40.744   7.704  -3.344
  970    HA   HIS 129           HA       HIS 129 -39.466  10.108  -2.618
  971   1HB   HIS 129          HB2       HIS 129 -37.967   9.669  -4.484
  972   2HB   HIS 129          HB1       HIS 129 -38.296   8.172  -3.618
  973    HD1  HIS 129           HD1      HIS 129 -39.928   6.463  -4.815
  974    HD2  HIS 129           HD2      HIS 129 -38.684   9.675  -7.142
  975    HE1  HIS 129           HE1      HIS 129 -40.470   5.826  -7.186
  976    HE2  HIS 129           HE2      HIS 129 -39.804   7.828  -8.564
  977    H    HIS 130           HN       HIS 130 -39.215  12.056  -3.739
  978    HA   HIS 130           HA       HIS 130 -41.135  12.581  -5.900
  979   1HB   HIS 130          HB2       HIS 130 -42.084  13.424  -3.777
  980   2HB   HIS 130          HB1       HIS 130 -40.644  14.406  -3.535
  981    HD1  HIS 130           HD1      HIS 130 -40.426  16.558  -4.927
  982    HD2  HIS 130           HD2      HIS 130 -43.880  14.389  -5.718
  983    HE1  HIS 130           HE1      HIS 130 -41.888  18.092  -6.281
  984    HE2  HIS 130           HE2      HIS 130 -43.948  16.737  -6.799
  985    H    HIS 131           HN       HIS 131 -40.531  14.241  -7.347
  986    HA   HIS 131           HA       HIS 131 -37.877  14.324  -8.092
  987   1HB   HIS 131          HB2       HIS 131 -40.015  16.393  -8.634
  988   2HB   HIS 131          HB1       HIS 131 -38.496  16.249  -9.513
  989    HD1  HIS 131           HD1      HIS 131 -41.899  14.821  -9.277
  990    HD2  HIS 131           HD2      HIS 131 -38.318  13.957 -11.202
  991    HE1  HIS 131           HE1      HIS 131 -42.474  13.119 -11.038
  992    HE2  HIS 131           HE2      HIS 131 -40.310  12.685 -12.252
  993    H    HIS 132           HN       HIS 132 -39.635  17.068  -6.625
  994    HA   HIS 132           HA       HIS 132 -37.113  17.857  -5.325
  995   1HB   HIS 132          HB2       HIS 132 -37.654  19.294  -7.303
  996   2HB   HIS 132          HB1       HIS 132 -39.140  19.774  -6.490
  997    HD1  HIS 132           HD1      HIS 132 -35.478  20.369  -6.525
  998    HD2  HIS 132           HD2      HIS 132 -38.780  21.491  -4.265
  999    HE1  HIS 132           HE1      HIS 132 -34.701  22.299  -5.112
 1000    HE2  HIS 132           HE2      HIS 132 -36.743  23.025  -3.827
  Start of MODEL   15
    1   1H    MET   0           HT1      MET   0  34.711  -5.682  -1.329
    2   2H    MET   0           HT2      MET   0  34.117  -4.569  -2.454
    3   3H    MET   0           HT3      MET   0  33.042  -5.447  -1.485
    4    HA   MET   0           HA       MET   0  33.977  -4.370   0.495
    5   1HB   MET   0          HB2       MET   0  35.398  -2.694  -1.584
    6   2HB   MET   0          HB1       MET   0  35.342  -2.337   0.137
    7   1HG   MET   0          HG2       MET   0  36.572  -4.346   0.639
    8   2HG   MET   0          HG1       MET   0  36.538  -4.826  -1.057
    9   1HE   MET   0          HE1       MET   0  38.092  -3.647  -2.979
   10   2HE   MET   0          HE2       MET   0  38.734  -2.027  -2.708
   11   3HE   MET   0          HE3       MET   0  36.996  -2.310  -2.627
   12    H    ASN   1           HN       ASN   1  33.700  -2.093  -2.217
   13    HA   ASN   1           HA       ASN   1  31.286  -1.009  -0.967
   14   1HB   ASN   1          HB2       ASN   1  33.379   0.084  -2.775
   15   2HB   ASN   1          HB1       ASN   1  31.750   0.736  -2.942
   16   1HD2  ASN   1          HD21      ASN   1  30.836   1.874  -1.257
   17   2HD2  ASN   1          HD22      ASN   1  31.766   2.499   0.057
   18    H    CYS   2           HN       CYS   2  29.373  -0.676  -2.119
   19    HA   CYS   2           HA       CYS   2  29.014  -2.544  -4.341
   20   1HB   CYS   2          HB2       CYS   2  26.509  -1.657  -3.770
   21   2HB   CYS   2          HB1       CYS   2  27.259  -3.060  -3.015
   22    H    GLY   3           HN       GLY   3  27.246  -1.801  -5.947
   23   1HA   GLY   3          HA2       GLY   3  28.207   0.588  -7.214
   24   2HA   GLY   3          HA1       GLY   3  26.901  -0.441  -7.788
   25    HA   PRO   4           HA       PRO   4  25.551   3.879  -5.983
   26   1HB   PRO   4          HB2       PRO   4  24.245   3.688  -8.675
   27   2HB   PRO   4          HB1       PRO   4  24.811   5.118  -7.803
   28   1HG   PRO   4          HG2       PRO   4  26.270   4.104  -9.774
   29   2HG   PRO   4          HG1       PRO   4  27.048   4.690  -8.294
   30   1HD   PRO   4          HD2       PRO   4  26.578   1.894  -9.206
   31   2HD   PRO   4          HD1       PRO   4  27.911   2.560  -8.241
   32    HA   PRO   5           HA       PRO   5  22.015   1.763  -4.353
   33   1HB   PRO   5          HB2       PRO   5  20.937   4.508  -4.011
   34   2HB   PRO   5          HB1       PRO   5  21.139   3.219  -2.820
   35   1HG   PRO   5          HG2       PRO   5  22.781   5.317  -2.855
   36   2HG   PRO   5          HG1       PRO   5  23.383   3.688  -2.498
   37   1HD   PRO   5          HD2       PRO   5  23.611   5.291  -5.012
   38   2HD   PRO   5          HD1       PRO   5  24.792   4.200  -4.257
   39    HA   PRO   6           HA       PRO   6  19.414   1.869  -8.025
   40   1HB   PRO   6          HB2       PRO   6  17.816  -0.201  -7.230
   41   2HB   PRO   6          HB1       PRO   6  19.394  -0.429  -7.991
   42   1HG   PRO   6          HG2       PRO   6  18.634  -0.546  -5.104
   43   2HG   PRO   6          HG1       PRO   6  19.747  -1.585  -6.014
   44   1HD   PRO   6          HD2       PRO   6  20.605   0.401  -4.391
   45   2HD   PRO   6          HD1       PRO   6  21.480  -0.076  -5.860
   46    H    THR   7           HN       THR   7  16.979   1.614  -8.247
   47    HA   THR   7           HA       THR   7  15.735   3.515  -6.393
   48    HB   THR   7           HB       THR   7  14.818   2.620  -9.138
   49    HG1  THR   7           HG1      THR   7  15.334   5.193  -9.093
   50   1HG2  THR   7          HG21      THR   7  13.748   4.879  -7.448
   51   2HG2  THR   7          HG22      THR   7  12.997   3.288  -7.542
   52   3HG2  THR   7          HG23      THR   7  13.113   4.294  -8.985
   53    H    LEU   8           HN       LEU   8  14.171   2.889  -5.032
   54    HA   LEU   8           HA       LEU   8  13.107   0.172  -5.330
   55   1HB   LEU   8          HB2       LEU   8  13.207   1.920  -2.869
   56   2HB   LEU   8          HB1       LEU   8  12.670   0.252  -2.933
   57    HG   LEU   8           HG       LEU   8  15.052  -0.263  -3.783
   58   1HD1  LEU   8          HD11      LEU   8  15.690   2.307  -2.371
   59   2HD1  LEU   8          HD12      LEU   8  15.566   2.186  -4.126
   60   3HD1  LEU   8          HD13      LEU   8  16.781   1.244  -3.262
   61   1HD2  LEU   8          HD21      LEU   8  14.354  -1.048  -1.655
   62   2HD2  LEU   8          HD22      LEU   8  14.425   0.571  -0.961
   63   3HD2  LEU   8          HD23      LEU   8  15.913  -0.260  -1.416
   64    H    SER   9           HN       SER   9  11.174   0.186  -6.290
   65    HA   SER   9           HA       SER   9   9.483   2.467  -6.327
   66   1HB   SER   9          HB2       SER   9   7.859   1.008  -7.460
   67   2HB   SER   9          HB1       SER   9   9.473   0.784  -8.137
   68    HG   SER   9           HG       SER   9   8.555  -1.225  -7.778
   69    H    PHE  10           HN       PHE  10  10.146   0.410  -3.864
   70    HA   PHE  10           HA       PHE  10   7.453   0.630  -2.709
   71   1HB   PHE  10          HB2       PHE  10   8.556  -1.064  -1.011
   72   2HB   PHE  10          HB1       PHE  10   7.899  -1.616  -2.547
   73    HD1  PHE  10           HD1      PHE  10  10.874  -1.217  -0.534
   74    HD2  PHE  10           HD2      PHE  10   9.411  -2.156  -4.418
   75    HE1  PHE  10           HE1      PHE  10  13.048  -2.214  -1.108
   76    HE2  PHE  10           HE2      PHE  10  11.584  -3.154  -4.999
   77    HZ   PHE  10           HZ       PHE  10  13.405  -3.186  -3.343
   78    H    ALA  11           HN       ALA  11  10.407   2.105  -2.674
   79    HA   ALA  11           HA       ALA  11   9.760   3.569  -0.240
   80   1HB   ALA  11          HB1       ALA  11  12.315   2.008  -0.564
   81   2HB   ALA  11          HB2       ALA  11  11.054   1.745   0.641
   82   3HB   ALA  11          HB3       ALA  11  12.023   3.218   0.686
   83    H    ALA  12           HN       ALA  12  10.925   5.511  -0.035
   84    HA   ALA  12           HA       ALA  12  12.560   6.268  -2.365
   85   1HB   ALA  12          HB1       ALA  12  10.371   7.296  -2.578
   86   2HB   ALA  12          HB2       ALA  12  11.581   8.531  -2.232
   87   3HB   ALA  12          HB3       ALA  12  10.500   7.974  -0.955
   88    HA   PRO  13           HA       PRO  13  15.854   7.460   0.334
   89   1HB   PRO  13          HB2       PRO  13  15.812  10.079  -1.099
   90   2HB   PRO  13          HB1       PRO  13  17.169   8.992  -0.780
   91   1HG   PRO  13          HG2       PRO  13  16.070   9.103  -3.200
   92   2HG   PRO  13          HG1       PRO  13  16.591   7.554  -2.513
   93   1HD   PRO  13          HD2       PRO  13  13.840   8.659  -2.826
   94   2HD   PRO  13          HD1       PRO  13  14.404   6.980  -2.941
   95    H    MET  14           HN       MET  14  16.243   8.624   2.201
   96    HA   MET  14           HA       MET  14  14.634  10.929   2.867
   97   1HB   MET  14          HB2       MET  14  13.178   8.980   3.420
   98   2HB   MET  14          HB1       MET  14  14.410   8.433   4.550
   99   1HG   MET  14          HG2       MET  14  12.583   9.608   5.669
  100   2HG   MET  14          HG1       MET  14  14.130  10.427   5.881
  101   1HE   MET  14          HE1       MET  14  11.681  13.448   5.804
  102   2HE   MET  14          HE2       MET  14  12.838  12.507   6.747
  103   3HE   MET  14          HE3       MET  14  11.228  11.862   6.425
  104    H    ASP  15           HN       ASP  15  17.392   9.027   3.200
  105    HA   ASP  15           HA       ASP  15  18.688  11.003   4.809
  106   1HB   ASP  15          HB2       ASP  15  17.413   9.492   6.466
  107   2HB   ASP  15          HB1       ASP  15  18.609   8.266   6.058
  108    H    ILE  16           HN       ILE  16  20.026  11.039   2.977
  109    HA   ILE  16           HA       ILE  16  22.365   9.549   3.123
  110    HB   ILE  16           HB       ILE  16  21.258   7.658   2.286
  111   1HG1  ILE  16          HG12      ILE  16  22.516   9.011  -0.095
  112   2HG1  ILE  16          HG11      ILE  16  23.408   8.188   1.180
  113   1HG2  ILE  16          HG21      ILE  16  19.190   8.594   1.561
  114   2HG2  ILE  16          HG22      ILE  16  19.888   7.695   0.214
  115   3HG2  ILE  16          HG23      ILE  16  19.990   9.455   0.246
  116   1HD1  ILE  16          HD11      ILE  16  22.432   6.080   0.559
  117   2HD1  ILE  16          HD12      ILE  16  23.160   6.839  -0.856
  118   3HD1  ILE  16          HD13      ILE  16  21.411   6.873  -0.640
  119    H    THR  17           HN       THR  17  23.421  11.469   2.755
  120    HA   THR  17           HA       THR  17  22.780  13.326   0.763
  121    HB   THR  17           HB       THR  17  25.248  13.964   0.880
  122    HG1  THR  17           HG1      THR  17  26.548  12.713   1.990
  123   1HG2  THR  17          HG21      THR  17  23.464  15.025   2.238
  124   2HG2  THR  17          HG22      THR  17  25.023  14.988   3.061
  125   3HG2  THR  17          HG23      THR  17  23.763  13.838   3.507
  126    H    LEU  18           HN       LEU  18  22.770  13.048  -1.377
  127    HA   LEU  18           HA       LEU  18  23.956  10.741  -2.546
  128   1HB   LEU  18          HB2       LEU  18  22.277  13.005  -3.497
  129   2HB   LEU  18          HB1       LEU  18  23.176  12.097  -4.690
  130    HG   LEU  18           HG       LEU  18  20.924  11.235  -4.545
  131   1HD1  LEU  18          HD11      LEU  18  22.667   9.613  -4.994
  132   2HD1  LEU  18          HD12      LEU  18  21.395   8.884  -4.013
  133   3HD1  LEU  18          HD13      LEU  18  22.918   9.371  -3.265
  134   1HD2  LEU  18          HD21      LEU  18  21.501  10.731  -1.630
  135   2HD2  LEU  18          HD22      LEU  18  20.036  10.275  -2.500
  136   3HD2  LEU  18          HD23      LEU  18  20.428  11.979  -2.267
  137    H    THR  19           HN       THR  19  25.669  12.807  -1.324
  138    HA   THR  19           HA       THR  19  27.093  14.114  -3.441
  139    HB   THR  19           HB       THR  19  28.657  14.813  -1.691
  140    HG1  THR  19           HG1      THR  19  28.804  13.153  -0.275
  141   1HG2  THR  19          HG21      THR  19  27.054  16.026  -0.257
  142   2HG2  THR  19          HG22      THR  19  25.754  14.996  -0.866
  143   3HG2  THR  19          HG23      THR  19  26.604  16.089  -1.962
  144    H    GLU  20           HN       GLU  20  27.130  11.002  -2.078
  145    HA   GLU  20           HA       GLU  20  29.835  10.486  -3.114
  146   1HB   GLU  20          HB2       GLU  20  28.181   8.826  -1.202
  147   2HB   GLU  20          HB1       GLU  20  29.825   8.472  -1.717
  148   1HG   GLU  20          HG2       GLU  20  30.613  10.511  -0.647
  149   2HG   GLU  20          HG1       GLU  20  28.965  10.897  -0.154
  150    H    THR  21           HN       THR  21  29.956   7.990  -3.770
  151    HA   THR  21           HA       THR  21  27.661   7.394  -5.516
  152    HB   THR  21           HB       THR  21  29.767   6.425  -6.949
  153    HG1  THR  21           HG1      THR  21  31.270   7.555  -5.639
  154   1HG2  THR  21          HG21      THR  21  29.302   8.198  -8.524
  155   2HG2  THR  21          HG22      THR  21  28.588   9.188  -7.252
  156   3HG2  THR  21          HG23      THR  21  27.790   7.700  -7.763
  157    H    ARG  22           HN       ARG  22  30.080   6.314  -3.372
  158    HA   ARG  22           HA       ARG  22  29.302   3.516  -3.842
  159   1HB   ARG  22          HB2       ARG  22  31.942   4.387  -2.693
  160   2HB   ARG  22          HB1       ARG  22  31.468   2.775  -3.206
  161   1HG   ARG  22          HG2       ARG  22  31.315   3.625  -5.535
  162   2HG   ARG  22          HG1       ARG  22  31.963   5.163  -4.963
  163   1HD   ARG  22          HD2       ARG  22  33.329   2.478  -4.815
  164   2HD   ARG  22          HD1       ARG  22  33.731   3.794  -5.917
  165    HE   ARG  22           HE       ARG  22  33.914   4.800  -3.335
  166   1HH1  ARG  22          HH11      ARG  22  35.470   2.377  -5.298
  167   2HH1  ARG  22          HH12      ARG  22  36.995   2.514  -4.487
  168   1HH2  ARG  22          HH21      ARG  22  35.922   4.987  -2.261
  169   2HH2  ARG  22          HH22      ARG  22  37.251   3.996  -2.763
  170    H    PHE  23           HN       PHE  23  29.250   2.175  -1.902
  171    HA   PHE  23           HA       PHE  23  29.205   3.591   0.654
  172   1HB   PHE  23          HB2       PHE  23  26.825   2.019  -0.366
  173   2HB   PHE  23          HB1       PHE  23  26.960   2.804   1.206
  174    HD1  PHE  23           HD1      PHE  23  26.337   5.045   1.482
  175    HD2  PHE  23           HD2      PHE  23  26.882   3.473  -2.434
  176    HE1  PHE  23           HE1      PHE  23  25.421   7.119   0.521
  177    HE2  PHE  23           HE2      PHE  23  25.980   5.538  -3.398
  178    HZ   PHE  23           HZ       PHE  23  25.238   7.367  -1.921
  179    H    LYS  24           HN       LYS  24  30.596   2.413   1.790
  180    HA   LYS  24           HA       LYS  24  31.349  -0.207   1.308
  181   1HB   LYS  24          HB2       LYS  24  32.012  -0.084   3.861
  182   2HB   LYS  24          HB1       LYS  24  32.874   0.847   2.643
  183   1HG   LYS  24          HG2       LYS  24  32.525   2.426   4.274
  184   2HG   LYS  24          HG1       LYS  24  31.136   2.698   3.221
  185   1HD   LYS  24          HD2       LYS  24  29.745   1.329   4.691
  186   2HD   LYS  24          HD1       LYS  24  31.134   1.047   5.744
  187   1HE   LYS  24          HE2       LYS  24  29.677   2.802   6.627
  188   2HE   LYS  24          HE1       LYS  24  31.277   3.425   6.226
  189   1HZ   LYS  24          HZ1       LYS  24  29.527   4.917   5.483
  190   2HZ   LYS  24          HZ2       LYS  24  28.853   3.692   4.530
  191   3HZ   LYS  24          HZ3       LYS  24  30.387   4.301   4.162
  192    H    THR  25           HN       THR  25  31.203  -1.990   3.019
  193    HA   THR  25           HA       THR  25  28.523  -2.861   3.106
  194    HB   THR  25           HB       THR  25  29.511  -4.709   4.548
  195    HG1  THR  25           HG1      THR  25  31.381  -4.029   5.347
  196   1HG2  THR  25          HG21      THR  25  30.747  -4.232   1.837
  197   2HG2  THR  25          HG22      THR  25  29.142  -4.907   2.117
  198   3HG2  THR  25          HG23      THR  25  30.574  -5.793   2.643
  199    H    GLY  26           HN       GLY  26  30.149  -0.743   5.114
  200   1HA   GLY  26          HA2       GLY  26  28.583  -1.489   7.491
  201   2HA   GLY  26          HA1       GLY  26  29.963  -0.400   7.477
  202    H    THR  27           HN       THR  27  27.735  -0.037   4.954
  203    HA   THR  27           HA       THR  27  26.790   2.489   6.121
  204    HB   THR  27           HB       THR  27  27.899   2.303   3.765
  205    HG1  THR  27           HG1      THR  27  26.231   3.948   3.053
  206   1HG2  THR  27          HG21      THR  27  26.081   0.475   3.222
  207   2HG2  THR  27          HG22      THR  27  26.625   1.610   1.984
  208   3HG2  THR  27          HG23      THR  27  25.097   1.889   2.831
  209    H    THR  28           HN       THR  28  24.534   3.085   5.852
  210    HA   THR  28           HA       THR  28  22.645   1.048   5.102
  211    HB   THR  28           HB       THR  28  22.758   1.939   7.990
  212    HG1  THR  28           HG1      THR  28  23.147  -0.621   6.791
  213   1HG2  THR  28          HG21      THR  28  20.837   0.024   6.668
  214   2HG2  THR  28          HG22      THR  28  20.455   1.697   7.076
  215   3HG2  THR  28          HG23      THR  28  20.828   0.539   8.354
  216    H    LEU  29           HN       LEU  29  20.988   2.002   4.176
  217    HA   LEU  29           HA       LEU  29  20.692   4.873   4.448
  218   1HB   LEU  29          HB2       LEU  29  19.275   2.927   2.627
  219   2HB   LEU  29          HB1       LEU  29  19.118   4.672   2.564
  220    HG   LEU  29           HG       LEU  29  21.646   4.720   2.133
  221   1HD1  LEU  29          HD11      LEU  29  22.078   2.399   2.821
  222   2HD1  LEU  29          HD12      LEU  29  22.612   2.718   1.171
  223   3HD1  LEU  29          HD13      LEU  29  21.115   1.830   1.458
  224   1HD2  LEU  29          HD21      LEU  29  20.055   5.245   0.405
  225   2HD2  LEU  29          HD22      LEU  29  19.749   3.532   0.114
  226   3HD2  LEU  29          HD23      LEU  29  21.325   4.224  -0.269
  227    H    LYS  30           HN       LYS  30  18.210   5.548   4.183
  228    HA   LYS  30           HA       LYS  30  16.783   4.276   6.421
  229   1HB   LYS  30          HB2       LYS  30  17.501   6.654   6.753
  230   2HB   LYS  30          HB1       LYS  30  16.469   7.104   5.400
  231   1HG   LYS  30          HG2       LYS  30  15.318   7.569   7.446
  232   2HG   LYS  30          HG1       LYS  30  14.524   6.213   6.640
  233   1HD   LYS  30          HD2       LYS  30  14.674   5.670   8.956
  234   2HD   LYS  30          HD1       LYS  30  15.866   4.682   8.109
  235   1HE   LYS  30          HE2       LYS  30  16.878   5.543  10.101
  236   2HE   LYS  30          HE1       LYS  30  17.600   6.354   8.712
  237   1HZ   LYS  30          HZ1       LYS  30  15.546   7.450  10.549
  238   2HZ   LYS  30          HZ2       LYS  30  16.029   8.210   9.118
  239   3HZ   LYS  30          HZ3       LYS  30  17.144   7.978  10.370
  240    H    TYR  31           HN       TYR  31  15.697   6.521   3.921
  241    HA   TYR  31           HA       TYR  31  14.065   6.430   2.358
  242   1HB   TYR  31          HB2       TYR  31  14.758   3.521   2.583
  243   2HB   TYR  31          HB1       TYR  31  13.398   4.033   1.587
  244    HD1  TYR  31           HD1      TYR  31  13.916   4.083  -0.653
  245    HD2  TYR  31           HD2      TYR  31  16.881   5.289   2.149
  246    HE1  TYR  31           HE1      TYR  31  15.451   4.594  -2.505
  247    HE2  TYR  31           HE2      TYR  31  18.423   5.801   0.305
  248    HH   TYR  31           HH       TYR  31  18.771   5.198  -2.027
  249    H    THR  32           HN       THR  32  11.891   6.506   2.272
  250    HA   THR  32           HA       THR  32  10.433   5.409   4.584
  251    HB   THR  32           HB       THR  32   9.949   7.576   4.964
  252    HG1  THR  32           HG1      THR  32   8.340   7.749   2.684
  253   1HG2  THR  32          HG21      THR  32  11.607   8.480   3.499
  254   2HG2  THR  32          HG22      THR  32  10.104   9.356   3.201
  255   3HG2  THR  32          HG23      THR  32  10.634   8.106   2.076
  256    H    CYS  33           HN       CYS  33   7.983   5.193   4.050
  257    HA   CYS  33           HA       CYS  33   7.754   3.982   1.374
  258   1HB   CYS  33          HB2       CYS  33   6.915   2.976   4.052
  259   2HB   CYS  33          HB1       CYS  33   5.952   2.537   2.646
  260    H    LEU  34           HN       LEU  34   6.557   5.100   0.176
  261    HA   LEU  34           HA       LEU  34   4.893   7.142   0.505
  262   1HB   LEU  34          HB2       LEU  34   4.096   4.885  -1.312
  263   2HB   LEU  34          HB1       LEU  34   3.796   6.596  -1.538
  264    HG   LEU  34           HG       LEU  34   6.500   5.244  -1.661
  265   1HD1  LEU  34          HD11      LEU  34   4.609   6.254  -3.760
  266   2HD1  LEU  34          HD12      LEU  34   5.382   4.672  -3.631
  267   3HD1  LEU  34          HD13      LEU  34   6.339   6.089  -4.061
  268   1HD2  LEU  34          HD21      LEU  34   7.357   7.406  -2.346
  269   2HD2  LEU  34          HD22      LEU  34   6.612   7.523  -0.751
  270   3HD2  LEU  34          HD23      LEU  34   5.755   8.121  -2.171
  271    HA   PRO  35           HA       PRO  35   2.081   5.979   3.800
  272   1HB   PRO  35          HB2       PRO  35   0.596   8.054   2.243
  273   2HB   PRO  35          HB1       PRO  35   0.804   7.893   3.989
  274   1HG   PRO  35          HG2       PRO  35   2.289   9.578   2.409
  275   2HG   PRO  35          HG1       PRO  35   2.829   8.938   3.969
  276   1HD   PRO  35          HD2       PRO  35   3.876   8.387   1.345
  277   2HD   PRO  35          HD1       PRO  35   4.458   7.785   2.907
  278    H    GLY  36           HN       GLY  36   0.752   4.314   3.822
  279   1HA   GLY  36          HA2       GLY  36  -1.525   3.586   3.239
  280   2HA   GLY  36          HA1       GLY  36  -1.140   4.004   1.579
  281    H    TYR  37           HN       TYR  37   1.417   2.831   1.431
  282    HA   TYR  37           HA       TYR  37   1.446   0.636   0.231
  283   1HB   TYR  37          HB2       TYR  37   3.123   1.345   2.539
  284   2HB   TYR  37          HB1       TYR  37   3.226  -0.330   1.991
  285    HD1  TYR  37           HD1      TYR  37   4.228   3.049   1.366
  286    HD2  TYR  37           HD2      TYR  37   3.705  -0.744  -0.476
  287    HE1  TYR  37           HE1      TYR  37   5.690   3.749  -0.480
  288    HE2  TYR  37           HE2      TYR  37   5.165  -0.055  -2.331
  289    HH   TYR  37           HH       TYR  37   7.122   2.690  -2.202
  290    H    VAL  38           HN       VAL  38   1.468  -1.575   0.370
  291    HA   VAL  38           HA       VAL  38  -0.628  -2.529   2.196
  292    HB   VAL  38           HB       VAL  38  -0.063  -3.500  -0.604
  293   1HG1  VAL  38          HG11      VAL  38  -0.923  -5.316   0.592
  294   2HG1  VAL  38          HG12      VAL  38  -2.317  -4.613  -0.230
  295   3HG1  VAL  38          HG13      VAL  38  -2.053  -4.300   1.486
  296   1HG2  VAL  38          HG21      VAL  38  -2.242  -1.740   0.504
  297   2HG2  VAL  38          HG22      VAL  38  -2.292  -2.490  -1.091
  298   3HG2  VAL  38          HG23      VAL  38  -1.034  -1.315  -0.709
  299    H    ARG  39           HN       ARG  39  -0.553  -4.780   2.736
  300    HA   ARG  39           HA       ARG  39   1.219  -5.824   4.203
  301   1HB   ARG  39          HB2       ARG  39  -0.644  -7.153   3.441
  302   2HB   ARG  39          HB1       ARG  39   0.140  -7.413   1.889
  303   1HG   ARG  39          HG2       ARG  39   1.880  -8.711   2.931
  304   2HG   ARG  39          HG1       ARG  39   1.229  -8.357   4.533
  305   1HD   ARG  39          HD2       ARG  39  -0.803  -9.564   4.006
  306   2HD   ARG  39          HD1       ARG  39  -0.233  -9.854   2.363
  307    HE   ARG  39           HE       ARG  39   1.622 -10.869   4.238
  308   1HH1  ARG  39          HH11      ARG  39  -1.519 -11.521   2.875
  309   2HH1  ARG  39          HH12      ARG  39  -1.410 -13.233   3.113
  310   1HH2  ARG  39          HH21      ARG  39   1.773 -13.125   4.555
  311   2HH2  ARG  39          HH22      ARG  39   0.460 -14.144   4.068
  312    H    SER  40           HN       SER  40   3.313  -5.798   4.356
  313    HA   SER  40           HA       SER  40   5.087  -7.236   2.830
  314   1HB   SER  40          HB2       SER  40   4.609  -5.723   0.974
  315   2HB   SER  40          HB1       SER  40   5.007  -4.331   1.981
  316    HG   SER  40           HG       SER  40   7.095  -5.795   2.177
  317    H    HIS  41           HN       HIS  41   4.363  -4.690   4.992
  318    HA   HIS  41           HA       HIS  41   6.749  -3.675   5.826
  319   1HB   HIS  41          HB2       HIS  41   5.612  -3.934   8.234
  320   2HB   HIS  41          HB1       HIS  41   5.085  -2.746   7.050
  321    HD1  HIS  41           HD1      HIS  41   4.003  -5.818   8.824
  322    HD2  HIS  41           HD2      HIS  41   2.610  -3.355   5.781
  323    HE1  HIS  41           HE1      HIS  41   1.592  -6.451   8.498
  324    HE2  HIS  41           HE2      HIS  41   0.769  -4.950   6.649
  325    H    SER  42           HN       SER  42   8.598  -4.497   6.451
  326    HA   SER  42           HA       SER  42   8.754  -6.629   8.357
  327   1HB   SER  42          HB2       SER  42   9.699  -7.117   5.526
  328   2HB   SER  42          HB1       SER  42  10.101  -8.143   6.901
  329    HG   SER  42           HG       SER  42   7.937  -8.658   7.118
  330    H    THR  43           HN       THR  43  10.074  -4.067   6.565
  331    HA   THR  43           HA       THR  43  12.263  -3.758   8.380
  332    HB   THR  43           HB       THR  43  13.332  -3.938   5.629
  333    HG1  THR  43           HG1      THR  43  12.079  -5.877   5.793
  334   1HG2  THR  43          HG21      THR  43  14.298  -4.657   8.391
  335   2HG2  THR  43          HG22      THR  43  14.845  -3.338   7.356
  336   3HG2  THR  43          HG23      THR  43  15.222  -5.008   6.931
  337    H    GLN  44           HN       GLN  44  13.919  -2.203   6.599
  338    HA   GLN  44           HA       GLN  44  12.714  -0.304   5.035
  339   1HB   GLN  44          HB2       GLN  44  11.369   0.052   7.203
  340   2HB   GLN  44          HB1       GLN  44  12.831   0.786   7.840
  341   1HG   GLN  44          HG2       GLN  44  12.759   2.537   6.264
  342   2HG   GLN  44          HG1       GLN  44  11.532   1.715   5.300
  343   1HE2  GLN  44          HE21      GLN  44  11.545   4.381   6.550
  344   2HE2  GLN  44          HE22      GLN  44  10.136   4.430   7.549
  345    H    THR  45           HN       THR  45  15.260  -1.554   5.322
  346    HA   THR  45           HA       THR  45  16.941   0.816   5.318
  347    HB   THR  45           HB       THR  45  18.662  -0.237   6.782
  348    HG1  THR  45           HG1      THR  45  17.523  -1.878   8.264
  349   1HG2  THR  45          HG21      THR  45  15.972   0.273   8.054
  350   2HG2  THR  45          HG22      THR  45  17.192   1.491   7.667
  351   3HG2  THR  45          HG23      THR  45  17.519   0.272   8.903
  352    H    LEU  46           HN       LEU  46  18.716   0.674   4.051
  353    HA   LEU  46           HA       LEU  46  19.098  -1.839   2.553
  354   1HB   LEU  46          HB2       LEU  46  19.097   1.016   1.720
  355   2HB   LEU  46          HB1       LEU  46  20.268  -0.033   0.946
  356    HG   LEU  46           HG       LEU  46  18.498  -1.468   0.109
  357   1HD1  LEU  46          HD11      LEU  46  16.615   0.387   1.555
  358   2HD1  LEU  46          HD12      LEU  46  16.943  -1.299   1.958
  359   3HD1  LEU  46          HD13      LEU  46  16.139  -0.895   0.441
  360   1HD2  LEU  46          HD21      LEU  46  17.928   1.452  -0.406
  361   2HD2  LEU  46          HD22      LEU  46  17.390   0.107  -1.412
  362   3HD2  LEU  46          HD23      LEU  46  19.112   0.454  -1.253
  363    H    THR  47           HN       THR  47  20.956  -2.854   3.018
  364    HA   THR  47           HA       THR  47  23.245  -1.227   3.938
  365    HB   THR  47           HB       THR  47  22.912  -4.117   4.697
  366    HG1  THR  47           HG1      THR  47  21.991  -3.236   6.701
  367   1HG2  THR  47          HG21      THR  47  25.088  -3.038   5.043
  368   2HG2  THR  47          HG22      THR  47  24.327  -3.464   6.576
  369   3HG2  THR  47          HG23      THR  47  24.314  -1.790   6.019
  370    H    CYS  48           HN       CYS  48  25.372  -2.007   3.349
  371    HA   CYS  48           HA       CYS  48  25.310  -3.352   0.777
  372   1HB   CYS  48          HB2       CYS  48  26.691  -1.214   1.303
  373   2HB   CYS  48          HB1       CYS  48  27.795  -2.302   2.128
  374    H    ASN  49           HN       ASN  49  25.522  -5.464   0.689
  375    HA   ASN  49           HA       ASN  49  26.836  -6.883   2.871
  376   1HB   ASN  49          HB2       ASN  49  25.782  -8.853   2.062
  377   2HB   ASN  49          HB1       ASN  49  24.580  -7.579   1.887
  378   1HD2  ASN  49          HD21      ASN  49  24.599 -10.034   0.498
  379   2HD2  ASN  49          HD22      ASN  49  24.780  -9.690  -1.186
  380    H    SER  50           HN       SER  50  28.084  -8.966   1.953
  381    HA   SER  50           HA       SER  50  30.254  -7.878   0.351
  382   1HB   SER  50          HB2       SER  50  30.803  -9.220   2.339
  383   2HB   SER  50          HB1       SER  50  29.933 -10.597   1.662
  384    HG   SER  50           HG       SER  50  32.330 -10.461   1.374
  385    H    ASP  51           HN       ASP  51  28.326  -7.779  -1.281
  386    HA   ASP  51           HA       ASP  51  28.729  -9.897  -3.273
  387   1HB   ASP  51          HB2       ASP  51  26.675 -10.407  -1.823
  388   2HB   ASP  51          HB1       ASP  51  25.966  -8.965  -2.549
  389    H    GLY  52           HN       GLY  52  28.828  -6.763  -2.491
  390   1HA   GLY  52          HA2       GLY  52  28.733  -4.792  -3.659
  391   2HA   GLY  52          HA1       GLY  52  28.931  -5.784  -5.097
  392    H    GLU  53           HN       GLU  53  26.302  -6.549  -3.185
  393    HA   GLU  53           HA       GLU  53  24.460  -4.898  -4.794
  394   1HB   GLU  53          HB2       GLU  53  23.002  -6.689  -5.109
  395   2HB   GLU  53          HB1       GLU  53  24.585  -7.426  -5.314
  396   1HG   GLU  53          HG2       GLU  53  24.476  -8.211  -2.976
  397   2HG   GLU  53          HG1       GLU  53  22.850  -7.540  -2.858
  398    H    TRP  54           HN       TRP  54  22.448  -4.340  -3.800
  399    HA   TRP  54           HA       TRP  54  22.718  -3.937  -0.962
  400   1HB   TRP  54          HB2       TRP  54  20.664  -2.992  -2.974
  401   2HB   TRP  54          HB1       TRP  54  20.676  -2.533  -1.276
  402    HD1  TRP  54           HD1      TRP  54  22.332  -1.746  -4.581
  403    HE1  TRP  54           HE1      TRP  54  23.970   0.217  -4.265
  404    HE3  TRP  54           HE3      TRP  54  22.289  -1.489   0.505
  405    HZ2  TRP  54           HZ2      TRP  54  25.104   1.682  -2.122
  406    HZ3  TRP  54           HZ3      TRP  54  23.672   0.214   1.623
  407    HH2  TRP  54           HH2      TRP  54  25.050   1.764   0.333
  408    H    VAL  55           HN       VAL  55  22.053  -5.405   0.377
  409    HA   VAL  55           HA       VAL  55  20.029  -7.378  -0.430
  410    HB   VAL  55           HB       VAL  55  22.408  -7.417   1.370
  411   1HG1  VAL  55          HG11      VAL  55  21.557  -9.434   2.506
  412   2HG1  VAL  55          HG12      VAL  55  19.972  -9.135   1.790
  413   3HG1  VAL  55          HG13      VAL  55  20.662  -7.972   2.921
  414   1HG2  VAL  55          HG21      VAL  55  22.799  -9.551   0.349
  415   2HG2  VAL  55          HG22      VAL  55  22.419  -8.380  -0.915
  416   3HG2  VAL  55          HG23      VAL  55  21.195  -9.536  -0.390
  417    H    TYR  56           HN       TYR  56  18.272  -7.797   0.904
  418    HA   TYR  56           HA       TYR  56  17.887  -6.972   3.450
  419   1HB   TYR  56          HB2       TYR  56  16.477  -4.889   3.215
  420   2HB   TYR  56          HB1       TYR  56  18.180  -4.661   2.833
  421    HD1  TYR  56           HD1      TYR  56  14.810  -5.034   1.358
  422    HD2  TYR  56           HD2      TYR  56  18.872  -3.980   0.660
  423    HE1  TYR  56           HE1      TYR  56  14.190  -4.122  -0.839
  424    HE2  TYR  56           HE2      TYR  56  18.263  -3.065  -1.539
  425    HH   TYR  56           HH       TYR  56  16.528  -3.244  -3.192
  426    H    ASN  57           HN       ASN  57  15.434  -6.670   4.038
  427    HA   ASN  57           HA       ASN  57  13.978  -8.663   2.477
  428   1HB   ASN  57          HB2       ASN  57  13.501  -7.461   5.207
  429   2HB   ASN  57          HB1       ASN  57  12.360  -8.549   4.426
  430   1HD2  ASN  57          HD21      ASN  57  15.827  -8.848   4.113
  431   2HD2  ASN  57          HD22      ASN  57  15.974 -10.313   5.015
  432    H    THR  58           HN       THR  58  11.542  -8.279   2.305
  433    HA   THR  58           HA       THR  58  11.156  -5.693   1.031
  434    HB   THR  58           HB       THR  58   9.152  -7.951   1.197
  435    HG1  THR  58           HG1      THR  58  11.506  -8.073   0.049
  436   1HG2  THR  58          HG21      THR  58   9.518  -5.780  -0.871
  437   2HG2  THR  58          HG22      THR  58   8.364  -5.703   0.459
  438   3HG2  THR  58          HG23      THR  58   8.201  -6.949  -0.777
  439    H    PHE  59           HN       PHE  59   9.984  -4.064   1.905
  440    HA   PHE  59           HA       PHE  59   8.524  -4.684   4.379
  441   1HB   PHE  59          HB2       PHE  59   9.088  -2.180   4.898
  442   2HB   PHE  59          HB1       PHE  59  10.282  -3.441   5.186
  443    HD1  PHE  59           HD1      PHE  59  12.203  -3.700   3.702
  444    HD2  PHE  59           HD2      PHE  59   9.411  -0.529   3.195
  445    HE1  PHE  59           HE1      PHE  59  13.813  -2.517   2.267
  446    HE2  PHE  59           HE2      PHE  59  11.016   0.659   1.757
  447    HZ   PHE  59           HZ       PHE  59  13.221  -0.336   1.291
  448    H    CYS  60           HN       CYS  60   8.305  -3.278   1.261
  449    HA   CYS  60           HA       CYS  60   5.536  -2.584   1.793
  450   1HB   CYS  60          HB2       CYS  60   7.416  -0.521   0.628
  451   2HB   CYS  60          HB1       CYS  60   5.701  -0.315   0.971
  452    H    ILE  61           HN       ILE  61   4.226  -2.458  -0.106
  453    HA   ILE  61           HA       ILE  61   5.553  -3.107  -2.629
  454    HB   ILE  61           HB       ILE  61   4.051  -4.924  -3.151
  455   1HG1  ILE  61          HG12      ILE  61   2.960  -4.593  -0.346
  456   2HG1  ILE  61          HG11      ILE  61   2.109  -4.131  -1.817
  457   1HG2  ILE  61          HG21      ILE  61   4.889  -6.586  -1.584
  458   2HG2  ILE  61          HG22      ILE  61   5.342  -5.305  -0.462
  459   3HG2  ILE  61          HG23      ILE  61   6.152  -5.435  -2.023
  460   1HD1  ILE  61          HD11      ILE  61   2.962  -6.923  -1.094
  461   2HD1  ILE  61          HD12      ILE  61   2.071  -6.447  -2.539
  462   3HD1  ILE  61          HD13      ILE  61   1.331  -6.267  -0.949
  463    H    TYR  62           HN       TYR  62   2.472  -2.352  -1.067
  464    HA   TYR  62           HA       TYR  62   0.724  -0.951  -1.736
  465   1HB   TYR  62          HB2       TYR  62   3.012   0.245  -2.794
  466   2HB   TYR  62          HB1       TYR  62   1.885   0.140  -4.146
  467    HD1  TYR  62           HD1      TYR  62   3.013   2.338  -1.880
  468    HD2  TYR  62           HD2      TYR  62  -0.698   0.635  -3.072
  469    HE1  TYR  62           HE1      TYR  62   1.835   4.296  -0.983
  470    HE2  TYR  62           HE2      TYR  62  -1.890   2.593  -2.178
  471    HH   TYR  62           HH       TYR  62  -0.101   5.328  -0.782
  472    H    LYS  63           HN       LYS  63  -0.997  -1.678  -2.498
  473    HA   LYS  63           HA       LYS  63  -1.434  -2.406  -5.181
  474   1HB   LYS  63          HB2       LYS  63  -2.194  -4.818  -4.482
  475   2HB   LYS  63          HB1       LYS  63  -0.519  -4.516  -4.922
  476   1HG   LYS  63          HG2       LYS  63   0.175  -5.227  -2.949
  477   2HG   LYS  63          HG1       LYS  63  -0.866  -4.073  -2.117
  478   1HD   LYS  63          HD2       LYS  63  -2.572  -5.591  -1.852
  479   2HD   LYS  63          HD1       LYS  63  -2.072  -6.550  -3.243
  480   1HE   LYS  63          HE2       LYS  63  -0.179  -7.398  -2.040
  481   2HE   LYS  63          HE1       LYS  63  -0.564  -6.380  -0.656
  482   1HZ   LYS  63          HZ1       LYS  63  -2.620  -7.597  -0.368
  483   2HZ   LYS  63          HZ2       LYS  63  -1.301  -8.653  -0.320
  484   3HZ   LYS  63          HZ3       LYS  63  -2.267  -8.570  -1.706
  485    H    ARG  64           HN       ARG  64  -3.398  -1.497  -5.401
  486    HA   ARG  64           HA       ARG  64  -5.181  -1.409  -3.094
  487   1HB   ARG  64          HB2       ARG  64  -6.516   0.099  -4.754
  488   2HB   ARG  64          HB1       ARG  64  -5.073   0.721  -3.969
  489   1HG   ARG  64          HG2       ARG  64  -4.804  -0.579  -6.632
  490   2HG   ARG  64          HG1       ARG  64  -5.467   1.054  -6.532
  491   1HD   ARG  64          HD2       ARG  64  -2.823   0.167  -5.384
  492   2HD   ARG  64          HD1       ARG  64  -3.035   1.054  -6.894
  493    HE   ARG  64           HE       ARG  64  -4.248   2.423  -4.723
  494   1HH1  ARG  64          HH11      ARG  64  -1.160   1.739  -6.190
  495   2HH1  ARG  64          HH12      ARG  64  -0.409   3.176  -5.581
  496   1HH2  ARG  64          HH21      ARG  64  -3.264   4.315  -3.917
  497   2HH2  ARG  64          HH22      ARG  64  -1.604   4.639  -4.289
  498    H    CYS  65           HN       CYS  65  -7.645  -1.319  -4.024
  499    HA   CYS  65           HA       CYS  65  -8.019  -3.923  -5.348
  500   1HB   CYS  65          HB2       CYS  65 -10.126  -2.571  -3.685
  501   2HB   CYS  65          HB1       CYS  65  -9.948  -4.281  -4.062
  502    H    ARG  66           HN       ARG  66 -10.432  -3.932  -6.305
  503    HA   ARG  66           HA       ARG  66 -10.413  -1.727  -8.175
  504   1HB   ARG  66          HB2       ARG  66 -10.689  -4.030  -9.024
  505   2HB   ARG  66          HB1       ARG  66 -12.181  -4.191  -8.107
  506   1HG   ARG  66          HG2       ARG  66 -12.721  -3.760 -10.392
  507   2HG   ARG  66          HG1       ARG  66 -13.128  -2.326  -9.444
  508   1HD   ARG  66          HD2       ARG  66 -12.024  -1.698 -11.517
  509   2HD   ARG  66          HD1       ARG  66 -11.028  -1.284 -10.123
  510    HE   ARG  66           HE       ARG  66 -10.220  -3.795 -10.972
  511   1HH1  ARG  66          HH11      ARG  66 -10.309  -0.549 -12.228
  512   2HH1  ARG  66          HH12      ARG  66  -8.901  -0.753 -13.216
  513   1HH2  ARG  66          HH21      ARG  66  -8.363  -4.075 -12.266
  514   2HH2  ARG  66          HH22      ARG  66  -7.794  -2.758 -13.237
  515    H    HIS  67           HN       HIS  67 -12.019  -0.224  -8.397
  516    HA   HIS  67           HA       HIS  67 -13.393   0.566  -6.096
  517   1HB   HIS  67          HB2       HIS  67 -13.851   1.328  -8.987
  518   2HB   HIS  67          HB1       HIS  67 -14.503   2.183  -7.599
  519    HD1  HIS  67           HD1      HIS  67 -11.904   2.510  -9.921
  520    HD2  HIS  67           HD2      HIS  67 -12.114   2.925  -5.792
  521    HE1  HIS  67           HE1      HIS  67  -9.920   3.919  -9.285
  522    HE2  HIS  67           HE2      HIS  67 -10.093   4.197  -6.787
  523    HA   PRO  68           HA       PRO  68 -16.883  -2.237  -6.224
  524   1HB   PRO  68          HB2       PRO  68 -18.506  -0.810  -4.550
  525   2HB   PRO  68          HB1       PRO  68 -17.200  -1.853  -3.986
  526   1HG   PRO  68          HG2       PRO  68 -17.216   1.118  -4.365
  527   2HG   PRO  68          HG1       PRO  68 -16.550   0.164  -3.026
  528   1HD   PRO  68          HD2       PRO  68 -14.971   1.160  -4.954
  529   2HD   PRO  68          HD1       PRO  68 -14.653  -0.430  -4.228
  530    H    GLY  69           HN       GLY  69 -17.023   1.151  -7.048
  531   1HA   GLY  69          HA2       GLY  69 -18.118   1.797  -9.083
  532   2HA   GLY  69          HA1       GLY  69 -19.265   0.492  -8.835
  533    H    GLU  70           HN       GLU  70 -20.758   2.211  -9.359
  534    HA   GLU  70           HA       GLU  70 -21.195   4.292  -7.390
  535   1HB   GLU  70          HB2       GLU  70 -21.525   4.764  -9.801
  536   2HB   GLU  70          HB1       GLU  70 -22.823   3.578  -9.834
  537   1HG   GLU  70          HG2       GLU  70 -23.713   5.823  -9.709
  538   2HG   GLU  70          HG1       GLU  70 -24.095   4.921  -8.243
  539    H    LEU  71           HN       LEU  71 -22.695   4.376  -5.874
  540    HA   LEU  71           HA       LEU  71 -24.237   1.941  -5.338
  541   1HB   LEU  71          HB2       LEU  71 -22.768   3.426  -3.657
  542   2HB   LEU  71          HB1       LEU  71 -24.286   4.285  -3.497
  543    HG   LEU  71           HG       LEU  71 -23.779   1.380  -2.850
  544   1HD1  LEU  71          HD11      LEU  71 -24.119   1.985  -0.593
  545   2HD1  LEU  71          HD12      LEU  71 -24.671   3.600  -1.037
  546   3HD1  LEU  71          HD13      LEU  71 -22.979   3.155  -1.259
  547   1HD2  LEU  71          HD21      LEU  71 -25.992   1.534  -3.782
  548   2HD2  LEU  71          HD22      LEU  71 -26.352   2.947  -2.789
  549   3HD2  LEU  71          HD23      LEU  71 -26.121   1.372  -2.028
  550    H    ARG  72           HN       ARG  72 -26.095   2.016  -6.600
  551    HA   ARG  72           HA       ARG  72 -27.518   4.435  -7.086
  552   1HB   ARG  72          HB2       ARG  72 -27.772   2.459  -8.569
  553   2HB   ARG  72          HB1       ARG  72 -28.501   1.561  -7.242
  554   1HG   ARG  72          HG2       ARG  72 -30.414   2.999  -7.237
  555   2HG   ARG  72          HG1       ARG  72 -29.667   4.069  -8.428
  556   1HD   ARG  72          HD2       ARG  72 -31.318   2.597  -9.466
  557   2HD   ARG  72          HD1       ARG  72 -29.694   2.274 -10.076
  558    HE   ARG  72           HE       ARG  72 -30.193   0.547  -7.932
  559   1HH1  ARG  72          HH11      ARG  72 -31.293   1.121 -11.189
  560   2HH1  ARG  72          HH12      ARG  72 -31.723  -0.532 -11.472
  561   1HH2  ARG  72          HH21      ARG  72 -30.755  -1.632  -8.297
  562   2HH2  ARG  72          HH22      ARG  72 -31.417  -2.097  -9.829
  563    H    ASN  73           HN       ASN  73 -28.819   5.537  -5.962
  564    HA   ASN  73           HA       ASN  73 -29.961   6.325  -4.158
  565   1HB   ASN  73          HB2       ASN  73 -30.746   3.423  -3.720
  566   2HB   ASN  73          HB1       ASN  73 -31.583   4.841  -3.097
  567   1HD2  ASN  73          HD21      ASN  73 -32.668   2.732  -4.696
  568   2HD2  ASN  73          HD22      ASN  73 -33.245   3.450  -6.158
  569    H    GLY  74           HN       GLY  74 -27.278   5.944  -3.839
  570   1HA   GLY  74          HA2       GLY  74 -27.050   5.692  -1.046
  571   2HA   GLY  74          HA1       GLY  74 -26.426   4.245  -1.819
  572    H    GLN  75           HN       GLN  75 -24.584   5.371  -0.450
  573    HA   GLN  75           HA       GLN  75 -22.937   6.795  -2.410
  574   1HB   GLN  75          HB2       GLN  75 -23.168   7.549   0.508
  575   2HB   GLN  75          HB1       GLN  75 -22.070   8.278  -0.657
  576   1HG   GLN  75          HG2       GLN  75 -23.950   9.128  -1.933
  577   2HG   GLN  75          HG1       GLN  75 -25.074   8.352  -0.817
  578   1HE2  GLN  75          HE21      GLN  75 -24.790  11.163  -1.520
  579   2HE2  GLN  75          HE22      GLN  75 -24.492  12.001  -0.040
  580    H    VAL  76           HN       VAL  76 -20.879   6.159  -2.516
  581    HA   VAL  76           HA       VAL  76 -20.071   4.035  -0.658
  582    HB   VAL  76           HB       VAL  76 -19.831   2.884  -2.543
  583   1HG1  VAL  76          HG11      VAL  76 -20.946   4.569  -3.870
  584   2HG1  VAL  76          HG12      VAL  76 -19.632   3.809  -4.768
  585   3HG1  VAL  76          HG13      VAL  76 -19.418   5.424  -4.090
  586   1HG2  VAL  76          HG21      VAL  76 -17.359   4.564  -2.901
  587   2HG2  VAL  76          HG22      VAL  76 -17.622   2.924  -3.496
  588   3HG2  VAL  76          HG23      VAL  76 -17.517   3.227  -1.761
  589    H    GLU  77           HN       GLU  77 -18.839   4.911   0.913
  590    HA   GLU  77           HA       GLU  77 -17.409   7.326   0.660
  591   1HB   GLU  77          HB2       GLU  77 -18.136   6.669   2.827
  592   2HB   GLU  77          HB1       GLU  77 -17.312   5.121   2.710
  593   1HG   GLU  77          HG2       GLU  77 -15.181   6.141   2.926
  594   2HG   GLU  77          HG1       GLU  77 -15.861   7.754   2.735
  595    H    ILE  78           HN       ILE  78 -15.947   7.328  -0.995
  596    HA   ILE  78           HA       ILE  78 -13.698   5.435  -0.772
  597    HB   ILE  78           HB       ILE  78 -14.849   6.834  -3.176
  598   1HG1  ILE  78          HG12      ILE  78 -15.761   4.634  -2.502
  599   2HG1  ILE  78          HG11      ILE  78 -14.990   4.591  -4.082
  600   1HG2  ILE  78          HG21      ILE  78 -12.941   6.001  -4.481
  601   2HG2  ILE  78          HG22      ILE  78 -12.165   5.470  -2.988
  602   3HG2  ILE  78          HG23      ILE  78 -12.452   7.188  -3.272
  603   1HD1  ILE  78          HD11      ILE  78 -12.986   3.613  -3.031
  604   2HD1  ILE  78          HD12      ILE  78 -14.427   2.611  -2.855
  605   3HD1  ILE  78          HD13      ILE  78 -13.851   3.574  -1.494
  606    H    LYS  79           HN       LYS  79 -11.726   6.232  -0.355
  607    HA   LYS  79           HA       LYS  79 -11.033   8.951  -0.981
  608   1HB   LYS  79          HB2       LYS  79 -10.548   9.630   1.325
  609   2HB   LYS  79          HB1       LYS  79 -12.258   9.308   1.096
  610   1HG   LYS  79          HG2       LYS  79 -10.285   7.432   2.389
  611   2HG   LYS  79          HG1       LYS  79 -11.424   8.471   3.239
  612   1HD   LYS  79          HD2       LYS  79 -13.271   7.274   2.086
  613   2HD   LYS  79          HD1       LYS  79 -12.065   6.176   1.396
  614   1HE   LYS  79          HE2       LYS  79 -12.889   5.084   3.297
  615   2HE   LYS  79          HE1       LYS  79 -11.323   5.723   3.765
  616   1HZ   LYS  79          HZ1       LYS  79 -13.887   7.091   4.346
  617   2HZ   LYS  79          HZ2       LYS  79 -12.354   7.493   4.940
  618   3HZ   LYS  79          HZ3       LYS  79 -13.105   6.060   5.436
  619    H    THR  80           HN       THR  80 -10.140   6.113   0.958
  620    HA   THR  80           HA       THR  80  -7.355   6.677   0.818
  621    HB   THR  80           HB       THR  80  -7.036   4.549   1.911
  622    HG1  THR  80           HG1      THR  80  -9.069   3.741   0.553
  623   1HG2  THR  80          HG21      THR  80  -7.709   6.241   3.413
  624   2HG2  THR  80          HG22      THR  80  -8.718   4.849   3.808
  625   3HG2  THR  80          HG23      THR  80  -9.383   6.181   2.858
  626    H    ASP  81           HN       ASP  81  -9.178   5.987  -1.697
  627    HA   ASP  81           HA       ASP  81  -8.782   5.076  -3.772
  628   1HB   ASP  81          HB2       ASP  81  -5.989   5.030  -2.658
  629   2HB   ASP  81          HB1       ASP  81  -6.372   4.650  -4.334
  630    H    LEU  82           HN       LEU  82  -8.802   3.363  -1.085
  631    HA   LEU  82           HA       LEU  82  -9.080   1.163  -0.580
  632   1HB   LEU  82          HB2       LEU  82  -8.859   0.829  -3.571
  633   2HB   LEU  82          HB1       LEU  82  -9.260  -0.473  -2.472
  634    HG   LEU  82           HG       LEU  82 -11.303   0.186  -3.401
  635   1HD1  LEU  82          HD11      LEU  82 -12.521   1.332  -1.541
  636   2HD1  LEU  82          HD12      LEU  82 -10.964   1.528  -0.735
  637   3HD1  LEU  82          HD13      LEU  82 -11.589  -0.087  -1.069
  638   1HD2  LEU  82          HD21      LEU  82 -10.551   3.053  -2.874
  639   2HD2  LEU  82          HD22      LEU  82 -12.059   2.488  -3.593
  640   3HD2  LEU  82          HD23      LEU  82 -10.534   2.248  -4.444
  641    H    SER  83           HN       SER  83  -6.667   2.043   0.002
  642    HA   SER  83           HA       SER  83  -4.598   0.606  -1.409
  643   1HB   SER  83          HB2       SER  83  -3.069   1.692   0.191
  644   2HB   SER  83          HB1       SER  83  -4.140   2.858  -0.583
  645    HG   SER  83           HG       SER  83  -4.630   1.700   1.958
  646    H    PHE  84           HN       PHE  84  -6.690  -0.925   0.060
  647    HA   PHE  84           HA       PHE  84  -6.874  -2.798   1.327
  648   1HB   PHE  84          HB2       PHE  84  -5.117  -3.622  -0.138
  649   2HB   PHE  84          HB1       PHE  84  -3.885  -2.917   0.900
  650    HD1  PHE  84           HD1      PHE  84  -6.229  -5.658   0.449
  651    HD2  PHE  84           HD2      PHE  84  -3.381  -3.904   3.080
  652    HE1  PHE  84           HE1      PHE  84  -6.145  -7.745   1.748
  653    HE2  PHE  84           HE2      PHE  84  -3.293  -5.990   4.381
  654    HZ   PHE  84           HZ       PHE  84  -4.677  -7.915   3.715
  655    H    GLY  85           HN       GLY  85  -7.026  -3.365   3.439
  656   1HA   GLY  85          HA2       GLY  85  -6.353  -3.493   5.692
  657   2HA   GLY  85          HA1       GLY  85  -5.126  -2.279   5.373
  658    H    SER  86           HN       SER  86  -8.655  -2.310   4.897
  659    HA   SER  86           HA       SER  86  -9.271  -0.584   7.026
  660   1HB   SER  86          HB2       SER  86  -8.696   0.710   4.384
  661   2HB   SER  86          HB1       SER  86  -9.882   1.412   5.482
  662    HG   SER  86           HG       SER  86  -8.331   2.006   6.798
  663    H    GLN  87           HN       GLN  87 -11.029   0.800   4.806
  664    HA   GLN  87           HA       GLN  87 -12.774  -1.022   3.703
  665   1HB   GLN  87          HB2       GLN  87 -14.688  -0.943   5.306
  666   2HB   GLN  87          HB1       GLN  87 -13.308  -1.868   5.880
  667   1HG   GLN  87          HG2       GLN  87 -14.046  -0.640   7.725
  668   2HG   GLN  87          HG1       GLN  87 -12.616   0.211   7.144
  669   1HE2  GLN  87          HE21      GLN  87 -15.688   0.369   5.516
  670   2HE2  GLN  87          HE22      GLN  87 -16.032   2.016   5.901
  671    H    ILE  88           HN       ILE  88 -14.806  -0.093   2.995
  672    HA   ILE  88           HA       ILE  88 -14.813   2.851   3.046
  673    HB   ILE  88           HB       ILE  88 -15.668   2.751   0.679
  674   1HG1  ILE  88          HG12      ILE  88 -14.488  -0.033   0.714
  675   2HG1  ILE  88          HG11      ILE  88 -16.218   0.289   0.785
  676   1HG2  ILE  88          HG21      ILE  88 -13.386   3.429   1.246
  677   2HG2  ILE  88          HG22      ILE  88 -13.440   2.567  -0.292
  678   3HG2  ILE  88          HG23      ILE  88 -12.865   1.745   1.159
  679   1HD1  ILE  88          HD11      ILE  88 -16.093   1.397  -1.389
  680   2HD1  ILE  88          HD12      ILE  88 -15.533  -0.274  -1.464
  681   3HD1  ILE  88          HD13      ILE  88 -14.365   1.048  -1.459
  682    H    GLU  89           HN       GLU  89 -16.494   3.089   4.468
  683    HA   GLU  89           HA       GLU  89 -18.792   1.515   4.600
  684   1HB   GLU  89          HB2       GLU  89 -19.073   4.413   5.201
  685   2HB   GLU  89          HB1       GLU  89 -19.612   3.019   6.123
  686   1HG   GLU  89          HG2       GLU  89 -17.305   2.602   6.827
  687   2HG   GLU  89          HG1       GLU  89 -16.787   4.028   5.928
  688    H    PHE  90           HN       PHE  90 -21.052   2.603   4.276
  689    HA   PHE  90           HA       PHE  90 -21.138   3.945   1.680
  690   1HB   PHE  90          HB2       PHE  90 -22.745   1.492   2.427
  691   2HB   PHE  90          HB1       PHE  90 -23.016   2.466   0.983
  692    HD1  PHE  90           HD1      PHE  90 -20.750   0.110   2.645
  693    HD2  PHE  90           HD2      PHE  90 -21.510   2.358  -0.903
  694    HE1  PHE  90           HE1      PHE  90 -19.059  -1.209   1.441
  695    HE2  PHE  90           HE2      PHE  90 -19.819   1.042  -2.102
  696    HZ   PHE  90           HZ       PHE  90 -18.591  -0.748  -0.931
  697    H    SER  91           HN       SER  91 -23.715   4.383   1.275
  698    HA   SER  91           HA       SER  91 -25.073   5.140   3.686
  699   1HB   SER  91          HB2       SER  91 -23.952   7.350   1.955
  700   2HB   SER  91          HB1       SER  91 -25.058   7.565   3.311
  701    HG   SER  91           HG       SER  91 -22.967   7.905   4.030
  702    H    CYS  92           HN       CYS  92 -27.071   4.618   3.219
  703    HA   CYS  92           HA       CYS  92 -28.030   4.815   0.478
  704   1HB   CYS  92          HB2       CYS  92 -28.528   2.877   2.131
  705   2HB   CYS  92          HB1       CYS  92 -29.741   3.967   2.801
  706    H    SER  93           HN       SER  93 -29.062   6.509  -0.297
  707    HA   SER  93           HA       SER  93 -29.344   8.913   0.985
  708   1HB   SER  93          HB2       SER  93 -30.902   7.788  -1.340
  709   2HB   SER  93          HB1       SER  93 -31.034   9.466  -0.808
  710    HG   SER  93           HG       SER  93 -29.215   9.866  -1.782
  711    H    GLU  94           HN       GLU  94 -31.376  10.144   1.313
  712    HA   GLU  94           HA       GLU  94 -32.813   9.291   3.480
  713   1HB   GLU  94          HB2       GLU  94 -32.821  11.597   2.834
  714   2HB   GLU  94          HB1       GLU  94 -33.566  11.222   1.287
  715   1HG   GLU  94          HG2       GLU  94 -35.268  12.135   2.587
  716   2HG   GLU  94          HG1       GLU  94 -35.554  10.397   2.601
  717    H    GLY  95           HN       GLY  95 -34.936   8.520   3.784
  718   1HA   GLY  95          HA2       GLY  95 -36.844   7.313   3.299
  719   2HA   GLY  95          HA1       GLY  95 -36.516   7.563   1.593
  720    H    PHE  96           HN       PHE  96 -33.810   6.348   1.750
  721    HA   PHE  96           HA       PHE  96 -34.709   3.549   1.959
  722   1HB   PHE  96          HB2       PHE  96 -32.348   3.953   0.304
  723   2HB   PHE  96          HB1       PHE  96 -33.823   3.066  -0.054
  724    HD1  PHE  96           HD1      PHE  96 -31.899   5.987  -0.685
  725    HD2  PHE  96           HD2      PHE  96 -35.838   4.385  -0.854
  726    HE1  PHE  96           HE1      PHE  96 -32.547   7.752  -2.282
  727    HE2  PHE  96           HE2      PHE  96 -36.494   6.141  -2.447
  728    HZ   PHE  96           HZ       PHE  96 -34.847   7.828  -3.166
  729    H    PHE  97           HN       PHE  97 -33.654   2.344   3.400
  730    HA   PHE  97           HA       PHE  97 -31.296   3.492   4.671
  731   1HB   PHE  97          HB2       PHE  97 -31.676   1.975   6.482
  732   2HB   PHE  97          HB1       PHE  97 -33.225   2.680   6.048
  733    HD1  PHE  97           HD1      PHE  97 -34.513   1.229   4.169
  734    HD2  PHE  97           HD2      PHE  97 -31.671  -0.251   6.971
  735    HE1  PHE  97           HE1      PHE  97 -35.501  -1.016   3.979
  736    HE2  PHE  97           HE2      PHE  97 -32.655  -2.499   6.785
  737    HZ   PHE  97           HZ       PHE  97 -34.573  -2.883   5.289
  738    H    LEU  98           HN       LEU  98 -29.609   1.926   5.377
  739    HA   LEU  98           HA       LEU  98 -28.676   0.540   3.004
  740   1HB   LEU  98          HB2       LEU  98 -27.250   2.078   4.409
  741   2HB   LEU  98          HB1       LEU  98 -27.244   0.824   5.635
  742    HG   LEU  98           HG       LEU  98 -26.380   0.150   2.854
  743   1HD1  LEU  98          HD11      LEU  98 -25.236   2.272   3.685
  744   2HD1  LEU  98          HD12      LEU  98 -24.208   0.939   3.159
  745   3HD1  LEU  98          HD13      LEU  98 -24.457   1.235   4.881
  746   1HD2  LEU  98          HD21      LEU  98 -26.698  -1.596   4.569
  747   2HD2  LEU  98          HD22      LEU  98 -25.472  -0.807   5.561
  748   3HD2  LEU  98          HD23      LEU  98 -25.034  -1.490   3.994
  749    H    ILE  99           HN       ILE  99 -28.357  -1.613   2.811
  750    HA   ILE  99           HA       ILE  99 -28.633  -3.438   5.060
  751    HB   ILE  99           HB       ILE  99 -30.309  -4.307   2.836
  752   1HG1  ILE  99          HG12      ILE  99 -31.561  -2.175   4.505
  753   2HG1  ILE  99          HG11      ILE  99 -30.644  -1.714   3.079
  754   1HG2  ILE  99          HG21      ILE  99 -31.827  -4.918   4.649
  755   2HG2  ILE  99          HG22      ILE  99 -30.819  -4.032   5.792
  756   3HG2  ILE  99          HG23      ILE  99 -30.180  -5.458   4.974
  757   1HD1  ILE  99          HD11      ILE  99 -32.095  -3.163   1.717
  758   2HD1  ILE  99          HD12      ILE  99 -32.969  -1.859   2.521
  759   3HD1  ILE  99          HD13      ILE  99 -33.057  -3.504   3.155
  760    H    GLY 100           HN       GLY 100 -26.935  -4.609   4.778
  761   1HA   GLY 100          HA2       GLY 100 -26.430  -6.540   2.966
  762   2HA   GLY 100          HA1       GLY 100 -25.762  -5.104   2.189
  763    H    SER 101           HN       SER 101 -24.559  -3.713   3.896
  764    HA   SER 101           HA       SER 101 -23.142  -4.652   6.034
  765   1HB   SER 101          HB2       SER 101 -22.221  -6.419   4.582
  766   2HB   SER 101          HB1       SER 101 -21.656  -5.198   3.441
  767    HG   SER 101           HG       SER 101 -20.608  -5.970   5.881
  768    H    THR 102           HN       THR 102 -23.001  -2.565   6.756
  769    HA   THR 102           HA       THR 102 -22.713  -0.355   5.029
  770    HB   THR 102           HB       THR 102 -22.566   1.013   6.985
  771    HG1  THR 102           HG1      THR 102 -21.858   0.267   8.908
  772   1HG2  THR 102          HG21      THR 102 -24.300  -1.372   7.644
  773   2HG2  THR 102          HG22      THR 102 -24.764  -0.022   6.608
  774   3HG2  THR 102          HG23      THR 102 -24.459   0.248   8.323
  775    H    THR 103           HN       THR 103 -20.498  -2.593   6.169
  776    HA   THR 103           HA       THR 103 -18.294  -0.743   5.572
  777    HB   THR 103           HB       THR 103 -16.884  -2.341   6.910
  778    HG1  THR 103           HG1      THR 103 -17.860  -4.061   7.645
  779   1HG2  THR 103          HG21      THR 103 -17.533  -1.335   9.049
  780   2HG2  THR 103          HG22      THR 103 -19.067  -0.834   8.333
  781   3HG2  THR 103          HG23      THR 103 -17.553  -0.152   7.737
  782    H    SER 104           HN       SER 104 -16.470  -1.615   4.445
  783    HA   SER 104           HA       SER 104 -16.751  -4.225   3.225
  784   1HB   SER 104          HB2       SER 104 -16.665  -1.630   1.669
  785   2HB   SER 104          HB1       SER 104 -16.209  -3.178   0.960
  786    HG   SER 104           HG       SER 104 -18.254  -3.855   1.067
  787    H    ARG 105           HN       ARG 105 -14.867  -5.121   3.699
  788    HA   ARG 105           HA       ARG 105 -12.507  -3.423   4.096
  789   1HB   ARG 105          HB2       ARG 105 -12.956  -6.328   4.810
  790   2HB   ARG 105          HB1       ARG 105 -11.535  -5.376   5.223
  791   1HG   ARG 105          HG2       ARG 105 -12.974  -3.865   6.542
  792   2HG   ARG 105          HG1       ARG 105 -14.351  -4.908   6.184
  793   1HD   ARG 105          HD2       ARG 105 -13.307  -5.319   8.410
  794   2HD   ARG 105          HD1       ARG 105 -13.370  -6.736   7.363
  795    HE   ARG 105           HE       ARG 105 -10.927  -5.833   6.836
  796   1HH1  ARG 105          HH11      ARG 105 -12.570  -6.231   9.885
  797   2HH1  ARG 105          HH12      ARG 105 -11.117  -6.556  10.771
  798   1HH2  ARG 105          HH21      ARG 105  -9.013  -6.262   7.993
  799   2HH2  ARG 105          HH22      ARG 105  -9.096  -6.574   9.696
  800    H    CYS 106           HN       CYS 106 -10.567  -3.769   3.064
  801    HA   CYS 106           HA       CYS 106 -10.794  -5.174   0.526
  802   1HB   CYS 106          HB2       CYS 106  -9.377  -2.806   1.449
  803   2HB   CYS 106          HB1       CYS 106  -8.305  -3.907   0.590
  804    H    GLU 107           HN       GLU 107 -10.078  -7.169   0.424
  805    HA   GLU 107           HA       GLU 107  -7.810  -7.955   2.129
  806   1HB   GLU 107          HB2       GLU 107 -10.132  -8.908   2.654
  807   2HB   GLU 107          HB1       GLU 107  -9.971  -9.820   1.159
  808   1HG   GLU 107          HG2       GLU 107  -9.359 -11.202   3.020
  809   2HG   GLU 107          HG1       GLU 107  -7.935 -10.871   2.037
  810    H    VAL 108           HN       VAL 108  -7.056 -10.257   1.102
  811    HA   VAL 108           HA       VAL 108  -6.870  -9.962  -1.818
  812    HB   VAL 108           HB       VAL 108  -4.468 -10.411  -0.060
  813   1HG1  VAL 108          HG11      VAL 108  -3.195 -10.287  -2.155
  814   2HG1  VAL 108          HG12      VAL 108  -4.698 -10.124  -3.067
  815   3HG1  VAL 108          HG13      VAL 108  -4.350 -11.620  -2.198
  816   1HG2  VAL 108          HG21      VAL 108  -4.945  -8.057  -1.851
  817   2HG2  VAL 108          HG22      VAL 108  -3.807  -8.221  -0.516
  818   3HG2  VAL 108          HG23      VAL 108  -5.533  -8.075  -0.190
  819    H    GLN 109           HN       GLN 109  -7.071 -11.744  -2.924
  820    HA   GLN 109           HA       GLN 109  -5.993 -14.266  -2.210
  821   1HB   GLN 109          HB2       GLN 109  -8.171 -15.441  -1.839
  822   2HB   GLN 109          HB1       GLN 109  -7.719 -14.336  -0.546
  823   1HG   GLN 109          HG2       GLN 109  -9.192 -12.623  -1.615
  824   2HG   GLN 109          HG1       GLN 109  -9.754 -13.886  -2.710
  825   1HE2  GLN 109          HE21      GLN 109 -11.244 -12.338  -0.745
  826   2HE2  GLN 109          HE22      GLN 109 -11.956 -13.484   0.334
  827    H    ASP 110           HN       ASP 110  -6.001 -12.672  -4.525
  828    HA   ASP 110           HA       ASP 110  -6.739 -14.607  -6.449
  829   1HB   ASP 110          HB2       ASP 110  -8.973 -13.639  -6.031
  830   2HB   ASP 110          HB1       ASP 110  -8.353 -12.054  -6.486
  831    H    ARG 111           HN       ARG 111  -7.113 -11.384  -7.543
  832    HA   ARG 111           HA       ARG 111  -4.591 -11.564  -8.911
  833   1HB   ARG 111          HB2       ARG 111  -7.020  -9.848  -9.172
  834   2HB   ARG 111          HB1       ARG 111  -5.509  -9.316  -9.888
  835   1HG   ARG 111          HG2       ARG 111  -5.407 -11.396 -11.188
  836   2HG   ARG 111          HG1       ARG 111  -6.952 -11.887 -10.490
  837   1HD   ARG 111          HD2       ARG 111  -6.469  -9.433 -12.175
  838   2HD   ARG 111          HD1       ARG 111  -7.249 -10.920 -12.713
  839    HE   ARG 111           HE       ARG 111  -8.668 -10.042 -10.509
  840   1HH1  ARG 111          HH11      ARG 111  -7.895  -8.860 -13.695
  841   2HH1  ARG 111          HH12      ARG 111  -9.355  -7.940 -13.847
  842   1HH2  ARG 111          HH21      ARG 111 -10.591  -8.833 -10.701
  843   2HH2  ARG 111          HH22      ARG 111 -10.887  -7.924 -12.145
  844    H    GLY 112           HN       GLY 112  -4.291 -11.250  -6.186
  845   1HA   GLY 112          HA2       GLY 112  -2.621 -10.047  -5.046
  846   2HA   GLY 112          HA1       GLY 112  -2.829  -8.721  -6.182
  847    H    VAL 113           HN       VAL 113  -5.882  -9.435  -5.541
  848    HA   VAL 113           HA       VAL 113  -6.172  -8.526  -2.885
  849    HB   VAL 113           HB       VAL 113  -7.559  -6.435  -4.171
  850   1HG1  VAL 113          HG11      VAL 113  -6.045  -5.004  -2.899
  851   2HG1  VAL 113          HG12      VAL 113  -4.972  -6.376  -2.623
  852   3HG1  VAL 113          HG13      VAL 113  -6.593  -6.372  -1.928
  853   1HG2  VAL 113          HG21      VAL 113  -6.041  -6.943  -6.094
  854   2HG2  VAL 113          HG22      VAL 113  -4.686  -6.488  -5.055
  855   3HG2  VAL 113          HG23      VAL 113  -5.924  -5.297  -5.467
  856    H    GLY 114           HN       GLY 114  -8.201  -9.045  -2.109
  857   1HA   GLY 114          HA2       GLY 114 -10.230  -9.686  -4.135
  858   2HA   GLY 114          HA1       GLY 114  -9.994 -10.627  -2.667
  859    H    TRP 115           HN       TRP 115 -12.343  -9.019  -3.719
  860    HA   TRP 115           HA       TRP 115 -12.626  -7.073  -1.559
  861   1HB   TRP 115          HB2       TRP 115 -13.601  -7.202  -4.280
  862   2HB   TRP 115          HB1       TRP 115 -14.934  -6.999  -3.156
  863    HD1  TRP 115           HD1      TRP 115 -12.985  -4.919  -5.231
  864    HE1  TRP 115           HE1      TRP 115 -12.709  -2.534  -4.294
  865    HE3  TRP 115           HE3      TRP 115 -14.332  -5.777  -0.373
  866    HZ2  TRP 115           HZ2      TRP 115 -13.014  -1.200  -1.840
  867    HZ3  TRP 115           HZ3      TRP 115 -14.311  -3.889   1.202
  868    HH2  TRP 115           HH2      TRP 115 -13.665  -1.649   0.485
  869    H    SER 116           HN       SER 116 -14.076  -7.331   0.078
  870    HA   SER 116           HA       SER 116 -15.138  -9.914   0.574
  871   1HB   SER 116          HB2       SER 116 -16.272  -8.793   2.519
  872   2HB   SER 116          HB1       SER 116 -14.531  -8.518   2.447
  873    HG   SER 116           HG       SER 116 -15.282  -6.531   1.186
  874    H    HIS 117           HN       HIS 117 -16.962  -6.868   0.408
  875    HA   HIS 117           HA       HIS 117 -18.902  -8.089  -1.397
  876   1HB   HIS 117          HB2       HIS 117 -19.580  -6.993   1.338
  877   2HB   HIS 117          HB1       HIS 117 -20.779  -7.204   0.067
  878    HD1  HIS 117           HD1      HIS 117 -21.386  -9.658  -0.592
  879    HD2  HIS 117           HD2      HIS 117 -18.817  -9.314   2.655
  880    HE1  HIS 117           HE1      HIS 117 -21.386 -11.919   0.507
  881    HE2  HIS 117           HE2      HIS 117 -19.910 -11.655   2.531
  882    HA   PRO 118           HA       PRO 118 -18.606  -3.916  -2.910
  883   1HB   PRO 118          HB2       PRO 118 -20.586  -4.460  -4.905
  884   2HB   PRO 118          HB1       PRO 118 -18.833  -4.445  -5.096
  885   1HG   PRO 118          HG2       PRO 118 -20.422  -6.692  -5.300
  886   2HG   PRO 118          HG1       PRO 118 -18.684  -6.710  -4.955
  887   1HD   PRO 118          HD2       PRO 118 -20.994  -6.970  -3.077
  888   2HD   PRO 118          HD1       PRO 118 -19.427  -7.812  -3.061
  889    H    LEU 119           HN       LEU 119 -20.834  -2.754  -4.285
  890    HA   LEU 119           HA       LEU 119 -22.107  -1.289  -2.405
  891   1HB   LEU 119          HB2       LEU 119 -23.854  -2.087  -4.651
  892   2HB   LEU 119          HB1       LEU 119 -23.442  -0.496  -4.054
  893    HG   LEU 119           HG       LEU 119 -22.578  -0.586  -6.228
  894   1HD1  LEU 119          HD11      LEU 119 -21.013   0.430  -4.762
  895   2HD1  LEU 119          HD12      LEU 119 -20.109  -0.570  -5.901
  896   3HD1  LEU 119          HD13      LEU 119 -20.384  -1.141  -4.255
  897   1HD2  LEU 119          HD21      LEU 119 -21.311  -2.365  -7.164
  898   2HD2  LEU 119          HD22      LEU 119 -22.756  -3.066  -6.434
  899   3HD2  LEU 119          HD23      LEU 119 -21.204  -3.184  -5.606
  900    HA   PRO 120           HA       PRO 120 -24.872  -4.114  -0.374
  901   1HB   PRO 120          HB2       PRO 120 -26.186  -1.890   0.899
  902   2HB   PRO 120          HB1       PRO 120 -25.016  -3.011   1.596
  903   1HG   PRO 120          HG2       PRO 120 -24.528  -0.344   1.146
  904   2HG   PRO 120          HG1       PRO 120 -23.270  -1.587   1.263
  905   1HD   PRO 120          HD2       PRO 120 -24.458  -0.312  -1.166
  906   2HD   PRO 120          HD1       PRO 120 -22.777  -0.797  -0.849
  907    H    GLN 121           HN       GLN 121 -27.430  -3.567   0.389
  908    HA   GLN 121           HA       GLN 121 -28.806  -3.157  -2.169
  909   1HB   GLN 121          HB2       GLN 121 -29.251  -4.952   0.164
  910   2HB   GLN 121          HB1       GLN 121 -30.651  -4.405  -0.738
  911   1HG   GLN 121          HG2       GLN 121 -29.830  -5.393  -2.751
  912   2HG   GLN 121          HG1       GLN 121 -28.278  -5.753  -1.995
  913   1HE2  GLN 121          HE21      GLN 121 -31.648  -6.613  -2.178
  914   2HE2  GLN 121          HE22      GLN 121 -31.498  -8.159  -1.423
  915    H    CYS 122           HN       CYS 122 -29.865  -1.275  -2.347
  916    HA   CYS 122           HA       CYS 122 -30.683   0.092   0.099
  917   1HB   CYS 122          HB2       CYS 122 -29.838   0.940  -2.588
  918   2HB   CYS 122          HB1       CYS 122 -31.164   1.872  -1.895
  919    H    GLU 123           HN       GLU 123 -32.724  -0.220   0.751
  920    HA   GLU 123           HA       GLU 123 -34.849  -0.287  -1.276
  921   1HB   GLU 123          HB2       GLU 123 -34.516  -2.557  -0.410
  922   2HB   GLU 123          HB1       GLU 123 -34.622  -1.959   1.240
  923   1HG   GLU 123          HG2       GLU 123 -36.953  -1.212   0.728
  924   2HG   GLU 123          HG1       GLU 123 -36.812  -2.052  -0.815
  925    H    ILE 124           HN       ILE 124 -36.627   0.910  -0.793
  926    HA   ILE 124           HA       ILE 124 -36.282   3.053   1.033
  927    HB   ILE 124           HB       ILE 124 -37.602   3.142  -1.105
  928   1HG1  ILE 124          HG12      ILE 124 -39.150   4.021   1.338
  929   2HG1  ILE 124          HG11      ILE 124 -37.726   4.856   0.728
  930   1HG2  ILE 124          HG21      ILE 124 -39.662   1.701   0.558
  931   2HG2  ILE 124          HG22      ILE 124 -38.840   1.072  -0.870
  932   3HG2  ILE 124          HG23      ILE 124 -39.953   2.433  -1.020
  933   1HD1  ILE 124          HD11      ILE 124 -39.739   5.964  -0.002
  934   2HD1  ILE 124          HD12      ILE 124 -40.324   4.471  -0.736
  935   3HD1  ILE 124          HD13      ILE 124 -38.892   5.271  -1.384
  936    H    LEU 125           HN       LEU 125 -37.769   3.621   2.778
  937    HA   LEU 125           HA       LEU 125 -38.178   1.388   4.549
  938   1HB   LEU 125          HB2       LEU 125 -38.822   4.318   4.912
  939   2HB   LEU 125          HB1       LEU 125 -38.884   3.103   6.173
  940    HG   LEU 125           HG       LEU 125 -36.376   3.919   4.697
  941   1HD1  LEU 125          HD11      LEU 125 -37.264   4.607   7.494
  942   2HD1  LEU 125          HD12      LEU 125 -37.282   5.713   6.120
  943   3HD1  LEU 125          HD13      LEU 125 -35.750   5.079   6.722
  944   1HD2  LEU 125          HD21      LEU 125 -36.681   2.247   7.183
  945   2HD2  LEU 125          HD22      LEU 125 -35.191   2.601   6.307
  946   3HD2  LEU 125          HD23      LEU 125 -36.431   1.587   5.568
  947    H    GLU 126           HN       GLU 126 -40.048   3.127   2.283
  948    HA   GLU 126           HA       GLU 126 -42.378   1.537   2.926
  949   1HB   GLU 126          HB2       GLU 126 -42.713   3.494   4.353
  950   2HB   GLU 126          HB1       GLU 126 -42.503   4.558   2.968
  951   1HG   GLU 126          HG2       GLU 126 -44.512   3.627   1.944
  952   2HG   GLU 126          HG1       GLU 126 -44.722   2.553   3.327
  953    H    HIS 127           HN       HIS 127 -42.533   4.563   1.166
  954    HA   HIS 127           HA       HIS 127 -41.892   3.616  -1.399
  955   1HB   HIS 127          HB2       HIS 127 -43.915   2.210  -1.026
  956   2HB   HIS 127          HB1       HIS 127 -44.866   3.680  -0.846
  957    HD1  HIS 127           HD1      HIS 127 -43.728   1.304  -3.332
  958    HD2  HIS 127           HD2      HIS 127 -44.867   5.300  -3.311
  959    HE1  HIS 127           HE1      HIS 127 -44.231   1.872  -5.728
  960    HE2  HIS 127           HE2      HIS 127 -44.862   4.311  -5.701
  961    H    HIS 128           HN       HIS 128 -41.270   5.433  -2.338
  962    HA   HIS 128           HA       HIS 128 -43.012   7.780  -2.221
  963   1HB   HIS 128          HB2       HIS 128 -40.075   7.766  -1.509
  964   2HB   HIS 128          HB1       HIS 128 -40.984   9.231  -1.865
  965    HD1  HIS 128           HD1      HIS 128 -40.079   7.027   0.864
  966    HD2  HIS 128           HD2      HIS 128 -43.196   9.647   0.034
  967    HE1  HIS 128           HE1      HIS 128 -41.172   7.494   3.080
  968    HE2  HIS 128           HE2      HIS 128 -43.077   9.055   2.551
  969    H    HIS 129           HN       HIS 129 -41.508   9.570  -3.594
  970    HA   HIS 129           HA       HIS 129 -40.678  10.186  -5.625
  971   1HB   HIS 129          HB2       HIS 129 -39.081   8.324  -5.450
  972   2HB   HIS 129          HB1       HIS 129 -40.285   7.224  -6.115
  973    HD1  HIS 129           HD1      HIS 129 -37.961   9.993  -7.094
  974    HD2  HIS 129           HD2      HIS 129 -40.617   7.343  -8.878
  975    HE1  HIS 129           HE1      HIS 129 -37.527  10.167  -9.565
  976    HE2  HIS 129           HE2      HIS 129 -39.207   8.620 -10.629
  977    H    HIS 130           HN       HIS 130 -42.738   7.291  -5.826
  978    HA   HIS 130           HA       HIS 130 -44.591   6.814  -7.039
  979   1HB   HIS 130          HB2       HIS 130 -44.845   9.819  -7.272
  980   2HB   HIS 130          HB1       HIS 130 -46.120   8.646  -7.578
  981    HD1  HIS 130           HD1      HIS 130 -47.311   7.631  -5.552
  982    HD2  HIS 130           HD2      HIS 130 -44.245  10.250  -4.550
  983    HE1  HIS 130           HE1      HIS 130 -47.581   8.073  -3.090
  984    HE2  HIS 130           HE2      HIS 130 -45.705   9.650  -2.503
  985    H    HIS 131           HN       HIS 131 -44.059   9.779  -8.849
  986    HA   HIS 131           HA       HIS 131 -43.567  10.193 -11.027
  987   1HB   HIS 131          HB2       HIS 131 -41.419   9.127 -10.546
  988   2HB   HIS 131          HB1       HIS 131 -42.116   7.541 -10.861
  989    HD1  HIS 131           HD1      HIS 131 -42.583   6.924 -13.344
  990    HD2  HIS 131           HD2      HIS 131 -40.714  10.596 -12.806
  991    HE1  HIS 131           HE1      HIS 131 -41.741   7.589 -15.617
  992    HE2  HIS 131           HE2      HIS 131 -40.522   9.761 -15.246
  993    H    HIS 132           HN       HIS 132 -43.777   6.655 -11.272
  994    HA   HIS 132           HA       HIS 132 -45.827   6.950 -13.315
  995   1HB   HIS 132          HB2       HIS 132 -43.948   5.437 -13.756
  996   2HB   HIS 132          HB1       HIS 132 -44.366   4.490 -12.330
  997    HD1  HIS 132           HD1      HIS 132 -45.774   5.393 -15.726
  998    HD2  HIS 132           HD2      HIS 132 -46.207   2.517 -12.758
  999    HE1  HIS 132           HE1      HIS 132 -47.315   3.658 -16.693
 1000    HE2  HIS 132           HE2      HIS 132 -47.541   1.911 -14.890
  Start of MODEL   16
    1   1H    MET   0           HT1      MET   0  34.497  -4.300  -0.954
    2   2H    MET   0           HT2      MET   0  34.243  -2.681  -1.372
    3   3H    MET   0           HT3      MET   0  33.370  -3.902  -2.151
    4    HA   MET   0           HA       MET   0  32.250  -4.471  -0.111
    5   1HB   MET   0          HB2       MET   0  33.829  -2.154   1.023
    6   2HB   MET   0          HB1       MET   0  32.532  -2.995   1.860
    7   1HG   MET   0          HG2       MET   0  33.840  -5.063   1.795
    8   2HG   MET   0          HG1       MET   0  35.144  -4.203   0.977
    9   1HE   MET   0          HE1       MET   0  36.856  -5.034   2.831
   10   2HE   MET   0          HE2       MET   0  35.556  -5.893   3.659
   11   3HE   MET   0          HE3       MET   0  36.611  -4.805   4.563
   12    H    ASN   1           HN       ASN   1  33.015  -1.015  -0.585
   13    HA   ASN   1           HA       ASN   1  30.395  -0.088  -0.366
   14   1HB   ASN   1          HB2       ASN   1  32.865   1.028  -1.655
   15   2HB   ASN   1          HB1       ASN   1  31.326   1.879  -1.773
   16   1HD2  ASN   1          HD21      ASN   1  30.418   2.776   0.045
   17   2HD2  ASN   1          HD22      ASN   1  31.287   2.996   1.520
   18    H    CYS   2           HN       CYS   2  28.828   0.493  -1.866
   19    HA   CYS   2           HA       CYS   2  29.017  -0.940  -4.423
   20   1HB   CYS   2          HB2       CYS   2  26.375  -0.181  -4.124
   21   2HB   CYS   2          HB1       CYS   2  27.045  -1.767  -3.755
   22    H    GLY   3           HN       GLY   3  27.313   0.177  -6.063
   23   1HA   GLY   3          HA2       GLY   3  28.390   2.811  -6.562
   24   2HA   GLY   3          HA1       GLY   3  27.256   1.932  -7.583
   25    HA   PRO   4           HA       PRO   4  25.313   5.679  -5.192
   26   1HB   PRO   4          HB2       PRO   4  24.226   5.789  -7.985
   27   2HB   PRO   4          HB1       PRO   4  24.559   7.110  -6.857
   28   1HG   PRO   4          HG2       PRO   4  26.271   6.577  -8.816
   29   2HG   PRO   4          HG1       PRO   4  26.864   6.989  -7.197
   30   1HD   PRO   4          HD2       PRO   4  26.787   4.347  -8.571
   31   2HD   PRO   4          HD1       PRO   4  27.948   4.970  -7.381
   32    HA   PRO   5           HA       PRO   5  21.794   3.178  -4.240
   33   1HB   PRO   5          HB2       PRO   5  20.374   5.726  -3.729
   34   2HB   PRO   5          HB1       PRO   5  20.674   4.365  -2.643
   35   1HG   PRO   5          HG2       PRO   5  22.011   6.651  -2.361
   36   2HG   PRO   5          HG1       PRO   5  22.813   5.087  -2.118
   37   1HD   PRO   5          HD2       PRO   5  22.910   6.920  -4.490
   38   2HD   PRO   5          HD1       PRO   5  24.230   6.023  -3.712
   39    HA   PRO   6           HA       PRO   6  19.671   3.433  -8.226
   40   1HB   PRO   6          HB2       PRO   6  18.161   1.168  -7.695
   41   2HB   PRO   6          HB1       PRO   6  19.752   1.164  -8.465
   42   1HG   PRO   6          HG2       PRO   6  19.004   0.614  -5.630
   43   2HG   PRO   6          HG1       PRO   6  20.247  -0.152  -6.636
   44   1HD   PRO   6          HD2       PRO   6  20.859   1.665  -4.749
   45   2HD   PRO   6          HD1       PRO   6  21.769   1.545  -6.269
   46    H    THR   7           HN       THR   7  17.281   2.939  -8.711
   47    HA   THR   7           HA       THR   7  15.701   4.644  -6.925
   48    HB   THR   7           HB       THR   7  15.851   5.315  -9.303
   49    HG1  THR   7           HG1      THR   7  13.327   4.523  -8.263
   50   1HG2  THR   7          HG21      THR   7  14.667   4.002 -11.010
   51   2HG2  THR   7          HG22      THR   7  14.378   2.730  -9.822
   52   3HG2  THR   7          HG23      THR   7  16.026   3.108 -10.326
   53    H    LEU   8           HN       LEU   8  14.008   3.854  -5.786
   54    HA   LEU   8           HA       LEU   8  13.231   1.071  -6.322
   55   1HB   LEU   8          HB2       LEU   8  12.859   2.626  -3.768
   56   2HB   LEU   8          HB1       LEU   8  12.578   0.912  -4.006
   57    HG   LEU   8           HG       LEU   8  15.219   2.354  -3.930
   58   1HD1  LEU   8          HD11      LEU   8  14.280   1.792  -1.771
   59   2HD1  LEU   8          HD12      LEU   8  15.672   0.766  -2.112
   60   3HD1  LEU   8          HD13      LEU   8  14.040   0.123  -2.285
   61   1HD2  LEU   8          HD21      LEU   8  15.241   0.745  -5.774
   62   2HD2  LEU   8          HD22      LEU   8  14.724  -0.523  -4.663
   63   3HD2  LEU   8          HD23      LEU   8  16.295   0.250  -4.450
   64    H    SER   9           HN       SER   9  11.372   0.934  -7.421
   65    HA   SER   9           HA       SER   9   9.461   3.049  -7.427
   66   1HB   SER   9          HB2       SER   9   8.072   1.511  -8.776
   67   2HB   SER   9          HB1       SER   9   9.729   1.569  -9.377
   68    HG   SER   9           HG       SER   9   9.621  -0.354  -7.572
   69    H    PHE  10           HN       PHE  10  10.133   0.511  -5.316
   70    HA   PHE  10           HA       PHE  10   7.444   0.650  -4.132
   71   1HB   PHE  10          HB2       PHE  10   8.364  -1.476  -2.888
   72   2HB   PHE  10          HB1       PHE  10   7.719  -1.604  -4.519
   73    HD1  PHE  10           HD1      PHE  10  10.901  -1.186  -2.653
   74    HD2  PHE  10           HD2      PHE  10   8.995  -2.529  -6.211
   75    HE1  PHE  10           HE1      PHE  10  13.022  -2.173  -3.412
   76    HE2  PHE  10           HE2      PHE  10  11.112  -3.521  -6.977
   77    HZ   PHE  10           HZ       PHE  10  13.129  -3.343  -5.575
   78    H    ALA  11           HN       ALA  11   9.193   2.712  -3.689
   79    HA   ALA  11           HA       ALA  11   9.078   3.374  -1.142
   80   1HB   ALA  11          HB1       ALA  11  11.671   1.836  -1.436
   81   2HB   ALA  11          HB2       ALA  11  10.284   1.330  -0.473
   82   3HB   ALA  11          HB3       ALA  11  11.186   2.778  -0.026
   83    H    ALA  12           HN       ALA  12  10.107   5.297  -0.686
   84    HA   ALA  12           HA       ALA  12  11.969   6.264  -2.757
   85   1HB   ALA  12          HB1       ALA  12  10.929   8.483  -2.564
   86   2HB   ALA  12          HB2       ALA  12   9.758   7.830  -1.418
   87   3HB   ALA  12          HB3       ALA  12   9.771   7.260  -3.087
   88    HA   PRO  13           HA       PRO  13  14.953   7.208   0.365
   89   1HB   PRO  13          HB2       PRO  13  15.048   9.903  -0.926
   90   2HB   PRO  13          HB1       PRO  13  16.373   8.816  -0.496
   91   1HG   PRO  13          HG2       PRO  13  15.558   9.040  -3.024
   92   2HG   PRO  13          HG1       PRO  13  16.049   7.471  -2.357
   93   1HD   PRO  13          HD2       PRO  13  13.327   8.500  -2.979
   94   2HD   PRO  13          HD1       PRO  13  13.948   6.839  -3.032
   95    H    MET  14           HN       MET  14  15.056   8.199   2.346
   96    HA   MET  14           HA       MET  14  13.357  10.471   2.935
   97   1HB   MET  14          HB2       MET  14  11.842   8.544   3.186
   98   2HB   MET  14          HB1       MET  14  12.950   7.836   4.353
   99   1HG   MET  14          HG2       MET  14  11.038   8.931   5.413
  100   2HG   MET  14          HG1       MET  14  12.575   9.658   5.881
  101   1HE   MET  14          HE1       MET  14  11.675  11.892   6.761
  102   2HE   MET  14          HE2       MET  14  10.038  11.260   6.572
  103   3HE   MET  14          HE3       MET  14  10.443  12.860   5.952
  104    H    ASP  15           HN       ASP  15  15.856   8.248   3.810
  105    HA   ASP  15           HA       ASP  15  16.920  10.228   5.669
  106   1HB   ASP  15          HB2       ASP  15  15.629   8.678   7.078
  107   2HB   ASP  15          HB1       ASP  15  16.553   7.323   6.436
  108    H    ILE  16           HN       ILE  16  18.317  10.451   3.777
  109    HA   ILE  16           HA       ILE  16  20.784   9.178   4.129
  110    HB   ILE  16           HB       ILE  16  19.949   7.278   3.060
  111   1HG1  ILE  16          HG12      ILE  16  21.093   7.235   0.868
  112   2HG1  ILE  16          HG11      ILE  16  21.282   8.979   0.961
  113   1HG2  ILE  16          HG21      ILE  16  18.687   7.303   0.963
  114   2HG2  ILE  16          HG22      ILE  16  18.694   9.066   1.002
  115   3HG2  ILE  16          HG23      ILE  16  17.850   8.160   2.258
  116   1HD1  ILE  16          HD11      ILE  16  22.463   6.982   2.873
  117   2HD1  ILE  16          HD12      ILE  16  22.666   8.734   2.941
  118   3HD1  ILE  16          HD13      ILE  16  23.323   7.822   1.582
  119    H    THR  17           HN       THR  17  21.721  11.163   3.995
  120    HA   THR  17           HA       THR  17  21.115  13.162   2.147
  121    HB   THR  17           HB       THR  17  23.462  13.982   2.513
  122    HG1  THR  17           HG1      THR  17  24.863  12.779   3.612
  123   1HG2  THR  17          HG21      THR  17  21.631  14.682   3.983
  124   2HG2  THR  17          HG22      THR  17  23.140  14.528   4.881
  125   3HG2  THR  17          HG23      THR  17  21.909  13.272   5.006
  126    H    LEU  18           HN       LEU  18  21.174  13.005   0.006
  127    HA   LEU  18           HA       LEU  18  22.662  10.957  -1.294
  128   1HB   LEU  18          HB2       LEU  18  20.705  13.032  -2.070
  129   2HB   LEU  18          HB1       LEU  18  21.786  12.476  -3.329
  130    HG   LEU  18           HG       LEU  18  19.753  11.207  -3.457
  131   1HD1  LEU  18          HD11      LEU  18  21.745   9.945  -3.939
  132   2HD1  LEU  18          HD12      LEU  18  20.601   8.912  -3.081
  133   3HD1  LEU  18          HD13      LEU  18  21.985   9.598  -2.227
  134   1HD2  LEU  18          HD21      LEU  18  18.901  11.548  -1.230
  135   2HD2  LEU  18          HD22      LEU  18  20.210  10.585  -0.545
  136   3HD2  LEU  18          HD23      LEU  18  18.989   9.818  -1.562
  137    H    THR  19           HN       THR  19  24.377  12.678   0.098
  138    HA   THR  19           HA       THR  19  25.678  14.278  -1.987
  139    HB   THR  19           HB       THR  19  26.896  15.392  -0.236
  140    HG1  THR  19           HG1      THR  19  25.606  14.030   1.831
  141   1HG2  THR  19          HG21      THR  19  25.022  16.308   1.125
  142   2HG2  THR  19          HG22      THR  19  23.979  15.044   0.471
  143   3HG2  THR  19          HG23      THR  19  24.675  16.258  -0.604
  144    H    GLU  20           HN       GLU  20  25.746  11.220  -1.069
  145    HA   GLU  20           HA       GLU  20  28.678  10.976  -1.232
  146   1HB   GLU  20          HB2       GLU  20  26.629   9.149   0.028
  147   2HB   GLU  20          HB1       GLU  20  28.308   8.692  -0.227
  148   1HG   GLU  20          HG2       GLU  20  27.368  11.016   1.438
  149   2HG   GLU  20          HG1       GLU  20  27.876   9.447   2.061
  150    H    THR  21           HN       THR  21  29.385   8.864  -2.259
  151    HA   THR  21           HA       THR  21  27.714   8.317  -4.630
  152    HB   THR  21           HB       THR  21  30.051   7.598  -5.584
  153    HG1  THR  21           HG1      THR  21  30.734   8.676  -3.242
  154   1HG2  THR  21          HG21      THR  21  28.718   9.335  -6.588
  155   2HG2  THR  21          HG22      THR  21  30.376   9.919  -6.439
  156   3HG2  THR  21          HG23      THR  21  29.143  10.462  -5.301
  157    H    ARG  22           HN       ARG  22  29.771   6.986  -2.141
  158    HA   ARG  22           HA       ARG  22  28.954   4.277  -2.955
  159   1HB   ARG  22          HB2       ARG  22  31.540   5.091  -1.627
  160   2HB   ARG  22          HB1       ARG  22  31.048   3.442  -1.984
  161   1HG   ARG  22          HG2       ARG  22  31.180   3.824  -4.330
  162   2HG   ARG  22          HG1       ARG  22  31.409   5.558  -4.091
  163   1HD   ARG  22          HD2       ARG  22  33.523   4.498  -4.626
  164   2HD   ARG  22          HD1       ARG  22  33.548   5.110  -2.973
  165    HE   ARG  22           HE       ARG  22  32.757   2.379  -3.066
  166   1HH1  ARG  22          HH11      ARG  22  35.531   4.481  -3.241
  167   2HH1  ARG  22          HH12      ARG  22  36.636   3.285  -2.652
  168   1HH2  ARG  22          HH21      ARG  22  34.209   0.794  -2.300
  169   2HH2  ARG  22          HH22      ARG  22  35.886   1.190  -2.118
  170    H    PHE  23           HN       PHE  23  28.847   2.728  -1.113
  171    HA   PHE  23           HA       PHE  23  28.469   3.874   1.532
  172   1HB   PHE  23          HB2       PHE  23  26.212   2.368   0.190
  173   2HB   PHE  23          HB1       PHE  23  26.190   3.128   1.778
  174    HD1  PHE  23           HD1      PHE  23  25.432   5.324   2.022
  175    HD2  PHE  23           HD2      PHE  23  26.500   3.883  -1.836
  176    HE1  PHE  23           HE1      PHE  23  24.561   7.390   1.009
  177    HE2  PHE  23           HE2      PHE  23  25.644   5.943  -2.850
  178    HZ   PHE  23           HZ       PHE  23  24.666   7.703  -1.431
  179    H    LYS  24           HN       LYS  24  29.678   2.539   2.717
  180    HA   LYS  24           HA       LYS  24  30.623   0.062   1.993
  181   1HB   LYS  24          HB2       LYS  24  30.874  -0.291   4.548
  182   2HB   LYS  24          HB1       LYS  24  31.760   1.010   3.767
  183   1HG   LYS  24          HG2       LYS  24  29.930   2.565   4.460
  184   2HG   LYS  24          HG1       LYS  24  29.233   1.235   5.386
  185   1HD   LYS  24          HD2       LYS  24  30.508   2.475   6.931
  186   2HD   LYS  24          HD1       LYS  24  31.485   1.057   6.546
  187   1HE   LYS  24          HE2       LYS  24  32.819   2.361   4.995
  188   2HE   LYS  24          HE1       LYS  24  31.808   3.777   5.284
  189   1HZ   LYS  24          HZ1       LYS  24  33.548   2.427   7.277
  190   2HZ   LYS  24          HZ2       LYS  24  32.518   3.725   7.616
  191   3HZ   LYS  24          HZ3       LYS  24  33.823   3.937   6.561
  192    H    THR  25           HN       THR  25  30.281  -2.031   3.148
  193    HA   THR  25           HA       THR  25  27.622  -2.896   2.685
  194    HB   THR  25           HB       THR  25  28.561  -4.996   3.898
  195    HG1  THR  25           HG1      THR  25  30.637  -3.318   4.038
  196   1HG2  THR  25          HG21      THR  25  29.753  -4.204   1.240
  197   2HG2  THR  25          HG22      THR  25  28.085  -4.732   1.441
  198   3HG2  THR  25          HG23      THR  25  29.408  -5.843   1.802
  199    H    GLY  26           HN       GLY  26  28.819  -1.225   5.238
  200   1HA   GLY  26          HA2       GLY  26  27.161  -2.627   7.226
  201   2HA   GLY  26          HA1       GLY  26  28.407  -1.440   7.593
  202    H    THR  27           HN       THR  27  27.195   0.049   5.180
  203    HA   THR  27           HA       THR  27  25.697   1.930   6.660
  204    HB   THR  27           HB       THR  27  26.921   2.298   4.436
  205    HG1  THR  27           HG1      THR  27  24.640   3.434   5.447
  206   1HG2  THR  27          HG21      THR  27  24.260   1.708   3.196
  207   2HG2  THR  27          HG22      THR  27  25.467   0.429   3.366
  208   3HG2  THR  27          HG23      THR  27  25.843   1.874   2.428
  209    H    THR  28           HN       THR  28  23.413   2.629   6.003
  210    HA   THR  28           HA       THR  28  21.643   0.590   5.035
  211    HB   THR  28           HB       THR  28  21.559   1.299   7.974
  212    HG1  THR  28           HG1      THR  28  21.721  -1.058   8.108
  213   1HG2  THR  28          HG21      THR  28  19.301   1.253   7.009
  214   2HG2  THR  28          HG22      THR  28  19.567  -0.103   8.104
  215   3HG2  THR  28          HG23      THR  28  19.617  -0.356   6.359
  216    H    LEU  29           HN       LEU  29  20.007   1.558   4.028
  217    HA   LEU  29           HA       LEU  29  19.586   4.404   4.484
  218   1HB   LEU  29          HB2       LEU  29  18.536   2.543   2.353
  219   2HB   LEU  29          HB1       LEU  29  18.106   4.239   2.462
  220    HG   LEU  29           HG       LEU  29  20.644   4.687   2.310
  221   1HD1  LEU  29          HD11      LEU  29  21.358   2.393   2.713
  222   2HD1  LEU  29          HD12      LEU  29  21.909   2.962   1.137
  223   3HD1  LEU  29          HD13      LEU  29  20.528   1.871   1.249
  224   1HD2  LEU  29          HD21      LEU  29  19.151   3.561  -0.057
  225   2HD2  LEU  29          HD22      LEU  29  20.573   4.603  -0.132
  226   3HD2  LEU  29          HD23      LEU  29  19.060   5.221   0.532
  227    H    LYS  30           HN       LYS  30  16.866   4.517   3.583
  228    HA   LYS  30           HA       LYS  30  15.428   3.091   5.708
  229   1HB   LYS  30          HB2       LYS  30  15.968   5.450   6.391
  230   2HB   LYS  30          HB1       LYS  30  14.953   5.998   5.064
  231   1HG   LYS  30          HG2       LYS  30  13.023   4.927   6.051
  232   2HG   LYS  30          HG1       LYS  30  14.025   4.264   7.343
  233   1HD   LYS  30          HD2       LYS  30  14.581   6.570   8.043
  234   2HD   LYS  30          HD1       LYS  30  13.476   7.180   6.809
  235   1HE   LYS  30          HE2       LYS  30  12.726   5.379   9.109
  236   2HE   LYS  30          HE1       LYS  30  12.429   7.115   9.027
  237   1HZ   LYS  30          HZ1       LYS  30  10.465   5.843   8.426
  238   2HZ   LYS  30          HZ2       LYS  30  11.308   5.087   7.170
  239   3HZ   LYS  30          HZ3       LYS  30  11.013   6.752   7.109
  240    H    TYR  31           HN       TYR  31  14.419   5.562   3.367
  241    HA   TYR  31           HA       TYR  31  12.991   5.518   1.605
  242   1HB   TYR  31          HB2       TYR  31  13.737   2.638   1.797
  243   2HB   TYR  31          HB1       TYR  31  12.358   3.073   0.791
  244    HD1  TYR  31           HD1      TYR  31  12.673   4.079  -1.333
  245    HD2  TYR  31           HD2      TYR  31  15.984   3.611   1.294
  246    HE1  TYR  31           HE1      TYR  31  14.199   4.684  -3.162
  247    HE2  TYR  31           HE2      TYR  31  17.520   4.214  -0.528
  248    HH   TYR  31           HH       TYR  31  16.462   5.584  -3.448
  249    H    THR  32           HN       THR  32  10.817   5.659   1.336
  250    HA   THR  32           HA       THR  32   9.170   4.784   3.600
  251    HB   THR  32           HB       THR  32   7.744   6.564   3.192
  252    HG1  THR  32           HG1      THR  32   7.163   6.335   1.087
  253   1HG2  THR  32          HG21      THR  32   9.965   7.410   3.801
  254   2HG2  THR  32          HG22      THR  32   9.109   8.545   2.757
  255   3HG2  THR  32          HG23      THR  32  10.386   7.525   2.091
  256    H    CYS  33           HN       CYS  33   6.647   5.016   2.361
  257    HA   CYS  33           HA       CYS  33   6.594   3.099   0.169
  258   1HB   CYS  33          HB2       CYS  33   5.081   2.541   2.727
  259   2HB   CYS  33          HB1       CYS  33   5.149   1.524   1.291
  260    H    LEU  34           HN       LEU  34   5.369   3.955  -1.228
  261    HA   LEU  34           HA       LEU  34   3.643   6.104  -0.978
  262   1HB   LEU  34          HB2       LEU  34   3.281   3.963  -3.059
  263   2HB   LEU  34          HB1       LEU  34   2.936   5.676  -3.201
  264    HG   LEU  34           HG       LEU  34   5.692   4.452  -2.976
  265   1HD1  LEU  34          HD11      LEU  34   5.946   5.192  -5.301
  266   2HD1  LEU  34          HD12      LEU  34   4.255   5.694  -5.316
  267   3HD1  LEU  34          HD13      LEU  34   4.668   3.991  -5.124
  268   1HD2  LEU  34          HD21      LEU  34   4.945   7.316  -3.534
  269   2HD2  LEU  34          HD22      LEU  34   6.564   6.649  -3.323
  270   3HD2  LEU  34          HD23      LEU  34   5.452   6.715  -1.955
  271    HA   PRO  35           HA       PRO  35  -0.405   5.243   0.496
  272   1HB   PRO  35          HB2       PRO  35  -1.746   4.992  -2.043
  273   2HB   PRO  35          HB1       PRO  35  -1.831   6.311  -0.877
  274   1HG   PRO  35          HG2       PRO  35  -0.212   6.077  -3.318
  275   2HG   PRO  35          HG1       PRO  35  -0.680   7.525  -2.414
  276   1HD   PRO  35          HD2       PRO  35   1.852   6.602  -2.436
  277   2HD   PRO  35          HD1       PRO  35   1.149   7.393  -1.008
  278    H    GLY  36           HN       GLY  36  -0.988   3.573  -2.525
  279   1HA   GLY  36          HA2       GLY  36  -2.143   1.315  -1.416
  280   2HA   GLY  36          HA1       GLY  36  -1.426   1.373  -3.016
  281    H    TYR  37           HN       TYR  37   1.148   2.145  -1.419
  282    HA   TYR  37           HA       TYR  37   2.152  -0.563  -1.315
  283   1HB   TYR  37          HB2       TYR  37   3.342   2.165  -1.030
  284   2HB   TYR  37          HB1       TYR  37   4.196   0.822  -0.281
  285    HD1  TYR  37           HD1      TYR  37   4.344  -1.318  -1.969
  286    HD2  TYR  37           HD2      TYR  37   4.085   2.771  -3.111
  287    HE1  TYR  37           HE1      TYR  37   5.394  -1.859  -4.125
  288    HE2  TYR  37           HE2      TYR  37   5.134   2.242  -5.271
  289    HH   TYR  37           HH       TYR  37   5.491  -0.924  -6.410
  290    H    VAL  38           HN       VAL  38   0.856  -1.466   0.423
  291    HA   VAL  38           HA       VAL  38   0.971  -0.271   3.030
  292    HB   VAL  38           HB       VAL  38  -0.524  -2.002   3.701
  293   1HG1  VAL  38          HG11      VAL  38  -1.389  -0.246   2.123
  294   2HG1  VAL  38          HG12      VAL  38  -2.334  -1.733   2.187
  295   3HG1  VAL  38          HG13      VAL  38  -1.244  -1.441   0.831
  296   1HG2  VAL  38          HG21      VAL  38  -1.023  -3.969   2.392
  297   2HG2  VAL  38          HG22      VAL  38   0.713  -3.887   2.697
  298   3HG2  VAL  38          HG23      VAL  38   0.072  -3.434   1.118
  299    H    ARG  39           HN       ARG  39   1.060  -2.596   4.603
  300    HA   ARG  39           HA       ARG  39   3.780  -3.574   4.129
  301   1HB   ARG  39          HB2       ARG  39   4.301  -3.332   6.511
  302   2HB   ARG  39          HB1       ARG  39   3.906  -1.782   5.780
  303   1HG   ARG  39          HG2       ARG  39   1.679  -1.867   6.739
  304   2HG   ARG  39          HG1       ARG  39   2.020  -3.456   7.426
  305   1HD   ARG  39          HD2       ARG  39   2.263  -1.753   9.126
  306   2HD   ARG  39          HD1       ARG  39   3.830  -2.473   8.763
  307    HE   ARG  39           HE       ARG  39   3.711  -0.282   7.150
  308   1HH1  ARG  39          HH11      ARG  39   3.365  -0.822  10.575
  309   2HH1  ARG  39          HH12      ARG  39   3.971   0.741  11.013
  310   1HH2  ARG  39          HH21      ARG  39   4.509   1.778   7.719
  311   2HH2  ARG  39          HH22      ARG  39   4.622   2.217   9.390
  312    H    SER  40           HN       SER  40   4.180  -5.619   4.537
  313    HA   SER  40           HA       SER  40   2.182  -7.238   5.949
  314   1HB   SER  40          HB2       SER  40   3.412  -7.887   3.256
  315   2HB   SER  40          HB1       SER  40   2.442  -9.008   4.211
  316    HG   SER  40           HG       SER  40   1.282  -6.546   3.770
  317    H    HIS  41           HN       HIS  41   4.529  -6.253   7.015
  318    HA   HIS  41           HA       HIS  41   6.283  -6.925   8.291
  319   1HB   HIS  41          HB2       HIS  41   5.450  -9.692   7.396
  320   2HB   HIS  41          HB1       HIS  41   6.687  -9.366   8.606
  321    HD1  HIS  41           HD1      HIS  41   5.885  -9.321  10.943
  322    HD2  HIS  41           HD2      HIS  41   2.822  -8.568   8.240
  323    HE1  HIS  41           HE1      HIS  41   3.792  -9.162  12.328
  324    HE2  HIS  41           HE2      HIS  41   1.970  -8.599  10.682
  325    H    SER  42           HN       SER  42   8.320  -8.658   7.963
  326    HA   SER  42           HA       SER  42  10.200  -9.148   6.771
  327   1HB   SER  42          HB2       SER  42   8.550  -8.442   4.341
  328   2HB   SER  42          HB1       SER  42  10.105  -9.276   4.326
  329    HG   SER  42           HG       SER  42   7.614 -10.199   5.284
  330    H    THR  43           HN       THR  43   8.774  -6.167   6.938
  331    HA   THR  43           HA       THR  43  10.012  -4.398   5.341
  332    HB   THR  43           HB       THR  43  10.112  -2.835   7.302
  333    HG1  THR  43           HG1      THR  43   9.808  -5.216   8.622
  334   1HG2  THR  43          HG21      THR  43   7.689  -2.738   7.610
  335   2HG2  THR  43          HG22      THR  43   7.536  -4.367   6.951
  336   3HG2  THR  43          HG23      THR  43   8.097  -3.049   5.922
  337    H    GLN  44           HN       GLN  44  11.984  -3.492   5.055
  338    HA   GLN  44           HA       GLN  44  14.140  -4.062   6.919
  339   1HB   GLN  44          HB2       GLN  44  13.885  -5.892   5.045
  340   2HB   GLN  44          HB1       GLN  44  14.665  -4.680   4.038
  341   1HG   GLN  44          HG2       GLN  44  16.321  -6.187   4.888
  342   2HG   GLN  44          HG1       GLN  44  16.544  -4.606   5.635
  343   1HE2  GLN  44          HE21      GLN  44  15.557  -7.900   6.131
  344   2HE2  GLN  44          HE22      GLN  44  15.573  -7.859   7.858
  345    H    THR  45           HN       THR  45  16.039  -3.373   4.662
  346    HA   THR  45           HA       THR  45  15.437  -0.687   3.898
  347    HB   THR  45           HB       THR  45  17.547   0.192   5.075
  348    HG1  THR  45           HG1      THR  45  17.047  -2.189   6.546
  349   1HG2  THR  45          HG21      THR  45  16.301   0.685   7.178
  350   2HG2  THR  45          HG22      THR  45  15.061  -0.462   6.665
  351   3HG2  THR  45          HG23      THR  45  15.365   0.993   5.716
  352    H    LEU  46           HN       LEU  46  17.962   0.199   3.311
  353    HA   LEU  46           HA       LEU  46  18.855  -1.895   1.452
  354   1HB   LEU  46          HB2       LEU  46  18.872   1.093   1.279
  355   2HB   LEU  46          HB1       LEU  46  19.977   0.139   0.305
  356    HG   LEU  46           HG       LEU  46  16.968  -0.124   0.268
  357   1HD1  LEU  46          HD11      LEU  46  17.675   1.989  -0.674
  358   2HD1  LEU  46          HD12      LEU  46  17.128   0.898  -1.945
  359   3HD1  LEU  46          HD13      LEU  46  18.854   1.162  -1.694
  360   1HD2  LEU  46          HD21      LEU  46  18.031  -2.210  -0.273
  361   2HD2  LEU  46          HD22      LEU  46  19.131  -1.404  -1.391
  362   3HD2  LEU  46          HD23      LEU  46  17.406  -1.482  -1.753
  363    H    THR  47           HN       THR  47  20.570  -2.931   2.078
  364    HA   THR  47           HA       THR  47  22.757  -1.449   3.387
  365    HB   THR  47           HB       THR  47  22.049  -4.345   3.912
  366    HG1  THR  47           HG1      THR  47  21.532  -3.255   6.079
  367   1HG2  THR  47          HG21      THR  47  24.376  -3.912   4.297
  368   2HG2  THR  47          HG22      THR  47  23.577  -4.003   5.867
  369   3HG2  THR  47          HG23      THR  47  24.009  -2.434   5.187
  370    H    CYS  48           HN       CYS  48  24.762  -1.743   2.472
  371    HA   CYS  48           HA       CYS  48  24.878  -3.003  -0.058
  372   1HB   CYS  48          HB2       CYS  48  26.389  -1.104   1.022
  373   2HB   CYS  48          HB1       CYS  48  27.381  -2.478   1.490
  374    H    ASN  49           HN       ASN  49  24.913  -5.087  -0.408
  375    HA   ASN  49           HA       ASN  49  25.809  -6.907   1.684
  376   1HB   ASN  49          HB2       ASN  49  24.841  -8.660   0.226
  377   2HB   ASN  49          HB1       ASN  49  23.676  -7.390   0.595
  378   1HD2  ASN  49          HD21      ASN  49  23.021  -5.990  -1.014
  379   2HD2  ASN  49          HD22      ASN  49  23.327  -6.293  -2.688
  380    H    SER  50           HN       SER  50  26.683  -9.056   0.169
  381    HA   SER  50           HA       SER  50  29.145  -7.951  -1.001
  382   1HB   SER  50          HB2       SER  50  29.559  -9.281   0.999
  383   2HB   SER  50          HB1       SER  50  28.675 -10.644   0.310
  384    HG   SER  50           HG       SER  50  30.888 -10.936   0.004
  385    H    ASP  51           HN       ASP  51  27.279  -7.855  -2.781
  386    HA   ASP  51           HA       ASP  51  27.658 -10.176  -4.586
  387   1HB   ASP  51          HB2       ASP  51  25.336 -10.096  -3.690
  388   2HB   ASP  51          HB1       ASP  51  25.164  -8.479  -4.364
  389    H    GLY  52           HN       GLY  52  26.983  -6.707  -4.252
  390   1HA   GLY  52          HA2       GLY  52  28.809  -5.492  -5.687
  391   2HA   GLY  52          HA1       GLY  52  27.921  -6.270  -6.990
  392    H    GLU  53           HN       GLU  53  25.735  -5.707  -4.653
  393    HA   GLU  53           HA       GLU  53  25.229  -2.892  -5.172
  394   1HB   GLU  53          HB2       GLU  53  23.087  -3.211  -6.227
  395   2HB   GLU  53          HB1       GLU  53  24.319  -4.056  -7.155
  396   1HG   GLU  53          HG2       GLU  53  23.644  -6.143  -5.928
  397   2HG   GLU  53          HG1       GLU  53  22.272  -5.237  -5.305
  398    H    TRP  54           HN       TRP  54  22.399  -3.185  -4.628
  399    HA   TRP  54           HA       TRP  54  22.553  -3.439  -1.734
  400   1HB   TRP  54          HB2       TRP  54  20.522  -2.109  -3.531
  401   2HB   TRP  54          HB1       TRP  54  20.499  -2.083  -1.775
  402    HD1  TRP  54           HD1      TRP  54  22.135  -0.426  -4.751
  403    HE1  TRP  54           HE1      TRP  54  23.637   1.498  -3.926
  404    HE3  TRP  54           HE3      TRP  54  22.002  -1.411   0.238
  405    HZ2  TRP  54           HZ2      TRP  54  24.638   2.466  -1.461
  406    HZ3  TRP  54           HZ3      TRP  54  23.251   0.053   1.777
  407    HH2  TRP  54           HH2      TRP  54  24.540   1.950   0.939
  408    H    VAL  55           HN       VAL  55  21.711  -5.072  -0.751
  409    HA   VAL  55           HA       VAL  55  19.766  -6.863  -2.080
  410    HB   VAL  55           HB       VAL  55  22.020  -7.271  -0.212
  411   1HG1  VAL  55          HG11      VAL  55  19.363  -8.590   0.246
  412   2HG1  VAL  55          HG12      VAL  55  20.385  -7.738   1.406
  413   3HG1  VAL  55          HG13      VAL  55  20.887  -9.306   0.773
  414   1HG2  VAL  55          HG21      VAL  55  21.987  -8.175  -2.488
  415   2HG2  VAL  55          HG22      VAL  55  20.547  -9.116  -2.095
  416   3HG2  VAL  55          HG23      VAL  55  22.076  -9.464  -1.287
  417    H    TYR  56           HN       TYR  56  17.918  -7.560  -0.942
  418    HA   TYR  56           HA       TYR  56  17.185  -6.984   1.569
  419   1HB   TYR  56          HB2       TYR  56  15.905  -4.873   1.504
  420   2HB   TYR  56          HB1       TYR  56  17.598  -4.592   1.111
  421    HD1  TYR  56           HD1      TYR  56  14.386  -3.702   0.226
  422    HD2  TYR  56           HD2      TYR  56  18.054  -4.893  -1.569
  423    HE1  TYR  56           HE1      TYR  56  13.709  -2.617  -1.876
  424    HE2  TYR  56           HE2      TYR  56  17.393  -3.810  -3.670
  425    HH   TYR  56           HH       TYR  56  15.349  -3.120  -4.815
  426    H    ASN  57           HN       ASN  57  14.697  -6.767   1.885
  427    HA   ASN  57           HA       ASN  57  13.402  -8.314  -0.252
  428   1HB   ASN  57          HB2       ASN  57  11.707  -8.849   1.570
  429   2HB   ASN  57          HB1       ASN  57  13.315  -9.535   1.781
  430   1HD2  ASN  57          HD21      ASN  57  13.057  -9.744   3.984
  431   2HD2  ASN  57          HD22      ASN  57  13.078  -8.386   5.052
  432    H    THR  58           HN       THR  58  10.963  -7.902  -0.405
  433    HA   THR  58           HA       THR  58  10.614  -5.097  -0.945
  434    HB   THR  58           HB       THR  58   8.526  -7.269  -1.188
  435    HG1  THR  58           HG1      THR  58  10.655  -7.527  -2.380
  436   1HG2  THR  58          HG21      THR  58   7.665  -4.988  -1.327
  437   2HG2  THR  58          HG22      THR  58   7.589  -5.777  -2.903
  438   3HG2  THR  58          HG23      THR  58   8.860  -4.601  -2.567
  439    H    PHE  59           HN       PHE  59  10.526  -4.005   0.986
  440    HA   PHE  59           HA       PHE  59   8.947  -4.869   3.183
  441   1HB   PHE  59          HB2       PHE  59   9.300  -2.179   3.620
  442   2HB   PHE  59          HB1       PHE  59  10.415  -3.446   4.116
  443    HD1  PHE  59           HD1      PHE  59  12.614  -3.312   3.469
  444    HD2  PHE  59           HD2      PHE  59   9.664  -1.260   1.191
  445    HE1  PHE  59           HE1      PHE  59  14.386  -2.302   2.093
  446    HE2  PHE  59           HE2      PHE  59  11.431  -0.247  -0.191
  447    HZ   PHE  59           HZ       PHE  59  13.795  -0.767   0.259
  448    H    CYS  60           HN       CYS  60   8.492  -2.219   0.830
  449    HA   CYS  60           HA       CYS  60   5.814  -1.727   1.776
  450   1HB   CYS  60          HB2       CYS  60   6.917  -0.660  -0.809
  451   2HB   CYS  60          HB1       CYS  60   5.755   0.082   0.285
  452    H    ILE  61           HN       ILE  61   4.406  -3.334   1.396
  453    HA   ILE  61           HA       ILE  61   4.395  -4.649  -1.208
  454    HB   ILE  61           HB       ILE  61   4.237  -6.200   0.564
  455   1HG1  ILE  61          HG12      ILE  61   1.397  -5.813  -0.398
  456   2HG1  ILE  61          HG11      ILE  61   2.674  -6.538  -1.368
  457   1HG2  ILE  61          HG21      ILE  61   3.595  -4.642   2.328
  458   2HG2  ILE  61          HG22      ILE  61   2.584  -6.088   2.348
  459   3HG2  ILE  61          HG23      ILE  61   1.955  -4.581   1.681
  460   1HD1  ILE  61          HD11      ILE  61   1.299  -8.251  -0.383
  461   2HD1  ILE  61          HD12      ILE  61   1.586  -7.595   1.229
  462   3HD1  ILE  61          HD13      ILE  61   2.917  -8.307   0.316
  463    H    TYR  62           HN       TYR  62   3.363  -3.552  -2.727
  464    HA   TYR  62           HA       TYR  62   1.105  -1.830  -2.213
  465   1HB   TYR  62          HB2       TYR  62   2.959  -1.765  -4.110
  466   2HB   TYR  62          HB1       TYR  62   1.751  -2.722  -4.966
  467    HD1  TYR  62           HD1      TYR  62  -0.755  -1.689  -4.653
  468    HD2  TYR  62           HD2      TYR  62   2.884   0.476  -4.432
  469    HE1  TYR  62           HE1      TYR  62  -1.973   0.393  -5.148
  470    HE2  TYR  62           HE2      TYR  62   1.707   2.565  -4.920
  471    HH   TYR  62           HH       TYR  62  -0.279   3.384  -5.807
  472    H    LYS  63           HN       LYS  63  -0.874  -2.595  -1.862
  473    HA   LYS  63           HA       LYS  63  -2.070  -4.278  -3.863
  474   1HB   LYS  63          HB2       LYS  63  -2.862  -5.908  -2.106
  475   2HB   LYS  63          HB1       LYS  63  -1.160  -6.012  -2.530
  476   1HG   LYS  63          HG2       LYS  63  -0.541  -4.845  -0.517
  477   2HG   LYS  63          HG1       LYS  63  -2.240  -4.569  -0.122
  478   1HD   LYS  63          HD2       LYS  63  -2.619  -6.897   0.188
  479   2HD   LYS  63          HD1       LYS  63  -1.032  -7.306  -0.443
  480   1HE   LYS  63          HE2       LYS  63  -0.035  -6.079   1.474
  481   2HE   LYS  63          HE1       LYS  63  -1.662  -5.838   2.104
  482   1HZ   LYS  63          HZ1       LYS  63  -1.916  -8.262   2.195
  483   2HZ   LYS  63          HZ2       LYS  63  -0.646  -7.720   3.171
  484   3HZ   LYS  63          HZ3       LYS  63  -0.313  -8.449   1.682
  485    H    ARG  64           HN       ARG  64  -3.968  -3.401  -4.264
  486    HA   ARG  64           HA       ARG  64  -5.476  -2.252  -2.017
  487   1HB   ARG  64          HB2       ARG  64  -6.389  -0.557  -3.533
  488   2HB   ARG  64          HB1       ARG  64  -4.642  -0.436  -3.405
  489   1HG   ARG  64          HG2       ARG  64  -5.663  -2.085  -5.620
  490   2HG   ARG  64          HG1       ARG  64  -5.981  -0.352  -5.721
  491   1HD   ARG  64          HD2       ARG  64  -3.486  -0.087  -5.143
  492   2HD   ARG  64          HD1       ARG  64  -3.353  -1.783  -5.609
  493    HE   ARG  64           HE       ARG  64  -4.630   0.001  -7.519
  494   1HH1  ARG  64          HH11      ARG  64  -1.752  -1.697  -6.528
  495   2HH1  ARG  64          HH12      ARG  64  -0.994  -1.581  -8.081
  496   1HH2  ARG  64          HH21      ARG  64  -3.639   0.161  -9.563
  497   2HH2  ARG  64          HH22      ARG  64  -2.067  -0.526  -9.807
  498    H    CYS  65           HN       CYS  65  -7.874  -1.785  -3.094
  499    HA   CYS  65           HA       CYS  65  -8.703  -4.389  -4.196
  500   1HB   CYS  65          HB2       CYS  65 -10.360  -2.641  -2.364
  501   2HB   CYS  65          HB1       CYS  65 -10.727  -4.277  -2.902
  502    H    ARG  66           HN       ARG  66  -9.796  -4.296  -6.080
  503    HA   ARG  66           HA       ARG  66  -9.956  -2.042  -7.594
  504   1HB   ARG  66          HB2       ARG  66 -10.354  -4.322  -8.474
  505   2HB   ARG  66          HB1       ARG  66 -11.932  -4.340  -7.696
  506   1HG   ARG  66          HG2       ARG  66 -12.267  -3.855  -9.994
  507   2HG   ARG  66          HG1       ARG  66 -12.548  -2.360  -9.096
  508   1HD   ARG  66          HD2       ARG  66 -11.247  -1.805 -11.012
  509   2HD   ARG  66          HD1       ARG  66 -10.185  -1.716  -9.607
  510    HE   ARG  66           HE       ARG  66 -10.136  -4.250 -10.975
  511   1HH1  ARG  66          HH11      ARG  66  -8.763  -1.056 -10.764
  512   2HH1  ARG  66          HH12      ARG  66  -7.273  -1.507 -11.521
  513   1HH2  ARG  66          HH21      ARG  66  -8.182  -4.851 -11.982
  514   2HH2  ARG  66          HH22      ARG  66  -6.944  -3.664 -12.218
  515    H    HIS  67           HN       HIS  67 -11.413  -0.401  -7.935
  516    HA   HIS  67           HA       HIS  67 -12.822   0.600  -5.786
  517   1HB   HIS  67          HB2       HIS  67 -13.347   1.137  -8.715
  518   2HB   HIS  67          HB1       HIS  67 -13.793   2.173  -7.369
  519    HD1  HIS  67           HD1      HIS  67 -11.001   1.350  -9.622
  520    HD2  HIS  67           HD2      HIS  67 -11.589   3.500  -6.115
  521    HE1  HIS  67           HE1      HIS  67  -8.949   2.780  -9.357
  522    HE2  HIS  67           HE2      HIS  67  -9.315   4.054  -7.214
  523    HA   PRO  68           HA       PRO  68 -16.428  -2.110  -5.482
  524   1HB   PRO  68          HB2       PRO  68 -17.471   0.439  -4.334
  525   2HB   PRO  68          HB1       PRO  68 -17.613  -1.211  -3.721
  526   1HG   PRO  68          HG2       PRO  68 -15.883   0.484  -2.633
  527   2HG   PRO  68          HG1       PRO  68 -15.443  -1.217  -2.882
  528   1HD   PRO  68          HD2       PRO  68 -14.581   1.201  -4.393
  529   2HD   PRO  68          HD1       PRO  68 -13.694  -0.298  -4.057
  530    H    GLY  69           HN       GLY  69 -16.425   1.206  -6.658
  531   1HA   GLY  69          HA2       GLY  69 -17.285   1.635  -8.893
  532   2HA   GLY  69          HA1       GLY  69 -18.561   0.473  -8.555
  533    H    GLU  70           HN       GLU  70 -19.689   2.485  -9.403
  534    HA   GLU  70           HA       GLU  70 -20.091   4.610  -7.470
  535   1HB   GLU  70          HB2       GLU  70 -20.120   5.135  -9.894
  536   2HB   GLU  70          HB1       GLU  70 -21.493   4.057 -10.098
  537   1HG   GLU  70          HG2       GLU  70 -22.881   5.480  -8.752
  538   2HG   GLU  70          HG1       GLU  70 -21.506   6.512  -8.358
  539    H    LEU  71           HN       LEU  71 -21.615   4.805  -6.039
  540    HA   LEU  71           HA       LEU  71 -23.401   2.536  -5.646
  541   1HB   LEU  71          HB2       LEU  71 -21.970   4.074  -3.900
  542   2HB   LEU  71          HB1       LEU  71 -23.539   4.847  -3.811
  543    HG   LEU  71           HG       LEU  71 -22.906   1.965  -3.173
  544   1HD1  LEU  71          HD11      LEU  71 -23.634   2.594  -0.919
  545   2HD1  LEU  71          HD12      LEU  71 -23.838   4.261  -1.458
  546   3HD1  LEU  71          HD13      LEU  71 -22.233   3.528  -1.446
  547   1HD2  LEU  71          HD21      LEU  71 -25.569   3.375  -3.153
  548   2HD2  LEU  71          HD22      LEU  71 -25.259   1.752  -2.535
  549   3HD2  LEU  71          HD23      LEU  71 -25.078   2.091  -4.259
  550    H    ARG  72           HN       ARG  72 -25.050   2.771  -7.162
  551    HA   ARG  72           HA       ARG  72 -26.267   5.279  -7.713
  552   1HB   ARG  72          HB2       ARG  72 -26.520   3.361  -9.274
  553   2HB   ARG  72          HB1       ARG  72 -27.406   2.476  -8.038
  554   1HG   ARG  72          HG2       ARG  72 -29.191   4.136  -8.122
  555   2HG   ARG  72          HG1       ARG  72 -28.304   5.028  -9.361
  556   1HD   ARG  72          HD2       ARG  72 -28.406   3.042 -10.821
  557   2HD   ARG  72          HD1       ARG  72 -29.360   2.212  -9.592
  558    HE   ARG  72           HE       ARG  72 -30.553   4.683 -10.326
  559   1HH1  ARG  72          HH11      ARG  72 -30.095   1.396 -11.389
  560   2HH1  ARG  72          HH12      ARG  72 -31.530   1.372 -12.357
  561   1HH2  ARG  72          HH21      ARG  72 -32.448   4.659 -11.600
  562   2HH2  ARG  72          HH22      ARG  72 -32.867   3.226 -12.478
  563    H    ASN  73           HN       ASN  73 -27.561   6.450  -6.637
  564    HA   ASN  73           HA       ASN  73 -28.813   7.233  -4.900
  565   1HB   ASN  73          HB2       ASN  73 -29.729   4.344  -4.672
  566   2HB   ASN  73          HB1       ASN  73 -30.523   5.738  -3.942
  567   1HD2  ASN  73          HD21      ASN  73 -30.009   7.408  -6.300
  568   2HD2  ASN  73          HD22      ASN  73 -31.150   6.896  -7.492
  569    H    GLY  74           HN       GLY  74 -26.225   6.866  -4.409
  570   1HA   GLY  74          HA2       GLY  74 -26.097   6.408  -1.642
  571   2HA   GLY  74          HA1       GLY  74 -25.423   5.025  -2.485
  572    H    GLN  75           HN       GLN  75 -23.693   6.162  -0.914
  573    HA   GLN  75           HA       GLN  75 -21.853   7.491  -2.737
  574   1HB   GLN  75          HB2       GLN  75 -23.048   9.332  -1.599
  575   2HB   GLN  75          HB1       GLN  75 -22.540   8.686  -0.045
  576   1HG   GLN  75          HG2       GLN  75 -20.233   9.121  -0.559
  577   2HG   GLN  75          HG1       GLN  75 -20.657   9.627  -2.195
  578   1HE2  GLN  75          HE21      GLN  75 -19.271  11.093  -0.086
  579   2HE2  GLN  75          HE22      GLN  75 -20.192  12.529   0.184
  580    H    VAL  76           HN       VAL  76 -20.856   5.382  -2.554
  581    HA   VAL  76           HA       VAL  76 -19.999   4.123  -0.302
  582    HB   VAL  76           HB       VAL  76 -19.514   2.840  -2.082
  583   1HG1  VAL  76          HG11      VAL  76 -20.007   4.584  -3.707
  584   2HG1  VAL  76          HG12      VAL  76 -18.633   3.594  -4.196
  585   3HG1  VAL  76          HG13      VAL  76 -18.367   5.209  -3.534
  586   1HG2  VAL  76          HG21      VAL  76 -17.091   2.694  -2.488
  587   2HG2  VAL  76          HG22      VAL  76 -17.485   2.845  -0.777
  588   3HG2  VAL  76          HG23      VAL  76 -16.880   4.241  -1.668
  589    H    GLU  77           HN       GLU  77 -18.698   4.720   1.360
  590    HA   GLU  77           HA       GLU  77 -17.264   7.163   1.360
  591   1HB   GLU  77          HB2       GLU  77 -18.140   6.222   3.427
  592   2HB   GLU  77          HB1       GLU  77 -17.097   4.817   3.256
  593   1HG   GLU  77          HG2       GLU  77 -16.137   6.287   4.874
  594   2HG   GLU  77          HG1       GLU  77 -15.132   6.313   3.428
  595    H    ILE  78           HN       ILE  78 -15.608   7.386  -0.046
  596    HA   ILE  78           HA       ILE  78 -13.419   5.416   0.120
  597    HB   ILE  78           HB       ILE  78 -14.484   6.826  -2.317
  598   1HG1  ILE  78          HG12      ILE  78 -15.478   4.651  -1.710
  599   2HG1  ILE  78          HG11      ILE  78 -14.611   4.577  -3.240
  600   1HG2  ILE  78          HG21      ILE  78 -12.549   5.957  -3.558
  601   2HG2  ILE  78          HG22      ILE  78 -11.834   5.420  -2.038
  602   3HG2  ILE  78          HG23      ILE  78 -12.084   7.141  -2.336
  603   1HD1  ILE  78          HD11      ILE  78 -13.499   3.647  -0.605
  604   2HD1  ILE  78          HD12      ILE  78 -12.765   3.455  -2.197
  605   3HD1  ILE  78          HD13      ILE  78 -14.259   2.603  -1.807
  606    H    LYS  79           HN       LYS  79 -11.343   6.220   0.240
  607    HA   LYS  79           HA       LYS  79 -10.665   8.923  -0.267
  608   1HB   LYS  79          HB2       LYS  79 -10.272   9.680   2.020
  609   2HB   LYS  79          HB1       LYS  79 -11.969   9.303   1.776
  610   1HG   LYS  79          HG2       LYS  79  -9.990   7.459   3.098
  611   2HG   LYS  79          HG1       LYS  79 -11.063   8.561   3.960
  612   1HD   LYS  79          HD2       LYS  79 -12.999   7.416   2.894
  613   2HD   LYS  79          HD1       LYS  79 -11.869   6.248   2.199
  614   1HE   LYS  79          HE2       LYS  79 -11.126   5.669   4.485
  615   2HE   LYS  79          HE1       LYS  79 -12.344   6.766   5.132
  616   1HZ   LYS  79          HZ1       LYS  79 -12.930   4.411   3.422
  617   2HZ   LYS  79          HZ2       LYS  79 -14.064   5.421   4.164
  618   3HZ   LYS  79          HZ3       LYS  79 -13.068   4.436   5.108
  619    H    THR  80           HN       THR  80  -9.898   6.035   1.617
  620    HA   THR  80           HA       THR  80  -7.091   6.592   1.685
  621    HB   THR  80           HB       THR  80  -6.858   4.494   2.814
  622    HG1  THR  80           HG1      THR  80  -8.380   2.919   2.728
  623   1HG2  THR  80          HG21      THR  80  -7.680   5.924   4.404
  624   2HG2  THR  80          HG22      THR  80  -8.969   4.719   4.412
  625   3HG2  THR  80          HG23      THR  80  -9.174   6.227   3.515
  626    H    ASP  81           HN       ASP  81  -8.647   6.131  -0.964
  627    HA   ASP  81           HA       ASP  81  -8.153   5.283  -3.036
  628   1HB   ASP  81          HB2       ASP  81  -5.499   4.817  -1.702
  629   2HB   ASP  81          HB1       ASP  81  -5.793   4.581  -3.423
  630    H    LEU  82           HN       LEU  82  -8.647   3.487  -0.486
  631    HA   LEU  82           HA       LEU  82  -9.213   1.320  -0.113
  632   1HB   LEU  82          HB2       LEU  82  -8.779   1.039  -3.072
  633   2HB   LEU  82          HB1       LEU  82  -9.634  -0.101  -2.049
  634    HG   LEU  82           HG       LEU  82 -10.967   2.252  -1.571
  635   1HD1  LEU  82          HD11      LEU  82 -11.480   3.144  -3.824
  636   2HD1  LEU  82          HD12      LEU  82 -10.159   2.170  -4.473
  637   3HD1  LEU  82          HD13      LEU  82  -9.822   3.451  -3.307
  638   1HD2  LEU  82          HD21      LEU  82 -11.485   0.037  -3.520
  639   2HD2  LEU  82          HD22      LEU  82 -12.684   1.253  -3.076
  640   3HD2  LEU  82          HD23      LEU  82 -12.032   0.163  -1.849
  641    H    SER  83           HN       SER  83  -6.799   1.813   0.672
  642    HA   SER  83           HA       SER  83  -4.966  -0.126  -0.515
  643   1HB   SER  83          HB2       SER  83  -3.291   0.822   1.064
  644   2HB   SER  83          HB1       SER  83  -3.998   2.042   0.004
  645    HG   SER  83           HG       SER  83  -4.853   1.506   2.660
  646    H    PHE  84           HN       PHE  84  -4.590  -2.073   0.335
  647    HA   PHE  84           HA       PHE  84  -6.140  -3.507   1.920
  648   1HB   PHE  84          HB2       PHE  84  -4.258  -4.588   0.966
  649   2HB   PHE  84          HB1       PHE  84  -3.129  -3.573   1.859
  650    HD1  PHE  84           HD1      PHE  84  -5.777  -6.135   2.356
  651    HD2  PHE  84           HD2      PHE  84  -2.239  -4.316   3.866
  652    HE1  PHE  84           HE1      PHE  84  -5.677  -7.823   4.142
  653    HE2  PHE  84           HE2      PHE  84  -2.130  -6.003   5.654
  654    HZ   PHE  84           HZ       PHE  84  -3.850  -7.761   5.793
  655    H    GLY  85           HN       GLY  85  -6.697  -3.815   3.999
  656   1HA   GLY  85          HA2       GLY  85  -6.576  -3.649   6.315
  657   2HA   GLY  85          HA1       GLY  85  -5.151  -2.636   6.147
  658    H    SER  86           HN       SER  86  -8.328  -2.153   4.634
  659    HA   SER  86           HA       SER  86  -8.829   0.062   6.455
  660   1HB   SER  86          HB2       SER  86  -8.723   0.423   3.459
  661   2HB   SER  86          HB1       SER  86  -9.292   1.632   4.612
  662    HG   SER  86           HG       SER  86  -7.002   1.034   5.548
  663    H    GLN  87           HN       GLN  87 -10.883   0.933   6.385
  664    HA   GLN  87           HA       GLN  87 -12.921  -0.919   5.338
  665   1HB   GLN  87          HB2       GLN  87 -12.861  -1.084   7.751
  666   2HB   GLN  87          HB1       GLN  87 -12.928   0.664   7.916
  667   1HG   GLN  87          HG2       GLN  87 -15.135  -0.951   6.671
  668   2HG   GLN  87          HG1       GLN  87 -15.061  -0.572   8.391
  669   1HE2  GLN  87          HE21      GLN  87 -13.811   2.034   7.806
  670   2HE2  GLN  87          HE22      GLN  87 -15.092   3.053   7.265
  671    H    ILE  88           HN       ILE  88 -14.544  -0.044   4.140
  672    HA   ILE  88           HA       ILE  88 -14.666   2.892   3.967
  673    HB   ILE  88           HB       ILE  88 -15.213   2.657   1.547
  674   1HG1  ILE  88          HG12      ILE  88 -13.969  -0.068   1.620
  675   2HG1  ILE  88          HG11      ILE  88 -15.700   0.108   1.897
  676   1HG2  ILE  88          HG21      ILE  88 -12.938   2.495   0.821
  677   2HG2  ILE  88          HG22      ILE  88 -12.494   1.579   2.260
  678   3HG2  ILE  88          HG23      ILE  88 -12.963   3.273   2.404
  679   1HD1  ILE  88          HD11      ILE  88 -15.895   1.258  -0.275
  680   2HD1  ILE  88          HD12      ILE  88 -15.299  -0.397  -0.414
  681   3HD1  ILE  88          HD13      ILE  88 -14.178   0.960  -0.554
  682    H    GLU  89           HN       GLU  89 -16.513   3.410   4.904
  683    HA   GLU  89           HA       GLU  89 -18.796   1.737   4.996
  684   1HB   GLU  89          HB2       GLU  89 -18.980   4.709   5.339
  685   2HB   GLU  89          HB1       GLU  89 -19.823   3.437   6.212
  686   1HG   GLU  89          HG2       GLU  89 -17.786   2.860   7.389
  687   2HG   GLU  89          HG1       GLU  89 -16.900   4.076   6.469
  688    H    PHE  90           HN       PHE  90 -20.949   3.229   4.413
  689    HA   PHE  90           HA       PHE  90 -20.727   4.198   1.682
  690   1HB   PHE  90          HB2       PHE  90 -22.592   1.942   2.468
  691   2HB   PHE  90          HB1       PHE  90 -22.609   2.776   0.918
  692    HD1  PHE  90           HD1      PHE  90 -20.916   0.302   2.985
  693    HD2  PHE  90           HD2      PHE  90 -20.798   2.455  -0.693
  694    HE1  PHE  90           HE1      PHE  90 -19.257  -1.289   2.103
  695    HE2  PHE  90           HE2      PHE  90 -19.143   0.872  -1.576
  696    HZ   PHE  90           HZ       PHE  90 -18.370  -1.008  -0.178
  697    H    SER  91           HN       SER  91 -23.206   4.824   1.015
  698    HA   SER  91           HA       SER  91 -24.734   5.733   3.279
  699   1HB   SER  91          HB2       SER  91 -23.376   7.787   1.529
  700   2HB   SER  91          HB1       SER  91 -24.574   8.128   2.776
  701    HG   SER  91           HG       SER  91 -21.905   7.343   3.029
  702    H    CYS  92           HN       CYS  92 -26.690   5.204   2.654
  703    HA   CYS  92           HA       CYS  92 -27.444   5.458  -0.145
  704   1HB   CYS  92          HB2       CYS  92 -28.900   4.314   2.246
  705   2HB   CYS  92          HB1       CYS  92 -29.638   4.468   0.655
  706    H    SER  93           HN       SER  93 -28.257   7.283  -0.908
  707    HA   SER  93           HA       SER  93 -28.670   9.599   0.487
  708   1HB   SER  93          HB2       SER  93 -29.930   8.668  -2.089
  709   2HB   SER  93          HB1       SER  93 -30.124  10.307  -1.463
  710    HG   SER  93           HG       SER  93 -28.360  10.538  -2.651
  711    H    GLU  94           HN       GLU  94 -30.703  10.862   0.686
  712    HA   GLU  94           HA       GLU  94 -32.377   9.949   2.616
  713   1HB   GLU  94          HB2       GLU  94 -32.447  12.246   2.118
  714   2HB   GLU  94          HB1       GLU  94 -32.803  11.958   0.422
  715   1HG   GLU  94          HG2       GLU  94 -34.746  12.825   1.530
  716   2HG   GLU  94          HG1       GLU  94 -35.032  11.157   1.039
  717    H    GLY  95           HN       GLY  95 -34.496   9.119   2.694
  718   1HA   GLY  95          HA2       GLY  95 -36.301   7.859   2.016
  719   2HA   GLY  95          HA1       GLY  95 -35.848   8.191   0.352
  720    H    PHE  96           HN       PHE  96 -33.104   7.073   0.759
  721    HA   PHE  96           HA       PHE  96 -33.909   4.238   0.658
  722   1HB   PHE  96          HB2       PHE  96 -31.412   5.325  -0.628
  723   2HB   PHE  96          HB1       PHE  96 -32.272   3.833  -0.985
  724    HD1  PHE  96           HD1      PHE  96 -31.784   7.235  -1.890
  725    HD2  PHE  96           HD2      PHE  96 -34.575   4.028  -2.072
  726    HE1  PHE  96           HE1      PHE  96 -32.939   8.351  -3.754
  727    HE2  PHE  96           HE2      PHE  96 -35.736   5.140  -3.936
  728    HZ   PHE  96           HZ       PHE  96 -34.917   7.303  -4.780
  729    H    PHE  97           HN       PHE  97 -32.832   2.806   1.942
  730    HA   PHE  97           HA       PHE  97 -30.762   3.956   3.686
  731   1HB   PHE  97          HB2       PHE  97 -31.420   2.420   5.410
  732   2HB   PHE  97          HB1       PHE  97 -32.860   3.234   4.819
  733    HD1  PHE  97           HD1      PHE  97 -34.117   1.934   2.876
  734    HD2  PHE  97           HD2      PHE  97 -31.512   0.161   5.737
  735    HE1  PHE  97           HE1      PHE  97 -35.214  -0.240   2.522
  736    HE2  PHE  97           HE2      PHE  97 -32.604  -2.016   5.388
  737    HZ   PHE  97           HZ       PHE  97 -34.458  -2.218   3.779
  738    H    LEU  98           HN       LEU  98 -29.263   2.327   4.611
  739    HA   LEU  98           HA       LEU  98 -27.963   0.969   2.409
  740   1HB   LEU  98          HB2       LEU  98 -26.850   2.436   4.184
  741   2HB   LEU  98          HB1       LEU  98 -27.058   1.087   5.280
  742    HG   LEU  98           HG       LEU  98 -24.784   1.245   4.307
  743   1HD1  LEU  98          HD11      LEU  98 -25.711  -0.897   5.105
  744   2HD1  LEU  98          HD12      LEU  98 -24.538  -1.094   3.802
  745   3HD1  LEU  98          HD13      LEU  98 -26.262  -1.237   3.466
  746   1HD2  LEU  98          HD21      LEU  98 -26.148   0.549   1.716
  747   2HD2  LEU  98          HD22      LEU  98 -24.408   0.655   1.990
  748   3HD2  LEU  98          HD23      LEU  98 -25.409   2.103   2.106
  749    H    ILE  99           HN       ILE  99 -27.775  -1.177   2.138
  750    HA   ILE  99           HA       ILE  99 -28.382  -3.085   4.248
  751    HB   ILE  99           HB       ILE  99 -29.770  -3.797   1.780
  752   1HG1  ILE  99          HG12      ILE  99 -31.094  -1.659   3.415
  753   2HG1  ILE  99          HG11      ILE  99 -30.100  -1.253   2.022
  754   1HG2  ILE  99          HG21      ILE  99 -29.978  -5.100   3.785
  755   2HG2  ILE  99          HG22      ILE  99 -31.548  -4.403   3.384
  756   3HG2  ILE  99          HG23      ILE  99 -30.575  -3.701   4.679
  757   1HD1  ILE  99          HD11      ILE  99 -31.558  -2.650   0.615
  758   2HD1  ILE  99          HD12      ILE  99 -32.410  -1.309   1.382
  759   3HD1  ILE  99          HD13      ILE  99 -32.585  -2.944   2.019
  760    H    GLY 100           HN       GLY 100 -26.864  -4.497   4.131
  761   1HA   GLY 100          HA2       GLY 100 -26.101  -6.313   2.382
  762   2HA   GLY 100          HA1       GLY 100 -25.344  -4.884   1.673
  763    H    SER 101           HN       SER 101 -24.442  -3.488   3.629
  764    HA   SER 101           HA       SER 101 -23.236  -4.425   5.863
  765   1HB   SER 101          HB2       SER 101 -22.114  -6.159   4.504
  766   2HB   SER 101          HB1       SER 101 -21.430  -4.906   3.469
  767    HG   SER 101           HG       SER 101 -20.772  -4.230   5.898
  768    H    THR 102           HN       THR 102 -23.214  -2.344   6.609
  769    HA   THR 102           HA       THR 102 -22.742  -0.123   4.939
  770    HB   THR 102           HB       THR 102 -22.913   1.243   6.869
  771    HG1  THR 102           HG1      THR 102 -22.892  -0.443   8.916
  772   1HG2  THR 102          HG21      THR 102 -24.876   0.392   8.036
  773   2HG2  THR 102          HG22      THR 102 -24.549  -1.234   7.436
  774   3HG2  THR 102          HG23      THR 102 -24.995   0.049   6.310
  775    H    THR 103           HN       THR 103 -20.650  -2.366   6.238
  776    HA   THR 103           HA       THR 103 -18.412  -0.482   6.003
  777    HB   THR 103           HB       THR 103 -17.154  -2.105   7.422
  778    HG1  THR 103           HG1      THR 103 -18.326  -3.962   7.371
  779   1HG2  THR 103          HG21      THR 103 -17.989  -0.065   8.378
  780   2HG2  THR 103          HG22      THR 103 -18.229  -1.373   9.540
  781   3HG2  THR 103          HG23      THR 103 -19.590  -0.776   8.586
  782    H    SER 104           HN       SER 104 -16.481  -1.289   5.007
  783    HA   SER 104           HA       SER 104 -16.672  -3.822   3.599
  784   1HB   SER 104          HB2       SER 104 -17.565  -2.166   2.000
  785   2HB   SER 104          HB1       SER 104 -16.124  -1.176   2.222
  786    HG   SER 104           HG       SER 104 -16.243  -2.712   0.352
  787    H    ARG 105           HN       ARG 105 -14.886  -4.824   4.244
  788    HA   ARG 105           HA       ARG 105 -12.481  -3.238   4.856
  789   1HB   ARG 105          HB2       ARG 105 -13.103  -6.089   5.643
  790   2HB   ARG 105          HB1       ARG 105 -11.764  -5.106   6.219
  791   1HG   ARG 105          HG2       ARG 105 -13.310  -3.603   7.328
  792   2HG   ARG 105          HG1       ARG 105 -14.679  -4.521   6.699
  793   1HD   ARG 105          HD2       ARG 105 -14.177  -5.090   9.034
  794   2HD   ARG 105          HD1       ARG 105 -13.994  -6.472   7.953
  795    HE   ARG 105           HE       ARG 105 -11.547  -5.039   8.425
  796   1HH1  ARG 105          HH11      ARG 105 -13.675  -7.537   9.597
  797   2HH1  ARG 105          HH12      ARG 105 -12.429  -8.372  10.463
  798   1HH2  ARG 105          HH21      ARG 105  -9.901  -6.128   9.568
  799   2HH2  ARG 105          HH22      ARG 105 -10.285  -7.570  10.448
  800    H    CYS 106           HN       CYS 106 -10.465  -3.815   4.097
  801    HA   CYS 106           HA       CYS 106 -10.501  -5.330   1.594
  802   1HB   CYS 106          HB2       CYS 106  -8.956  -3.022   2.609
  803   2HB   CYS 106          HB1       CYS 106  -8.059  -4.174   1.624
  804    H    GLU 107           HN       GLU 107  -9.798  -7.319   1.633
  805    HA   GLU 107           HA       GLU 107  -7.795  -8.083   3.648
  806   1HB   GLU 107          HB2       GLU 107 -10.178  -9.026   3.788
  807   2HB   GLU 107          HB1       GLU 107  -9.760  -9.967   2.359
  808   1HG   GLU 107          HG2       GLU 107  -8.018 -11.104   3.533
  809   2HG   GLU 107          HG1       GLU 107  -8.212 -10.051   4.935
  810    H    VAL 108           HN       VAL 108  -6.714 -10.278   2.836
  811    HA   VAL 108           HA       VAL 108  -6.160 -10.031  -0.030
  812    HB   VAL 108           HB       VAL 108  -4.085  -9.899   2.133
  813   1HG1  VAL 108          HG11      VAL 108  -3.485 -11.575   0.336
  814   2HG1  VAL 108          HG12      VAL 108  -2.363 -10.227   0.523
  815   3HG1  VAL 108          HG13      VAL 108  -3.519 -10.231  -0.810
  816   1HG2  VAL 108          HG21      VAL 108  -5.305  -7.866   1.141
  817   2HG2  VAL 108          HG22      VAL 108  -4.346  -8.186  -0.307
  818   3HG2  VAL 108          HG23      VAL 108  -3.543  -7.826   1.224
  819    H    GLN 109           HN       GLN 109  -6.048 -11.779  -1.082
  820    HA   GLN 109           HA       GLN 109  -5.527 -14.328   0.300
  821   1HB   GLN 109          HB2       GLN 109  -7.194 -13.850  -2.183
  822   2HB   GLN 109          HB1       GLN 109  -6.973 -15.391  -1.361
  823   1HG   GLN 109          HG2       GLN 109  -8.303 -14.779   0.427
  824   2HG   GLN 109          HG1       GLN 109  -8.104 -13.056   0.116
  825   1HE2  GLN 109          HE21      GLN 109 -10.313 -12.692   0.171
  826   2HE2  GLN 109          HE22      GLN 109 -11.364 -13.185  -1.108
  827    H    ASP 110           HN       ASP 110  -3.429 -14.744  -0.093
  828    HA   ASP 110           HA       ASP 110  -1.505 -15.223  -1.208
  829   1HB   ASP 110          HB2       ASP 110  -3.465 -15.377  -3.491
  830   2HB   ASP 110          HB1       ASP 110  -1.747 -15.696  -3.710
  831    H    ARG 111           HN       ARG 111  -0.838 -14.328  -3.926
  832    HA   ARG 111           HA       ARG 111  -0.103 -11.641  -3.265
  833   1HB   ARG 111          HB2       ARG 111   0.951 -11.714  -5.587
  834   2HB   ARG 111          HB1       ARG 111   1.568 -12.852  -4.397
  835   1HG   ARG 111          HG2       ARG 111   1.368 -14.173  -6.266
  836   2HG   ARG 111          HG1       ARG 111  -0.159 -14.481  -5.437
  837   1HD   ARG 111          HD2       ARG 111  -0.537 -14.130  -7.810
  838   2HD   ARG 111          HD1       ARG 111  -1.264 -12.829  -6.868
  839    HE   ARG 111           HE       ARG 111   1.277 -11.984  -7.584
  840   1HH1  ARG 111          HH11      ARG 111  -1.697 -12.866  -9.170
  841   2HH1  ARG 111          HH12      ARG 111  -1.431 -11.827 -10.529
  842   1HH2  ARG 111          HH21      ARG 111   1.637 -10.614  -9.368
  843   2HH2  ARG 111          HH22      ARG 111   0.466 -10.547 -10.643
  844    H    GLY 112           HN       GLY 112  -2.949 -12.242  -3.628
  845   1HA   GLY 112          HA2       GLY 112  -3.519 -10.048  -5.464
  846   2HA   GLY 112          HA1       GLY 112  -4.320 -11.582  -5.768
  847    H    VAL 113           HN       VAL 113  -3.977  -8.902  -3.614
  848    HA   VAL 113           HA       VAL 113  -5.507  -9.440  -1.465
  849    HB   VAL 113           HB       VAL 113  -4.905  -7.310  -1.225
  850   1HG1  VAL 113          HG11      VAL 113  -5.251  -6.760  -4.159
  851   2HG1  VAL 113          HG12      VAL 113  -3.781  -7.433  -3.437
  852   3HG1  VAL 113          HG13      VAL 113  -4.332  -5.817  -2.981
  853   1HG2  VAL 113          HG21      VAL 113  -6.565  -5.641  -1.684
  854   2HG2  VAL 113          HG22      VAL 113  -7.348  -7.135  -1.168
  855   3HG2  VAL 113          HG23      VAL 113  -7.337  -6.688  -2.875
  856    H    GLY 114           HN       GLY 114  -7.661  -9.445  -0.851
  857   1HA   GLY 114          HA2       GLY 114  -9.495  -9.763  -3.132
  858   2HA   GLY 114          HA1       GLY 114  -9.582 -10.726  -1.666
  859    H    TRP 115           HN       TRP 115 -11.566  -8.949  -2.978
  860    HA   TRP 115           HA       TRP 115 -11.958  -6.836  -1.033
  861   1HB   TRP 115          HB2       TRP 115 -12.645  -7.174  -3.731
  862   2HB   TRP 115          HB1       TRP 115 -14.171  -7.245  -2.861
  863    HD1  TRP 115           HD1      TRP 115 -13.293  -4.858  -4.846
  864    HE1  TRP 115           HE1      TRP 115 -13.313  -2.444  -3.955
  865    HE3  TRP 115           HE3      TRP 115 -13.032  -5.817   0.180
  866    HZ2  TRP 115           HZ2      TRP 115 -13.228  -1.122  -1.484
  867    HZ3  TRP 115           HZ3      TRP 115 -13.006  -3.909   1.731
  868    HH2  TRP 115           HH2      TRP 115 -13.101  -1.613   0.918
  869    H    SER 116           HN       SER 116 -12.855  -7.399   0.866
  870    HA   SER 116           HA       SER 116 -14.202  -9.773   1.397
  871   1HB   SER 116          HB2       SER 116 -13.236  -8.384   3.166
  872   2HB   SER 116          HB1       SER 116 -14.429  -7.123   2.851
  873    HG   SER 116           HG       SER 116 -15.649  -9.487   3.259
  874    H    HIS 117           HN       HIS 117 -15.480  -6.599   0.482
  875    HA   HIS 117           HA       HIS 117 -17.844  -7.729  -0.636
  876   1HB   HIS 117          HB2       HIS 117 -18.395  -7.807   1.802
  877   2HB   HIS 117          HB1       HIS 117 -18.223  -6.056   1.856
  878    HD1  HIS 117           HD1      HIS 117 -20.146  -4.650   0.953
  879    HD2  HIS 117           HD2      HIS 117 -20.708  -8.736   0.450
  880    HE1  HIS 117           HE1      HIS 117 -22.547  -4.917   0.254
  881    HE2  HIS 117           HE2      HIS 117 -22.865  -7.398  -0.051
  882    HA   PRO 118           HA       PRO 118 -17.427  -3.707  -2.547
  883   1HB   PRO 118          HB2       PRO 118 -18.907  -4.129  -4.676
  884   2HB   PRO 118          HB1       PRO 118 -17.486  -5.152  -4.406
  885   1HG   PRO 118          HG2       PRO 118 -20.377  -5.728  -3.860
  886   2HG   PRO 118          HG1       PRO 118 -19.157  -6.781  -4.605
  887   1HD   PRO 118          HD2       PRO 118 -19.905  -6.824  -1.914
  888   2HD   PRO 118          HD1       PRO 118 -18.403  -7.505  -2.570
  889    H    LEU 119           HN       LEU 119 -19.814  -3.004  -4.185
  890    HA   LEU 119           HA       LEU 119 -21.056  -1.235  -2.433
  891   1HB   LEU 119          HB2       LEU 119 -21.845  -2.271  -5.142
  892   2HB   LEU 119          HB1       LEU 119 -22.723  -1.017  -4.307
  893    HG   LEU 119           HG       LEU 119 -19.988  -0.895  -5.510
  894   1HD1  LEU 119          HD11      LEU 119 -22.387   0.919  -5.602
  895   2HD1  LEU 119          HD12      LEU 119 -21.893  -0.219  -6.855
  896   3HD1  LEU 119          HD13      LEU 119 -20.869   1.163  -6.465
  897   1HD2  LEU 119          HD21      LEU 119 -19.518   1.142  -4.334
  898   2HD2  LEU 119          HD22      LEU 119 -19.823  -0.135  -3.151
  899   3HD2  LEU 119          HD23      LEU 119 -21.070   1.067  -3.501
  900    HA   PRO 120           HA       PRO 120 -24.186  -3.815  -0.625
  901   1HB   PRO 120          HB2       PRO 120 -25.418  -1.512   0.543
  902   2HB   PRO 120          HB1       PRO 120 -24.293  -2.637   1.304
  903   1HG   PRO 120          HG2       PRO 120 -23.737   0.012   0.762
  904   2HG   PRO 120          HG1       PRO 120 -22.515  -1.250   0.990
  905   1HD   PRO 120          HD2       PRO 120 -23.603  -0.103  -1.552
  906   2HD   PRO 120          HD1       PRO 120 -21.930  -0.545  -1.140
  907    H    GLN 121           HN       GLN 121 -26.674  -2.141   0.001
  908    HA   GLN 121           HA       GLN 121 -27.850  -1.990  -2.685
  909   1HB   GLN 121          HB2       GLN 121 -28.320  -4.234  -1.673
  910   2HB   GLN 121          HB1       GLN 121 -29.169  -3.415  -0.371
  911   1HG   GLN 121          HG2       GLN 121 -30.668  -2.411  -2.115
  912   2HG   GLN 121          HG1       GLN 121 -29.912  -3.498  -3.280
  913   1HE2  GLN 121          HE21      GLN 121 -29.606  -5.624  -1.284
  914   2HE2  GLN 121          HE22      GLN 121 -31.180  -6.306  -1.078
  915    H    CYS 122           HN       CYS 122 -28.777  -0.035  -2.930
  916    HA   CYS 122           HA       CYS 122 -29.784   1.300  -0.513
  917   1HB   CYS 122          HB2       CYS 122 -28.860   2.387  -3.170
  918   2HB   CYS 122          HB1       CYS 122 -29.772   3.361  -2.022
  919    H    GLU 123           HN       GLU 123 -31.873   0.836  -0.221
  920    HA   GLU 123           HA       GLU 123 -33.684   1.067  -2.540
  921   1HB   GLU 123          HB2       GLU 123 -33.355  -1.305  -1.828
  922   2HB   GLU 123          HB1       GLU 123 -33.967  -0.872  -0.238
  923   1HG   GLU 123          HG2       GLU 123 -35.708  -1.911  -1.529
  924   2HG   GLU 123          HG1       GLU 123 -36.102  -0.215  -1.256
  925    H    ILE 124           HN       ILE 124 -35.691   1.906  -2.181
  926    HA   ILE 124           HA       ILE 124 -35.799   4.042  -0.346
  927    HB   ILE 124           HB       ILE 124 -37.006   4.008  -2.505
  928   1HG1  ILE 124          HG12      ILE 124 -39.214   4.891  -1.580
  929   2HG1  ILE 124          HG11      ILE 124 -38.603   4.460   0.014
  930   1HG2  ILE 124          HG21      ILE 124 -37.763   1.717  -2.524
  931   2HG2  ILE 124          HG22      ILE 124 -39.151   2.799  -2.658
  932   3HG2  ILE 124          HG23      ILE 124 -38.790   2.012  -1.121
  933   1HD1  ILE 124          HD11      ILE 124 -38.218   6.787  -0.372
  934   2HD1  ILE 124          HD12      ILE 124 -37.409   6.444  -1.902
  935   3HD1  ILE 124          HD13      ILE 124 -36.666   5.947  -0.381
  936    H    LEU 125           HN       LEU 125 -37.169   4.364   1.443
  937    HA   LEU 125           HA       LEU 125 -37.403   2.106   3.169
  938   1HB   LEU 125          HB2       LEU 125 -38.452   4.918   3.489
  939   2HB   LEU 125          HB1       LEU 125 -38.378   3.714   4.761
  940    HG   LEU 125           HG       LEU 125 -35.970   4.843   3.328
  941   1HD1  LEU 125          HD11      LEU 125 -37.071   6.564   4.644
  942   2HD1  LEU 125          HD12      LEU 125 -35.557   6.073   5.405
  943   3HD1  LEU 125          HD13      LEU 125 -37.095   5.497   6.048
  944   1HD2  LEU 125          HD21      LEU 125 -36.194   3.113   5.786
  945   2HD2  LEU 125          HD22      LEU 125 -34.703   3.781   5.123
  946   3HD2  LEU 125          HD23      LEU 125 -35.624   2.593   4.201
  947    H    GLU 126           HN       GLU 126 -39.781   4.273   1.642
  948    HA   GLU 126           HA       GLU 126 -41.771   2.119   1.893
  949   1HB   GLU 126          HB2       GLU 126 -43.497   3.918   2.204
  950   2HB   GLU 126          HB1       GLU 126 -42.377   3.735   3.546
  951   1HG   GLU 126          HG2       GLU 126 -41.100   5.655   2.746
  952   2HG   GLU 126          HG1       GLU 126 -42.227   5.843   1.402
  953    H    HIS 127           HN       HIS 127 -43.854   3.384   0.553
  954    HA   HIS 127           HA       HIS 127 -42.952   3.111  -2.172
  955   1HB   HIS 127          HB2       HIS 127 -45.700   3.737  -1.070
  956   2HB   HIS 127          HB1       HIS 127 -45.338   3.329  -2.744
  957    HD1  HIS 127           HD1      HIS 127 -45.340   0.904  -3.339
  958    HD2  HIS 127           HD2      HIS 127 -45.210   1.524   0.769
  959    HE1  HIS 127           HE1      HIS 127 -45.608  -1.373  -2.305
  960    HE2  HIS 127           HE2      HIS 127 -45.429  -0.984   0.177
  961    H    HIS 128           HN       HIS 128 -42.384   4.706  -3.491
  962    HA   HIS 128           HA       HIS 128 -43.496   7.378  -3.130
  963   1HB   HIS 128          HB2       HIS 128 -41.461   7.434  -1.789
  964   2HB   HIS 128          HB1       HIS 128 -40.523   6.811  -3.142
  965    HD1  HIS 128           HD1      HIS 128 -39.362   8.533  -4.477
  966    HD2  HIS 128           HD2      HIS 128 -42.660  10.091  -2.487
  967    HE1  HIS 128           HE1      HIS 128 -39.337  11.000  -4.964
  968    HE2  HIS 128           HE2      HIS 128 -41.387  11.908  -3.815
  969    H    HIS 129           HN       HIS 129 -42.072   4.927  -5.061
  970    HA   HIS 129           HA       HIS 129 -41.841   4.633  -7.302
  971   1HB   HIS 129          HB2       HIS 129 -43.910   6.835  -7.331
  972   2HB   HIS 129          HB1       HIS 129 -43.394   5.966  -8.772
  973    HD1  HIS 129           HD1      HIS 129 -44.298   3.605  -9.118
  974    HD2  HIS 129           HD2      HIS 129 -45.486   5.323  -5.527
  975    HE1  HIS 129           HE1      HIS 129 -46.098   2.100  -8.218
  976    HE2  HIS 129           HE2      HIS 129 -46.748   3.117  -6.006
  977    H    HIS 130           HN       HIS 130 -40.337   6.837  -5.771
  978    HA   HIS 130           HA       HIS 130 -38.680   8.332  -6.193
  979   1HB   HIS 130          HB2       HIS 130 -38.812   7.071  -8.938
  980   2HB   HIS 130          HB1       HIS 130 -37.540   8.166  -8.407
  981    HD1  HIS 130           HD1      HIS 130 -38.968   4.760  -7.571
  982    HD2  HIS 130           HD2      HIS 130 -35.488   6.972  -7.054
  983    HE1  HIS 130           HE1      HIS 130 -37.299   3.164  -6.574
  984    HE2  HIS 130           HE2      HIS 130 -35.188   4.513  -6.307
  985    H    HIS 131           HN       HIS 131 -38.006  10.140  -7.886
  986    HA   HIS 131           HA       HIS 131 -40.358  11.807  -8.163
  987   1HB   HIS 131          HB2       HIS 131 -38.290  12.746  -7.224
  988   2HB   HIS 131          HB1       HIS 131 -37.445  12.403  -8.730
  989    HD1  HIS 131           HD1      HIS 131 -37.323  14.305 -10.297
  990    HD2  HIS 131           HD2      HIS 131 -40.562  14.636  -7.715
  991    HE1  HIS 131           HE1      HIS 131 -38.379  16.525 -10.826
  992    HE2  HIS 131           HE2      HIS 131 -40.290  16.739  -9.196
  993    H    HIS 132           HN       HIS 132 -41.153  12.667 -10.064
  994    HA   HIS 132           HA       HIS 132 -40.157  11.410 -12.534
  995   1HB   HIS 132          HB2       HIS 132 -42.488  11.581 -13.392
  996   2HB   HIS 132          HB1       HIS 132 -42.335  10.519 -11.997
  997    HD1  HIS 132           HD1      HIS 132 -44.441  13.070 -13.271
  998    HD2  HIS 132           HD2      HIS 132 -43.032  12.083  -9.489
  999    HE1  HIS 132           HE1      HIS 132 -46.015  14.182 -11.657
 1000    HE2  HIS 132           HE2      HIS 132 -45.177  13.525  -9.374
  Start of MODEL   17
    1   1H    MET   0           HT1      MET   0  35.094  -0.772  -2.256
    2   2H    MET   0           HT2      MET   0  34.521  -2.237  -2.878
    3   3H    MET   0           HT3      MET   0  36.066  -2.156  -2.194
    4    HA   MET   0           HA       MET   0  34.515  -3.221  -0.694
    5   1HB   MET   0          HB2       MET   0  35.279  -0.467   0.294
    6   2HB   MET   0          HB1       MET   0  35.025  -1.907   1.271
    7   1HG   MET   0          HG2       MET   0  37.240  -1.452  -0.714
    8   2HG   MET   0          HG1       MET   0  37.381  -1.463   1.043
    9   1HE   MET   0          HE1       MET   0  37.106  -3.626   2.541
   10   2HE   MET   0          HE2       MET   0  36.671  -5.211   1.901
   11   3HE   MET   0          HE3       MET   0  35.503  -3.891   1.854
   12    H    ASN   1           HN       ASN   1  33.106  -1.056  -2.588
   13    HA   ASN   1           HA       ASN   1  30.801  -0.654  -0.798
   14   1HB   ASN   1          HB2       ASN   1  31.939   1.040  -2.995
   15   2HB   ASN   1          HB1       ASN   1  30.229   1.160  -2.590
   16   1HD2  ASN   1          HD21      ASN   1  29.627   1.893  -0.549
   17   2HD2  ASN   1          HD22      ASN   1  30.702   2.810   0.444
   18    H    CYS   2           HN       CYS   2  28.670  -0.709  -1.829
   19    HA   CYS   2           HA       CYS   2  28.541  -2.913  -3.717
   20   1HB   CYS   2          HB2       CYS   2  26.472  -1.500  -2.047
   21   2HB   CYS   2          HB1       CYS   2  26.040  -2.702  -3.261
   22    H    GLY   3           HN       GLY   3  28.763   0.362  -4.014
   23   1HA   GLY   3          HA2       GLY   3  28.705   1.483  -6.098
   24   2HA   GLY   3          HA1       GLY   3  27.586   0.264  -6.695
   25    HA   PRO   4           HA       PRO   4  25.620   4.470  -5.101
   26   1HB   PRO   4          HB2       PRO   4  24.867   4.375  -7.998
   27   2HB   PRO   4          HB1       PRO   4  25.161   5.776  -6.960
   28   1HG   PRO   4          HG2       PRO   4  27.023   4.982  -8.675
   29   2HG   PRO   4          HG1       PRO   4  27.475   5.512  -7.045
   30   1HD   PRO   4          HD2       PRO   4  27.356   2.755  -8.176
   31   2HD   PRO   4          HD1       PRO   4  28.463   3.435  -6.966
   32    HA   PRO   5           HA       PRO   5  22.103   1.845  -4.314
   33   1HB   PRO   5          HB2       PRO   5  20.848   4.479  -3.723
   34   2HB   PRO   5          HB1       PRO   5  20.899   3.011  -2.742
   35   1HG   PRO   5          HG2       PRO   5  22.443   5.100  -2.152
   36   2HG   PRO   5          HG1       PRO   5  23.045   3.441  -1.977
   37   1HD   PRO   5          HD2       PRO   5  23.633   5.460  -4.094
   38   2HD   PRO   5          HD1       PRO   5  24.698   4.239  -3.370
   39    HA   PRO   6           HA       PRO   6  20.259   2.359  -8.420
   40   1HB   PRO   6          HB2       PRO   6  18.447   0.287  -7.927
   41   2HB   PRO   6          HB1       PRO   6  20.027   0.112  -8.693
   42   1HG   PRO   6          HG2       PRO   6  19.217  -0.386  -5.867
   43   2HG   PRO   6          HG1       PRO   6  20.387  -1.260  -6.874
   44   1HD   PRO   6          HD2       PRO   6  21.186   0.440  -4.968
   45   2HD   PRO   6          HD1       PRO   6  22.059   0.303  -6.509
   46    H    THR   7           HN       THR   7  17.889   2.192  -9.073
   47    HA   THR   7           HA       THR   7  16.394   4.047  -7.364
   48    HB   THR   7           HB       THR   7  15.921   3.290 -10.261
   49    HG1  THR   7           HG1      THR   7  16.684   5.861  -9.433
   50   1HG2  THR   7          HG21      THR   7  14.323   5.126 -10.295
   51   2HG2  THR   7          HG22      THR   7  14.633   5.453  -8.591
   52   3HG2  THR   7          HG23      THR   7  13.862   3.941  -9.071
   53    H    LEU   8           HN       LEU   8  14.611   3.391  -6.302
   54    HA   LEU   8           HA       LEU   8  13.573   0.724  -6.936
   55   1HB   LEU   8          HB2       LEU   8  13.354   2.320  -4.385
   56   2HB   LEU   8          HB1       LEU   8  12.719   0.706  -4.636
   57    HG   LEU   8           HG       LEU   8  15.196   0.105  -5.180
   58   1HD1  LEU   8          HD11      LEU   8  15.516   2.635  -3.584
   59   2HD1  LEU   8          HD12      LEU   8  16.104   2.327  -5.219
   60   3HD1  LEU   8          HD13      LEU   8  16.789   1.445  -3.854
   61   1HD2  LEU   8          HD21      LEU   8  15.592  -0.319  -2.770
   62   2HD2  LEU   8          HD22      LEU   8  13.988  -0.816  -3.311
   63   3HD2  LEU   8          HD23      LEU   8  14.186   0.681  -2.400
   64    H    SER   9           HN       SER   9  11.817   0.820  -8.166
   65    HA   SER   9           HA       SER   9  10.113   3.104  -8.260
   66   1HB   SER   9          HB2       SER   9   8.673   1.720  -9.710
   67   2HB   SER   9          HB1       SER   9  10.363   1.595 -10.199
   68    HG   SER   9           HG       SER   9   9.657  -0.466 -10.137
   69    H    PHE  10           HN       PHE  10  10.494   0.699  -6.022
   70    HA   PHE  10           HA       PHE  10   7.733   0.969  -5.042
   71   1HB   PHE  10          HB2       PHE  10   8.037  -1.182  -3.901
   72   2HB   PHE  10          HB1       PHE  10   8.290  -1.344  -5.635
   73    HD1  PHE  10           HD1      PHE  10  10.750  -1.215  -6.449
   74    HD2  PHE  10           HD2      PHE  10   9.599  -2.027  -2.431
   75    HE1  PHE  10           HE1      PHE  10  12.943  -2.251  -6.036
   76    HE2  PHE  10           HE2      PHE  10  11.793  -3.065  -2.012
   77    HZ   PHE  10           HZ       PHE  10  13.468  -3.176  -3.816
   78    H    ALA  11           HN       ALA  11   9.462   2.981  -4.520
   79    HA   ALA  11           HA       ALA  11   9.305   3.693  -1.996
   80   1HB   ALA  11          HB1       ALA  11  11.818   2.016  -2.183
   81   2HB   ALA  11          HB2       ALA  11  10.404   1.673  -1.186
   82   3HB   ALA  11          HB3       ALA  11  11.410   3.078  -0.835
   83    H    ALA  12           HN       ALA  12  10.377   5.598  -1.544
   84    HA   ALA  12           HA       ALA  12  12.348   6.449  -3.565
   85   1HB   ALA  12          HB1       ALA  12  10.164   8.114  -2.314
   86   2HB   ALA  12          HB2       ALA  12  10.228   7.544  -3.981
   87   3HB   ALA  12          HB3       ALA  12  11.409   8.721  -3.405
   88    HA   PRO  13           HA       PRO  13  15.277   7.181  -0.329
   89   1HB   PRO  13          HB2       PRO  13  15.784   9.710  -1.842
   90   2HB   PRO  13          HB1       PRO  13  16.934   8.510  -1.240
   91   1HG   PRO  13          HG2       PRO  13  16.289   8.575  -3.817
   92   2HG   PRO  13          HG1       PRO  13  16.496   7.028  -2.977
   93   1HD   PRO  13          HD2       PRO  13  13.993   8.397  -3.838
   94   2HD   PRO  13          HD1       PRO  13  14.358   6.663  -3.750
   95    H    MET  14           HN       MET  14  15.529   8.444   1.542
   96    HA   MET  14           HA       MET  14  14.120  10.937   1.830
   97   1HB   MET  14          HB2       MET  14  12.518   8.830   2.185
   98   2HB   MET  14          HB1       MET  14  13.218   8.897   3.797
   99   1HG   MET  14          HG2       MET  14  11.870  11.221   2.444
  100   2HG   MET  14          HG1       MET  14  11.063  10.108   3.547
  101   1HE   MET  14          HE1       MET  14  13.662   9.692   5.676
  102   2HE   MET  14          HE2       MET  14  11.926   9.659   5.984
  103   3HE   MET  14          HE3       MET  14  12.963  10.754   6.899
  104    H    ASP  15           HN       ASP  15  16.206   8.471   3.005
  105    HA   ASP  15           HA       ASP  15  17.352  10.382   4.907
  106   1HB   ASP  15          HB2       ASP  15  15.830   8.771   6.110
  107   2HB   ASP  15          HB1       ASP  15  16.915   7.477   5.613
  108    H    ILE  16           HN       ILE  16  17.844   8.594   2.271
  109    HA   ILE  16           HA       ILE  16  20.329   7.329   2.861
  110    HB   ILE  16           HB       ILE  16  20.087   6.383   0.856
  111   1HG1  ILE  16          HG12      ILE  16  19.628   9.099  -0.390
  112   2HG1  ILE  16          HG11      ILE  16  21.204   8.344  -0.178
  113   1HG2  ILE  16          HG21      ILE  16  17.938   6.579  -0.265
  114   2HG2  ILE  16          HG22      ILE  16  17.601   8.061   0.630
  115   3HG2  ILE  16          HG23      ILE  16  17.736   6.523   1.487
  116   1HD1  ILE  16          HD11      ILE  16  18.954   7.343  -1.904
  117   2HD1  ILE  16          HD12      ILE  16  20.481   6.500  -1.641
  118   3HD1  ILE  16          HD13      ILE  16  20.467   8.071  -2.447
  119    H    THR  17           HN       THR  17  19.437  10.468   2.487
  120    HA   THR  17           HA       THR  17  20.461  12.440   1.989
  121    HB   THR  17           HB       THR  17  22.770  12.672   2.885
  122    HG1  THR  17           HG1      THR  17  23.215  10.632   4.288
  123   1HG2  THR  17          HG21      THR  17  20.731  11.395   4.711
  124   2HG2  THR  17          HG22      THR  17  20.844  13.107   4.305
  125   3HG2  THR  17          HG23      THR  17  22.123  12.337   5.244
  126    H    LEU  18           HN       LEU  18  20.527  12.707  -0.150
  127    HA   LEU  18           HA       LEU  18  22.374  11.345  -1.831
  128   1HB   LEU  18          HB2       LEU  18  20.301  13.450  -2.162
  129   2HB   LEU  18          HB1       LEU  18  21.468  13.209  -3.443
  130    HG   LEU  18           HG       LEU  18  19.429  11.968  -3.914
  131   1HD1  LEU  18          HD11      LEU  18  21.534   9.987  -3.091
  132   2HD1  LEU  18          HD12      LEU  18  21.707  11.042  -4.493
  133   3HD1  LEU  18          HD13      LEU  18  20.389   9.871  -4.428
  134   1HD2  LEU  18          HD21      LEU  18  19.961  10.461  -1.358
  135   2HD2  LEU  18          HD22      LEU  18  18.624  10.210  -2.483
  136   3HD2  LEU  18          HD23      LEU  18  18.726  11.705  -1.551
  137    H    THR  19           HN       THR  19  24.189  12.146  -0.341
  138    HA   THR  19           HA       THR  19  25.240  14.683  -1.409
  139    HB   THR  19           HB       THR  19  26.324  15.144   0.676
  140    HG1  THR  19           HG1      THR  19  25.222  12.969   2.028
  141   1HG2  THR  19          HG21      THR  19  24.384  15.243   2.245
  142   2HG2  THR  19          HG22      THR  19  23.468  14.255   1.105
  143   3HG2  THR  19          HG23      THR  19  24.028  15.861   0.632
  144    H    GLU  20           HN       GLU  20  25.663  11.348  -0.938
  145    HA   GLU  20           HA       GLU  20  28.441  11.520  -1.904
  146   1HB   GLU  20          HB2       GLU  20  27.244   9.458  -0.041
  147   2HB   GLU  20          HB1       GLU  20  28.863   9.377  -0.720
  148   1HG   GLU  20          HG2       GLU  20  27.881  11.619   1.027
  149   2HG   GLU  20          HG1       GLU  20  28.759  10.209   1.620
  150    H    THR  21           HN       THR  21  28.881   8.912  -2.556
  151    HA   THR  21           HA       THR  21  26.698   8.156  -4.370
  152    HB   THR  21           HB       THR  21  29.489   7.931  -5.393
  153    HG1  THR  21           HG1      THR  21  29.581  10.069  -5.000
  154   1HG2  THR  21          HG21      THR  21  26.825   8.507  -6.693
  155   2HG2  THR  21          HG22      THR  21  27.631   6.939  -6.635
  156   3HG2  THR  21          HG23      THR  21  28.353   8.269  -7.541
  157    H    ARG  22           HN       ARG  22  29.010   7.296  -2.101
  158    HA   ARG  22           HA       ARG  22  28.733   4.443  -2.779
  159   1HB   ARG  22          HB2       ARG  22  31.080   5.823  -1.479
  160   2HB   ARG  22          HB1       ARG  22  30.919   4.084  -1.678
  161   1HG   ARG  22          HG2       ARG  22  30.891   4.384  -4.116
  162   2HG   ARG  22          HG1       ARG  22  31.114   6.120  -3.887
  163   1HD   ARG  22          HD2       ARG  22  33.015   3.925  -3.079
  164   2HD   ARG  22          HD1       ARG  22  33.243   5.100  -4.376
  165    HE   ARG  22           HE       ARG  22  32.860   6.477  -1.964
  166   1HH1  ARG  22          HH11      ARG  22  35.208   4.432  -3.527
  167   2HH1  ARG  22          HH12      ARG  22  36.557   5.121  -2.688
  168   1HH2  ARG  22          HH21      ARG  22  34.629   7.389  -0.853
  169   2HH2  ARG  22          HH22      ARG  22  36.228   6.802  -1.168
  170    H    PHE  23           HN       PHE  23  28.538   2.993  -0.994
  171    HA   PHE  23           HA       PHE  23  28.079   4.133   1.648
  172   1HB   PHE  23          HB2       PHE  23  25.958   2.553   0.168
  173   2HB   PHE  23          HB1       PHE  23  25.865   3.069   1.848
  174    HD1  PHE  23           HD1      PHE  23  24.850   5.088   2.373
  175    HD2  PHE  23           HD2      PHE  23  26.235   4.424  -1.594
  176    HE1  PHE  23           HE1      PHE  23  23.823   7.212   1.659
  177    HE2  PHE  23           HE2      PHE  23  25.227   6.541  -2.310
  178    HZ   PHE  23           HZ       PHE  23  24.012   7.940  -0.686
  179    H    LYS  24           HN       LYS  24  29.810   2.956   2.388
  180    HA   LYS  24           HA       LYS  24  30.713   0.450   1.919
  181   1HB   LYS  24          HB2       LYS  24  31.144   0.324   4.451
  182   2HB   LYS  24          HB1       LYS  24  31.909   1.600   3.518
  183   1HG   LYS  24          HG2       LYS  24  30.151   3.161   4.250
  184   2HG   LYS  24          HG1       LYS  24  29.437   1.869   5.218
  185   1HD   LYS  24          HD2       LYS  24  31.518   1.698   6.508
  186   2HD   LYS  24          HD1       LYS  24  32.210   3.011   5.553
  187   1HE   LYS  24          HE2       LYS  24  31.401   3.862   7.670
  188   2HE   LYS  24          HE1       LYS  24  30.429   4.505   6.347
  189   1HZ   LYS  24          HZ1       LYS  24  29.012   3.829   8.148
  190   2HZ   LYS  24          HZ2       LYS  24  29.678   2.273   8.155
  191   3HZ   LYS  24          HZ3       LYS  24  28.760   2.793   6.833
  192    H    THR  25           HN       THR  25  30.502  -1.565   3.151
  193    HA   THR  25           HA       THR  25  27.890  -2.574   3.072
  194    HB   THR  25           HB       THR  25  28.871  -4.462   4.463
  195    HG1  THR  25           HG1      THR  25  31.039  -4.417   4.892
  196   1HG2  THR  25          HG21      THR  25  30.480  -3.845   1.997
  197   2HG2  THR  25          HG22      THR  25  28.797  -4.366   1.932
  198   3HG2  THR  25          HG23      THR  25  30.023  -5.433   2.621
  199    H    GLY  26           HN       GLY  26  26.810  -3.564   5.088
  200   1HA   GLY  26          HA2       GLY  26  25.946  -3.331   7.211
  201   2HA   GLY  26          HA1       GLY  26  27.361  -2.376   7.624
  202    H    THR  27           HN       THR  27  26.653  -0.593   5.206
  203    HA   THR  27           HA       THR  27  25.383   1.465   6.623
  204    HB   THR  27           HB       THR  27  26.814   1.552   4.456
  205    HG1  THR  27           HG1      THR  27  25.798   3.568   3.959
  206   1HG2  THR  27          HG21      THR  27  24.093   1.530   3.164
  207   2HG2  THR  27          HG22      THR  27  25.132   0.103   3.207
  208   3HG2  THR  27          HG23      THR  27  25.679   1.565   2.384
  209    H    THR  28           HN       THR  28  23.225   2.385   6.249
  210    HA   THR  28           HA       THR  28  21.316   0.627   4.945
  211    HB   THR  28           HB       THR  28  21.233   1.202   7.898
  212    HG1  THR  28           HG1      THR  28  20.544  -1.285   7.129
  213   1HG2  THR  28          HG21      THR  28  18.969   0.188   7.893
  214   2HG2  THR  28          HG22      THR  28  18.980   0.244   6.129
  215   3HG2  THR  28          HG23      THR  28  19.028   1.741   7.059
  216    H    LEU  29           HN       LEU  29  19.896   1.726   3.853
  217    HA   LEU  29           HA       LEU  29  19.688   4.594   4.227
  218   1HB   LEU  29          HB2       LEU  29  18.321   2.884   2.150
  219   2HB   LEU  29          HB1       LEU  29  18.561   4.620   2.104
  220    HG   LEU  29           HG       LEU  29  21.100   4.020   2.131
  221   1HD1  LEU  29          HD11      LEU  29  21.546   1.872   0.966
  222   2HD1  LEU  29          HD12      LEU  29  19.857   1.431   1.223
  223   3HD1  LEU  29          HD13      LEU  29  20.924   1.678   2.605
  224   1HD2  LEU  29          HD21      LEU  29  19.950   5.075   0.256
  225   2HD2  LEU  29          HD22      LEU  29  19.393   3.496  -0.298
  226   3HD2  LEU  29          HD23      LEU  29  21.115   3.876  -0.304
  227    H    LYS  30           HN       LYS  30  16.910   4.530   3.013
  228    HA   LYS  30           HA       LYS  30  15.329   3.432   5.201
  229   1HB   LYS  30          HB2       LYS  30  15.939   5.721   5.912
  230   2HB   LYS  30          HB1       LYS  30  15.190   6.355   4.453
  231   1HG   LYS  30          HG2       LYS  30  13.033   5.745   5.168
  232   2HG   LYS  30          HG1       LYS  30  13.667   4.708   6.447
  233   1HD   LYS  30          HD2       LYS  30  14.044   7.698   6.357
  234   2HD   LYS  30          HD1       LYS  30  12.749   6.892   7.245
  235   1HE   LYS  30          HE2       LYS  30  14.450   5.648   8.533
  236   2HE   LYS  30          HE1       LYS  30  15.713   6.541   7.685
  237   1HZ   LYS  30          HZ1       LYS  30  13.629   7.719   9.444
  238   2HZ   LYS  30          HZ2       LYS  30  14.804   8.596   8.603
  239   3HZ   LYS  30          HZ3       LYS  30  15.265   7.527   9.829
  240    H    TYR  31           HN       TYR  31  14.587   5.872   2.731
  241    HA   TYR  31           HA       TYR  31  13.232   5.853   0.909
  242   1HB   TYR  31          HB2       TYR  31  13.450   2.863   1.236
  243   2HB   TYR  31          HB1       TYR  31  12.570   3.632  -0.082
  244    HD1  TYR  31           HD1      TYR  31  15.829   2.753   1.236
  245    HD2  TYR  31           HD2      TYR  31  13.791   4.956  -1.776
  246    HE1  TYR  31           HE1      TYR  31  17.914   2.906  -0.054
  247    HE2  TYR  31           HE2      TYR  31  15.872   5.117  -3.076
  248    HH   TYR  31           HH       TYR  31  18.622   3.252  -2.376
  249    H    THR  32           HN       THR  32  11.128   6.233   0.640
  250    HA   THR  32           HA       THR  32   9.314   5.502   2.797
  251    HB   THR  32           HB       THR  32   8.010   7.305   2.198
  252    HG1  THR  32           HG1      THR  32   7.401   6.902   0.141
  253   1HG2  THR  32          HG21      THR  32  10.258   8.144   2.711
  254   2HG2  THR  32          HG22      THR  32   9.439   9.180   1.542
  255   3HG2  THR  32          HG23      THR  32  10.681   8.050   1.001
  256    H    CYS  33           HN       CYS  33   6.874   5.581   1.497
  257    HA   CYS  33           HA       CYS  33   6.913   3.641  -0.657
  258   1HB   CYS  33          HB2       CYS  33   5.640   3.017   2.015
  259   2HB   CYS  33          HB1       CYS  33   5.366   2.092   0.543
  260    H    LEU  34           HN       LEU  34   5.765   4.584  -2.033
  261    HA   LEU  34           HA       LEU  34   4.004   6.645  -1.899
  262   1HB   LEU  34          HB2       LEU  34   3.525   4.384  -3.821
  263   2HB   LEU  34          HB1       LEU  34   3.224   6.094  -4.063
  264    HG   LEU  34           HG       LEU  34   5.940   4.777  -3.872
  265   1HD1  LEU  34          HD11      LEU  34   6.156   5.364  -6.215
  266   2HD1  LEU  34          HD12      LEU  34   4.541   6.073  -6.208
  267   3HD1  LEU  34          HD13      LEU  34   4.742   4.337  -5.970
  268   1HD2  LEU  34          HD21      LEU  34   6.912   6.906  -4.271
  269   2HD2  LEU  34          HD22      LEU  34   5.800   7.092  -2.912
  270   3HD2  LEU  34          HD23      LEU  34   5.331   7.653  -4.517
  271    HA   PRO  35           HA       PRO  35   0.284   5.720   0.229
  272   1HB   PRO  35          HB2       PRO  35  -1.525   6.595  -1.749
  273   2HB   PRO  35          HB1       PRO  35  -0.870   7.548  -0.416
  274   1HG   PRO  35          HG2       PRO  35   0.005   7.409  -3.258
  275   2HG   PRO  35          HG1       PRO  35   0.020   8.786  -2.139
  276   1HD   PRO  35          HD2       PRO  35   2.275   7.503  -2.771
  277   2HD   PRO  35          HD1       PRO  35   1.992   8.089  -1.117
  278    H    GLY  36           HN       GLY  36  -0.152   3.620   0.438
  279   1HA   GLY  36          HA2       GLY  36  -1.882   1.978  -0.204
  280   2HA   GLY  36          HA1       GLY  36  -1.363   2.222  -1.867
  281    H    TYR  37           HN       TYR  37   1.452   2.382  -0.982
  282    HA   TYR  37           HA       TYR  37   2.226  -0.271  -1.496
  283   1HB   TYR  37          HB2       TYR  37   3.571   2.220  -0.628
  284   2HB   TYR  37          HB1       TYR  37   4.382   0.731  -0.162
  285    HD1  TYR  37           HD1      TYR  37   4.764  -1.001  -2.076
  286    HD2  TYR  37           HD2      TYR  37   3.979   3.130  -2.702
  287    HE1  TYR  37           HE1      TYR  37   5.757  -1.162  -4.321
  288    HE2  TYR  37           HE2      TYR  37   4.968   2.984  -4.951
  289    HH   TYR  37           HH       TYR  37   5.640   0.026  -6.469
  290    H    VAL  38           HN       VAL  38   1.017  -1.595  -0.051
  291    HA   VAL  38           HA       VAL  38   1.333  -1.369   2.783
  292    HB   VAL  38           HB       VAL  38  -0.185  -3.018   0.859
  293   1HG1  VAL  38          HG11      VAL  38  -0.728  -4.777   2.400
  294   2HG1  VAL  38          HG12      VAL  38   0.347  -4.086   3.620
  295   3HG1  VAL  38          HG13      VAL  38   1.015  -4.744   2.126
  296   1HG2  VAL  38          HG21      VAL  38  -1.155  -1.105   1.992
  297   2HG2  VAL  38          HG22      VAL  38  -0.857  -1.870   3.554
  298   3HG2  VAL  38          HG23      VAL  38  -1.995  -2.596   2.414
  299    H    ARG  39           HN       ARG  39   2.847  -2.309   3.996
  300    HA   ARG  39           HA       ARG  39   4.699  -4.139   2.666
  301   1HB   ARG  39          HB2       ARG  39   6.322  -3.504   4.297
  302   2HB   ARG  39          HB1       ARG  39   5.546  -2.037   3.715
  303   1HG   ARG  39          HG2       ARG  39   4.196  -1.908   5.709
  304   2HG   ARG  39          HG1       ARG  39   4.858  -3.437   6.289
  305   1HD   ARG  39          HD2       ARG  39   7.096  -2.427   6.350
  306   2HD   ARG  39          HD1       ARG  39   6.411  -0.896   5.808
  307    HE   ARG  39           HE       ARG  39   5.132  -1.843   8.169
  308   1HH1  ARG  39          HH11      ARG  39   7.999  -0.245   6.998
  309   2HH1  ARG  39          HH12      ARG  39   8.301   0.586   8.488
  310   1HH2  ARG  39          HH21      ARG  39   5.522  -0.753  10.134
  311   2HH2  ARG  39          HH22      ARG  39   6.894   0.296  10.270
  312    H    SER  40           HN       SER  40   5.616  -5.897   3.860
  313    HA   SER  40           HA       SER  40   3.734  -7.093   5.782
  314   1HB   SER  40          HB2       SER  40   3.618  -8.247   3.629
  315   2HB   SER  40          HB1       SER  40   5.369  -8.466   3.626
  316    HG   SER  40           HG       SER  40   3.689 -10.159   4.528
  317    H    HIS  41           HN       HIS  41   5.876  -5.451   6.538
  318    HA   HIS  41           HA       HIS  41   7.585  -5.356   8.030
  319   1HB   HIS  41          HB2       HIS  41   7.031  -8.293   8.479
  320   2HB   HIS  41          HB1       HIS  41   7.925  -7.224   9.553
  321    HD1  HIS  41           HD1      HIS  41   6.465  -5.256  10.670
  322    HD2  HIS  41           HD2      HIS  41   4.340  -8.379   8.940
  323    HE1  HIS  41           HE1      HIS  41   4.141  -5.089  11.613
  324    HE2  HIS  41           HE2      HIS  41   2.900  -7.049  10.628
  325    H    SER  42           HN       SER  42   9.217  -7.929   8.531
  326    HA   SER  42           HA       SER  42  11.029  -9.015   7.693
  327   1HB   SER  42          HB2       SER  42   9.660  -9.379   5.630
  328   2HB   SER  42          HB1       SER  42  10.318  -7.875   4.988
  329    HG   SER  42           HG       SER  42  12.441  -8.924   5.421
  330    H    THR  43           HN       THR  43  10.763  -5.982   5.878
  331    HA   THR  43           HA       THR  43  13.022  -4.845   7.259
  332    HB   THR  43           HB       THR  43  13.415  -5.027   4.297
  333    HG1  THR  43           HG1      THR  43  13.194  -7.199   4.934
  334   1HG2  THR  43          HG21      THR  43  15.810  -4.968   5.032
  335   2HG2  THR  43          HG22      THR  43  15.238  -4.775   6.688
  336   3HG2  THR  43          HG23      THR  43  14.876  -3.542   5.481
  337    H    GLN  44           HN       GLN  44  13.697  -2.739   5.799
  338    HA   GLN  44           HA       GLN  44  11.540  -1.482   4.417
  339   1HB   GLN  44          HB2       GLN  44  11.091   0.298   6.045
  340   2HB   GLN  44          HB1       GLN  44  10.659  -1.281   6.688
  341   1HG   GLN  44          HG2       GLN  44  12.765  -1.328   7.945
  342   2HG   GLN  44          HG1       GLN  44  13.155   0.276   7.326
  343   1HE2  GLN  44          HE21      GLN  44  10.356   1.146   7.478
  344   2HE2  GLN  44          HE22      GLN  44  10.046   1.438   9.151
  345    H    THR  45           HN       THR  45  14.340  -2.008   4.017
  346    HA   THR  45           HA       THR  45  15.203   0.362   2.857
  347    HB   THR  45           HB       THR  45  15.641   1.386   4.936
  348    HG1  THR  45           HG1      THR  45  18.112   1.025   5.053
  349   1HG2  THR  45          HG21      THR  45  16.963  -1.175   5.836
  350   2HG2  THR  45          HG22      THR  45  15.379  -0.595   6.353
  351   3HG2  THR  45          HG23      THR  45  16.832   0.311   6.777
  352    H    LEU  46           HN       LEU  46  17.643   0.196   2.241
  353    HA   LEU  46           HA       LEU  46  18.197  -2.629   1.701
  354   1HB   LEU  46          HB2       LEU  46  19.608  -0.357   0.366
  355   2HB   LEU  46          HB1       LEU  46  19.254  -1.959  -0.253
  356    HG   LEU  46           HG       LEU  46  17.023  -0.035   0.286
  357   1HD1  LEU  46          HD11      LEU  46  18.584   1.217  -1.084
  358   2HD1  LEU  46          HD12      LEU  46  17.179   0.740  -2.038
  359   3HD1  LEU  46          HD13      LEU  46  18.705  -0.132  -2.215
  360   1HD2  LEU  46          HD21      LEU  46  16.478  -2.359  -0.188
  361   2HD2  LEU  46          HD22      LEU  46  17.380  -2.265  -1.701
  362   3HD2  LEU  46          HD23      LEU  46  15.925  -1.292  -1.478
  363    H    THR  47           HN       THR  47  20.552  -3.186   1.527
  364    HA   THR  47           HA       THR  47  22.330  -1.684   3.290
  365    HB   THR  47           HB       THR  47  22.018  -4.640   3.770
  366    HG1  THR  47           HG1      THR  47  20.362  -2.568   4.623
  367   1HG2  THR  47          HG21      THR  47  24.039  -3.411   4.568
  368   2HG2  THR  47          HG22      THR  47  23.102  -4.165   5.858
  369   3HG2  THR  47          HG23      THR  47  22.983  -2.428   5.581
  370    H    CYS  48           HN       CYS  48  24.562  -2.170   2.930
  371    HA   CYS  48           HA       CYS  48  24.996  -3.440   0.365
  372   1HB   CYS  48          HB2       CYS  48  26.137  -1.311   0.754
  373   2HB   CYS  48          HB1       CYS  48  26.915  -1.963   2.192
  374    H    ASN  49           HN       ASN  49  25.364  -5.505   0.248
  375    HA   ASN  49           HA       ASN  49  26.442  -6.945   2.545
  376   1HB   ASN  49          HB2       ASN  49  25.655  -8.937   1.496
  377   2HB   ASN  49          HB1       ASN  49  24.398  -7.734   1.231
  378   1HD2  ASN  49          HD21      ASN  49  24.671 -10.047  -0.288
  379   2HD2  ASN  49          HD22      ASN  49  25.080  -9.599  -1.907
  380    H    SER  50           HN       SER  50  27.935  -8.913   1.690
  381    HA   SER  50           HA       SER  50  30.210  -7.587   0.436
  382   1HB   SER  50          HB2       SER  50  30.630  -8.912   2.453
  383   2HB   SER  50          HB1       SER  50  29.961 -10.347   1.673
  384    HG   SER  50           HG       SER  50  32.371  -9.966   1.682
  385    H    ASP  51           HN       ASP  51  28.660  -7.523  -1.433
  386    HA   ASP  51           HA       ASP  51  29.376  -9.547  -3.430
  387   1HB   ASP  51          HB2       ASP  51  27.152 -10.165  -2.230
  388   2HB   ASP  51          HB1       ASP  51  26.497  -8.787  -3.113
  389    H    GLY  52           HN       GLY  52  29.211  -6.462  -2.503
  390   1HA   GLY  52          HA2       GLY  52  29.150  -4.442  -3.587
  391   2HA   GLY  52          HA1       GLY  52  29.633  -5.349  -5.013
  392    H    GLU  53           HN       GLU  53  26.796  -6.364  -3.568
  393    HA   GLU  53           HA       GLU  53  25.107  -4.742  -5.360
  394   1HB   GLU  53          HB2       GLU  53  23.833  -6.581  -5.983
  395   2HB   GLU  53          HB1       GLU  53  25.459  -7.251  -5.948
  396   1HG   GLU  53          HG2       GLU  53  25.028  -8.193  -3.740
  397   2HG   GLU  53          HG1       GLU  53  23.410  -7.495  -3.755
  398    H    TRP  54           HN       TRP  54  22.971  -4.304  -4.598
  399    HA   TRP  54           HA       TRP  54  22.853  -4.105  -1.727
  400   1HB   TRP  54          HB2       TRP  54  20.978  -3.117  -3.888
  401   2HB   TRP  54          HB1       TRP  54  20.845  -2.738  -2.178
  402    HD1  TRP  54           HD1      TRP  54  22.899  -1.879  -5.274
  403    HE1  TRP  54           HE1      TRP  54  24.351   0.184  -4.752
  404    HE3  TRP  54           HE3      TRP  54  22.013  -1.538  -0.278
  405    HZ2  TRP  54           HZ2      TRP  54  25.031   1.751  -2.494
  406    HZ3  TRP  54           HZ3      TRP  54  23.096   0.265   1.009
  407    HH2  TRP  54           HH2      TRP  54  24.576   1.874  -0.082
  408    H    VAL  55           HN       VAL  55  22.067  -5.643  -0.566
  409    HA   VAL  55           HA       VAL  55  20.229  -7.624  -1.723
  410    HB   VAL  55           HB       VAL  55  22.352  -7.708   0.375
  411   1HG1  VAL  55          HG11      VAL  55  20.420  -8.276   1.690
  412   2HG1  VAL  55          HG12      VAL  55  21.366  -9.731   1.376
  413   3HG1  VAL  55          HG13      VAL  55  19.883  -9.429   0.468
  414   1HG2  VAL  55          HG21      VAL  55  21.382  -9.878  -1.456
  415   2HG2  VAL  55          HG22      VAL  55  22.948  -9.744  -0.644
  416   3HG2  VAL  55          HG23      VAL  55  22.536  -8.644  -1.962
  417    H    TYR  56           HN       TYR  56  18.249  -8.014  -0.645
  418    HA   TYR  56           HA       TYR  56  17.655  -7.043   1.894
  419   1HB   TYR  56          HB2       TYR  56  16.280  -5.029   1.361
  420   2HB   TYR  56          HB1       TYR  56  17.982  -4.826   0.953
  421    HD1  TYR  56           HD1      TYR  56  14.593  -4.992  -0.333
  422    HD2  TYR  56           HD2      TYR  56  18.707  -4.906  -1.418
  423    HE1  TYR  56           HE1      TYR  56  13.969  -4.407  -2.639
  424    HE2  TYR  56           HE2      TYR  56  18.093  -4.318  -3.725
  425    HH   TYR  56           HH       TYR  56  16.175  -4.514  -5.227
  426    H    ASN  57           HN       ASN  57  15.149  -6.653   2.186
  427    HA   ASN  57           HA       ASN  57  13.770  -8.737   0.634
  428   1HB   ASN  57          HB2       ASN  57  13.262  -7.694   3.428
  429   2HB   ASN  57          HB1       ASN  57  12.220  -8.848   2.600
  430   1HD2  ASN  57          HD21      ASN  57  15.407  -8.328   3.945
  431   2HD2  ASN  57          HD22      ASN  57  15.808  -9.999   4.135
  432    H    THR  58           HN       THR  58  11.412  -8.395   0.326
  433    HA   THR  58           HA       THR  58  10.961  -5.724  -0.692
  434    HB   THR  58           HB       THR  58   9.104  -8.110  -0.753
  435    HG1  THR  58           HG1      THR  58  10.851  -7.147  -2.790
  436   1HG2  THR  58          HG21      THR  58   7.966  -5.973  -1.104
  437   2HG2  THR  58          HG22      THR  58   8.018  -6.909  -2.597
  438   3HG2  THR  58          HG23      THR  58   9.124  -5.555  -2.366
  439    H    PHE  59           HN       PHE  59  10.490  -4.278   0.862
  440    HA   PHE  59           HA       PHE  59   8.954  -4.941   3.167
  441   1HB   PHE  59          HB2       PHE  59   8.908  -2.212   3.123
  442   2HB   PHE  59          HB1       PHE  59  10.210  -3.181   3.802
  443    HD1  PHE  59           HD1      PHE  59   9.146  -1.284   0.822
  444    HD2  PHE  59           HD2      PHE  59  12.361  -3.201   2.845
  445    HE1  PHE  59           HE1      PHE  59  10.740  -0.250  -0.740
  446    HE2  PHE  59           HE2      PHE  59  13.961  -2.171   1.286
  447    HZ   PHE  59           HZ       PHE  59  13.152  -0.692  -0.510
  448    H    CYS  60           HN       CYS  60   8.020  -2.004   1.525
  449    HA   CYS  60           HA       CYS  60   5.271  -2.663   1.748
  450   1HB   CYS  60          HB2       CYS  60   5.024  -0.567   0.237
  451   2HB   CYS  60          HB1       CYS  60   5.644  -0.374   1.871
  452    H    ILE  61           HN       ILE  61   4.550  -4.348   0.609
  453    HA   ILE  61           HA       ILE  61   5.397  -4.803  -2.104
  454    HB   ILE  61           HB       ILE  61   3.925  -6.776  -2.034
  455   1HG1  ILE  61          HG12      ILE  61   3.289  -5.805   0.763
  456   2HG1  ILE  61          HG11      ILE  61   2.159  -5.911  -0.582
  457   1HG2  ILE  61          HG21      ILE  61   5.212  -8.030  -0.425
  458   2HG2  ILE  61          HG22      ILE  61   5.674  -6.549   0.412
  459   3HG2  ILE  61          HG23      ILE  61   6.259  -6.857  -1.224
  460   1HD1  ILE  61          HD11      ILE  61   1.888  -7.744   1.010
  461   2HD1  ILE  61          HD12      ILE  61   3.549  -8.249   0.698
  462   3HD1  ILE  61          HD13      ILE  61   2.348  -8.321  -0.591
  463    H    TYR  62           HN       TYR  62   2.958  -2.936  -0.681
  464    HA   TYR  62           HA       TYR  62   1.206  -1.712  -1.608
  465   1HB   TYR  62          HB2       TYR  62   3.084  -1.708  -3.513
  466   2HB   TYR  62          HB1       TYR  62   1.819  -2.589  -4.364
  467    HD1  TYR  62           HD1      TYR  62   3.095   0.318  -4.681
  468    HD2  TYR  62           HD2      TYR  62  -0.582  -1.184  -3.169
  469    HE1  TYR  62           HE1      TYR  62   2.029   2.470  -5.182
  470    HE2  TYR  62           HE2      TYR  62  -1.671   0.963  -3.674
  471    HH   TYR  62           HH       TYR  62  -0.193   3.364  -5.604
  472    H    LYS  63           HN       LYS  63  -0.802  -2.471  -1.268
  473    HA   LYS  63           HA       LYS  63  -1.966  -4.187  -3.274
  474   1HB   LYS  63          HB2       LYS  63  -2.797  -5.823  -1.683
  475   2HB   LYS  63          HB1       LYS  63  -1.041  -5.769  -1.641
  476   1HG   LYS  63          HG2       LYS  63  -1.178  -4.331   0.365
  477   2HG   LYS  63          HG1       LYS  63  -2.931  -4.533   0.347
  478   1HD   LYS  63          HD2       LYS  63  -2.013  -6.100   1.911
  479   2HD   LYS  63          HD1       LYS  63  -2.578  -6.992   0.502
  480   1HE   LYS  63          HE2       LYS  63  -0.269  -7.006  -0.372
  481   2HE   LYS  63          HE1       LYS  63   0.256  -6.245   1.127
  482   1HZ   LYS  63          HZ1       LYS  63  -0.518  -8.156   2.357
  483   2HZ   LYS  63          HZ2       LYS  63   0.570  -8.652   1.159
  484   3HZ   LYS  63          HZ3       LYS  63  -1.091  -8.883   0.940
  485    H    ARG  64           HN       ARG  64  -3.797  -3.225  -3.830
  486    HA   ARG  64           HA       ARG  64  -5.439  -1.996  -1.727
  487   1HB   ARG  64          HB2       ARG  64  -6.090  -0.309  -3.548
  488   2HB   ARG  64          HB1       ARG  64  -4.513  -0.128  -2.790
  489   1HG   ARG  64          HG2       ARG  64  -3.791  -1.658  -4.841
  490   2HG   ARG  64          HG1       ARG  64  -5.214  -0.899  -5.558
  491   1HD   ARG  64          HD2       ARG  64  -3.010   0.648  -4.214
  492   2HD   ARG  64          HD1       ARG  64  -3.024   0.290  -5.941
  493    HE   ARG  64           HE       ARG  64  -5.440   1.541  -5.061
  494   1HH1  ARG  64          HH11      ARG  64  -2.145   2.135  -6.025
  495   2HH1  ARG  64          HH12      ARG  64  -2.455   3.754  -6.555
  496   1HH2  ARG  64          HH21      ARG  64  -5.858   3.672  -5.760
  497   2HH2  ARG  64          HH22      ARG  64  -4.566   4.627  -6.404
  498    H    CYS  65           HN       CYS  65  -7.731  -1.786  -2.301
  499    HA   CYS  65           HA       CYS  65  -8.599  -4.124  -3.836
  500   1HB   CYS  65          HB2       CYS  65 -10.331  -2.392  -2.074
  501   2HB   CYS  65          HB1       CYS  65 -10.625  -4.045  -2.600
  502    H    ARG  66           HN       ARG  66  -9.762  -3.912  -5.697
  503    HA   ARG  66           HA       ARG  66  -9.731  -1.535  -7.085
  504   1HB   ARG  66          HB2       ARG  66 -10.131  -3.632  -8.246
  505   2HB   ARG  66          HB1       ARG  66 -11.652  -3.857  -7.394
  506   1HG   ARG  66          HG2       ARG  66 -11.924  -3.097  -9.731
  507   2HG   ARG  66          HG1       ARG  66 -12.645  -2.005  -8.547
  508   1HD   ARG  66          HD2       ARG  66 -10.771  -0.501  -8.722
  509   2HD   ARG  66          HD1       ARG  66  -9.921  -1.625  -9.784
  510    HE   ARG  66           HE       ARG  66 -12.482  -0.787 -10.790
  511   1HH1  ARG  66          HH11      ARG  66  -9.085  -0.041 -10.604
  512   2HH1  ARG  66          HH12      ARG  66  -9.089   0.939 -12.032
  513   1HH2  ARG  66          HH21      ARG  66 -12.499   0.503 -12.673
  514   2HH2  ARG  66          HH22      ARG  66 -11.030   1.250 -13.206
  515    H    HIS  67           HN       HIS  67 -11.059   0.182  -7.275
  516    HA   HIS  67           HA       HIS  67 -12.532   1.016  -5.086
  517   1HB   HIS  67          HB2       HIS  67 -11.619   2.454  -6.940
  518   2HB   HIS  67          HB1       HIS  67 -12.982   1.937  -7.927
  519    HD1  HIS  67           HD1      HIS  67 -15.188   3.109  -7.568
  520    HD2  HIS  67           HD2      HIS  67 -12.345   4.081  -4.701
  521    HE1  HIS  67           HE1      HIS  67 -16.178   5.018  -6.264
  522    HE2  HIS  67           HE2      HIS  67 -14.415   5.630  -4.571
  523    HA   PRO  68           HA       PRO  68 -16.201  -1.630  -5.186
  524   1HB   PRO  68          HB2       PRO  68 -17.182   0.893  -3.909
  525   2HB   PRO  68          HB1       PRO  68 -17.495  -0.790  -3.458
  526   1HG   PRO  68          HG2       PRO  68 -15.709   0.675  -2.125
  527   2HG   PRO  68          HG1       PRO  68 -15.411  -1.041  -2.466
  528   1HD   PRO  68          HD2       PRO  68 -14.154   1.363  -3.660
  529   2HD   PRO  68          HD1       PRO  68 -13.517  -0.285  -3.501
  530    H    GLY  69           HN       GLY  69 -16.099   1.777  -6.117
  531   1HA   GLY  69          HA2       GLY  69 -16.836   2.443  -8.308
  532   2HA   GLY  69          HA1       GLY  69 -18.038   1.163  -8.244
  533    H    GLU  70           HN       GLU  70 -19.367   2.975  -8.950
  534    HA   GLU  70           HA       GLU  70 -20.046   5.010  -6.999
  535   1HB   GLU  70          HB2       GLU  70 -20.042   5.277  -9.588
  536   2HB   GLU  70          HB1       GLU  70 -21.580   4.431  -9.522
  537   1HG   GLU  70          HG2       GLU  70 -20.974   6.985  -8.052
  538   2HG   GLU  70          HG1       GLU  70 -21.789   6.890  -9.612
  539    H    LEU  71           HN       LEU  71 -21.669   5.034  -5.650
  540    HA   LEU  71           HA       LEU  71 -23.265   2.598  -5.369
  541   1HB   LEU  71          HB2       LEU  71 -21.995   4.015  -3.496
  542   2HB   LEU  71          HB1       LEU  71 -23.496   4.914  -3.496
  543    HG   LEU  71           HG       LEU  71 -23.136   1.989  -2.835
  544   1HD1  LEU  71          HD11      LEU  71 -22.475   3.679  -1.126
  545   2HD1  LEU  71          HD12      LEU  71 -23.778   2.602  -0.626
  546   3HD1  LEU  71          HD13      LEU  71 -24.144   4.253  -1.129
  547   1HD2  LEU  71          HD21      LEU  71 -25.555   2.027  -2.286
  548   2HD2  LEU  71          HD22      LEU  71 -25.221   2.195  -4.011
  549   3HD2  LEU  71          HD23      LEU  71 -25.666   3.610  -3.058
  550    H    ARG  72           HN       ARG  72 -24.870   2.776  -6.957
  551    HA   ARG  72           HA       ARG  72 -26.274   5.181  -7.476
  552   1HB   ARG  72          HB2       ARG  72 -26.405   3.411  -9.130
  553   2HB   ARG  72          HB1       ARG  72 -27.016   2.274  -7.933
  554   1HG   ARG  72          HG2       ARG  72 -29.100   3.470  -7.789
  555   2HG   ARG  72          HG1       ARG  72 -28.497   4.714  -8.888
  556   1HD   ARG  72          HD2       ARG  72 -28.734   1.807  -9.633
  557   2HD   ARG  72          HD1       ARG  72 -30.004   2.993  -9.931
  558    HE   ARG  72           HE       ARG  72 -27.848   4.124 -11.090
  559   1HH1  ARG  72          HH11      ARG  72 -29.268   0.951 -11.322
  560   2HH1  ARG  72          HH12      ARG  72 -28.777   0.710 -12.965
  561   1HH2  ARG  72          HH21      ARG  72 -27.200   3.817 -13.255
  562   2HH2  ARG  72          HH22      ARG  72 -27.601   2.339 -14.064
  563    H    ASN  73           HN       ASN  73 -27.556   6.267  -6.387
  564    HA   ASN  73           HA       ASN  73 -28.936   6.976  -4.730
  565   1HB   ASN  73          HB2       ASN  73 -29.800   4.064  -4.598
  566   2HB   ASN  73          HB1       ASN  73 -30.670   5.431  -3.908
  567   1HD2  ASN  73          HD21      ASN  73 -31.512   3.457  -5.888
  568   2HD2  ASN  73          HD22      ASN  73 -31.992   4.359  -7.281
  569    H    GLY  74           HN       GLY  74 -26.390   6.719  -4.027
  570   1HA   GLY  74          HA2       GLY  74 -26.476   6.201  -1.278
  571   2HA   GLY  74          HA1       GLY  74 -25.713   4.838  -2.075
  572    H    GLN  75           HN       GLN  75 -24.119   5.898  -0.378
  573    HA   GLN  75           HA       GLN  75 -22.276   7.553  -1.957
  574   1HB   GLN  75          HB2       GLN  75 -22.971   7.955   0.956
  575   2HB   GLN  75          HB1       GLN  75 -21.646   8.762   0.128
  576   1HG   GLN  75          HG2       GLN  75 -24.557   9.003  -0.597
  577   2HG   GLN  75          HG1       GLN  75 -23.630  10.181   0.332
  578   1HE2  GLN  75          HE21      GLN  75 -25.022  10.489  -2.211
  579   2HE2  GLN  75          HE22      GLN  75 -23.834  11.019  -3.347
  580    H    VAL  76           HN       VAL  76 -20.185   6.958  -1.891
  581    HA   VAL  76           HA       VAL  76 -19.517   4.635  -0.205
  582    HB   VAL  76           HB       VAL  76 -18.023   5.540  -2.664
  583   1HG1  VAL  76          HG11      VAL  76 -18.013   2.921  -1.162
  584   2HG1  VAL  76          HG12      VAL  76 -16.773   4.168  -1.038
  585   3HG1  VAL  76          HG13      VAL  76 -17.028   3.327  -2.568
  586   1HG2  VAL  76          HG21      VAL  76 -20.166   3.430  -2.412
  587   2HG2  VAL  76          HG22      VAL  76 -19.155   3.692  -3.834
  588   3HG2  VAL  76          HG23      VAL  76 -20.285   4.942  -3.313
  589    H    GLU  77           HN       GLU  77 -18.550   5.351   1.625
  590    HA   GLU  77           HA       GLU  77 -17.035   7.749   1.758
  591   1HB   GLU  77          HB2       GLU  77 -18.166   6.859   3.729
  592   2HB   GLU  77          HB1       GLU  77 -17.164   5.414   3.676
  593   1HG   GLU  77          HG2       GLU  77 -15.178   6.789   4.096
  594   2HG   GLU  77          HG1       GLU  77 -16.203   8.221   4.186
  595    H    ILE  78           HN       ILE  78 -15.494   7.513   0.062
  596    HA   ILE  78           HA       ILE  78 -13.372   5.544   0.576
  597    HB   ILE  78           HB       ILE  78 -14.087   7.057  -1.929
  598   1HG1  ILE  78          HG12      ILE  78 -15.413   5.056  -1.440
  599   2HG1  ILE  78          HG11      ILE  78 -14.392   4.807  -2.852
  600   1HG2  ILE  78          HG21      ILE  78 -11.656   7.029  -1.698
  601   2HG2  ILE  78          HG22      ILE  78 -12.181   5.970  -3.007
  602   3HG2  ILE  78          HG23      ILE  78 -11.693   5.281  -1.458
  603   1HD1  ILE  78          HD11      ILE  78 -13.925   3.758  -0.075
  604   2HD1  ILE  78          HD12      ILE  78 -12.787   3.595  -1.412
  605   3HD1  ILE  78          HD13      ILE  78 -14.374   2.831  -1.506
  606    H    LYS  79           HN       LYS  79 -11.713   6.267   1.651
  607    HA   LYS  79           HA       LYS  79 -10.634   8.922   1.044
  608   1HB   LYS  79          HB2       LYS  79 -10.256   9.319   3.435
  609   2HB   LYS  79          HB1       LYS  79 -11.969   9.129   3.089
  610   1HG   LYS  79          HG2       LYS  79 -10.150   7.039   4.279
  611   2HG   LYS  79          HG1       LYS  79 -11.349   7.993   5.141
  612   1HD   LYS  79          HD2       LYS  79 -12.938   6.944   3.286
  613   2HD   LYS  79          HD1       LYS  79 -11.718   5.666   3.371
  614   1HE   LYS  79          HE2       LYS  79 -13.147   6.821   5.763
  615   2HE   LYS  79          HE1       LYS  79 -13.642   5.356   4.924
  616   1HZ   LYS  79          HZ1       LYS  79 -11.000   5.758   6.210
  617   2HZ   LYS  79          HZ2       LYS  79 -11.550   4.335   5.481
  618   3HZ   LYS  79          HZ3       LYS  79 -12.288   4.899   6.894
  619    H    THR  80           HN       THR  80 -10.147   5.836   2.674
  620    HA   THR  80           HA       THR  80  -7.353   6.078   2.936
  621    HB   THR  80           HB       THR  80  -7.388   3.747   3.589
  622    HG1  THR  80           HG1      THR  80  -9.170   3.363   1.866
  623   1HG2  THR  80          HG21      THR  80  -9.435   3.943   5.223
  624   2HG2  THR  80          HG22      THR  80  -9.525   5.588   4.582
  625   3HG2  THR  80          HG23      THR  80  -8.057   5.031   5.388
  626    H    ASP  81           HN       ASP  81  -8.928   5.904   0.068
  627    HA   ASP  81           HA       ASP  81  -8.229   5.288  -2.079
  628   1HB   ASP  81          HB2       ASP  81  -5.618   4.998  -0.617
  629   2HB   ASP  81          HB1       ASP  81  -5.797   4.987  -2.370
  630    H    LEU  82           HN       LEU  82  -8.707   3.241   0.274
  631    HA   LEU  82           HA       LEU  82  -8.928   0.991   0.502
  632   1HB   LEU  82          HB2       LEU  82  -8.410   1.082  -2.467
  633   2HB   LEU  82          HB1       LEU  82  -8.851  -0.380  -1.610
  634    HG   LEU  82           HG       LEU  82 -10.858   0.325  -2.553
  635   1HD1  LEU  82          HD11      LEU  82 -10.855   1.597   0.180
  636   2HD1  LEU  82          HD12      LEU  82 -11.101  -0.117  -0.153
  637   3HD1  LEU  82          HD13      LEU  82 -12.272   1.070  -0.729
  638   1HD2  LEU  82          HD21      LEU  82 -11.652   2.656  -2.509
  639   2HD2  LEU  82          HD22      LEU  82 -10.133   2.467  -3.386
  640   3HD2  LEU  82          HD23      LEU  82 -10.131   3.138  -1.755
  641    H    SER  83           HN       SER  83  -6.604   1.894   1.390
  642    HA   SER  83           HA       SER  83  -4.371   0.587   0.124
  643   1HB   SER  83          HB2       SER  83  -3.048   1.522   1.970
  644   2HB   SER  83          HB1       SER  83  -4.068   2.753   1.227
  645    HG   SER  83           HG       SER  83  -4.027   1.904   3.777
  646    H    PHE  84           HN       PHE  84  -6.493  -1.184   1.012
  647    HA   PHE  84           HA       PHE  84  -6.767  -3.196   2.034
  648   1HB   PHE  84          HB2       PHE  84  -4.754  -3.885   0.968
  649   2HB   PHE  84          HB1       PHE  84  -3.759  -2.972   2.097
  650    HD1  PHE  84           HD1      PHE  84  -2.784  -4.055   3.876
  651    HD2  PHE  84           HD2      PHE  84  -6.198  -5.786   2.017
  652    HE1  PHE  84           HE1      PHE  84  -2.528  -6.058   5.281
  653    HE2  PHE  84           HE2      PHE  84  -5.948  -7.793   3.420
  654    HZ   PHE  84           HZ       PHE  84  -4.112  -7.931   5.054
  655    H    GLY  85           HN       GLY  85  -7.473  -3.782   4.024
  656   1HA   GLY  85          HA2       GLY  85  -7.480  -3.990   6.333
  657   2HA   GLY  85          HA1       GLY  85  -6.001  -3.045   6.400
  658    H    SER  86           HN       SER  86  -9.063  -2.137   4.860
  659    HA   SER  86           HA       SER  86  -9.505  -0.179   6.985
  660   1HB   SER  86          HB2       SER  86 -10.018   1.568   5.243
  661   2HB   SER  86          HB1       SER  86  -8.312   1.132   5.388
  662    HG   SER  86           HG       SER  86  -8.753  -0.364   3.596
  663    H    GLN  87           HN       GLN  87 -11.558   0.857   6.899
  664    HA   GLN  87           HA       GLN  87 -13.643  -0.887   5.761
  665   1HB   GLN  87          HB2       GLN  87 -13.923  -1.195   8.042
  666   2HB   GLN  87          HB1       GLN  87 -13.389   0.431   8.435
  667   1HG   GLN  87          HG2       GLN  87 -15.949   0.105   6.963
  668   2HG   GLN  87          HG1       GLN  87 -15.901  -0.293   8.681
  669   1HE2  GLN  87          HE21      GLN  87 -15.767   2.214   6.320
  670   2HE2  GLN  87          HE22      GLN  87 -15.795   3.547   7.414
  671    H    ILE  88           HN       ILE  88 -15.154   0.057   4.496
  672    HA   ILE  88           HA       ILE  88 -15.186   3.002   4.377
  673    HB   ILE  88           HB       ILE  88 -15.751   2.750   1.932
  674   1HG1  ILE  88          HG12      ILE  88 -14.592  -0.017   2.324
  675   2HG1  ILE  88          HG11      ILE  88 -16.304   0.312   2.076
  676   1HG2  ILE  88          HG21      ILE  88 -13.589   3.541   2.640
  677   2HG2  ILE  88          HG22      ILE  88 -13.384   2.444   1.273
  678   3HG2  ILE  88          HG23      ILE  88 -13.033   1.889   2.910
  679   1HD1  ILE  88          HD11      ILE  88 -15.822   1.240  -0.114
  680   2HD1  ILE  88          HD12      ILE  88 -15.213  -0.410   0.025
  681   3HD1  ILE  88          HD13      ILE  88 -14.099   0.954   0.133
  682    H    GLU  89           HN       GLU  89 -17.002   3.353   5.548
  683    HA   GLU  89           HA       GLU  89 -19.354   1.820   5.406
  684   1HB   GLU  89          HB2       GLU  89 -18.610   4.488   6.508
  685   2HB   GLU  89          HB1       GLU  89 -20.311   4.088   6.360
  686   1HG   GLU  89          HG2       GLU  89 -20.001   2.125   7.742
  687   2HG   GLU  89          HG1       GLU  89 -18.272   2.455   7.848
  688    H    PHE  90           HN       PHE  90 -21.453   2.534   4.626
  689    HA   PHE  90           HA       PHE  90 -21.226   4.131   2.165
  690   1HB   PHE  90          HB2       PHE  90 -23.107   1.821   2.692
  691   2HB   PHE  90          HB1       PHE  90 -22.999   2.748   1.199
  692    HD1  PHE  90           HD1      PHE  90 -21.357   0.254   3.318
  693    HD2  PHE  90           HD2      PHE  90 -21.204   2.384  -0.366
  694    HE1  PHE  90           HE1      PHE  90 -19.642  -1.302   2.489
  695    HE2  PHE  90           HE2      PHE  90 -19.494   0.831  -1.199
  696    HZ   PHE  90           HZ       PHE  90 -18.709  -1.015   0.228
  697    H    SER  91           HN       SER  91 -23.702   4.663   1.473
  698    HA   SER  91           HA       SER  91 -25.329   5.448   3.708
  699   1HB   SER  91          HB2       SER  91 -24.045   7.644   2.077
  700   2HB   SER  91          HB1       SER  91 -25.239   7.851   3.357
  701    HG   SER  91           HG       SER  91 -23.106   8.195   4.111
  702    H    CYS  92           HN       CYS  92 -27.236   4.845   2.961
  703    HA   CYS  92           HA       CYS  92 -27.836   5.121   0.142
  704   1HB   CYS  92          HB2       CYS  92 -28.547   3.157   1.680
  705   2HB   CYS  92          HB1       CYS  92 -29.860   4.225   2.170
  706    H    SER  93           HN       SER  93 -28.934   6.709  -0.768
  707    HA   SER  93           HA       SER  93 -29.327   9.153   0.370
  708   1HB   SER  93          HB2       SER  93 -30.692   7.870  -1.982
  709   2HB   SER  93          HB1       SER  93 -30.983   9.550  -1.525
  710    HG   SER  93           HG       SER  93 -28.702   8.352  -2.595
  711    H    GLU  94           HN       GLU  94 -31.553  10.277   0.103
  712    HA   GLU  94           HA       GLU  94 -33.038   9.985   2.374
  713   1HB   GLU  94          HB2       GLU  94 -33.112  11.954   0.968
  714   2HB   GLU  94          HB1       GLU  94 -33.913  11.044  -0.304
  715   1HG   GLU  94          HG2       GLU  94 -35.845  10.715   1.130
  716   2HG   GLU  94          HG1       GLU  94 -35.044  11.605   2.423
  717    H    GLY  95           HN       GLY  95 -34.588   9.193  -0.713
  718   1HA   GLY  95          HA2       GLY  95 -36.695   7.808   0.554
  719   2HA   GLY  95          HA1       GLY  95 -36.348   7.823  -1.159
  720    H    PHE  96           HN       PHE  96 -33.835   6.597   0.909
  721    HA   PHE  96           HA       PHE  96 -34.820   3.860   0.784
  722   1HB   PHE  96          HB2       PHE  96 -32.111   4.110  -0.357
  723   2HB   PHE  96          HB1       PHE  96 -33.406   3.002  -0.775
  724    HD1  PHE  96           HD1      PHE  96 -35.145   3.684  -2.373
  725    HD2  PHE  96           HD2      PHE  96 -31.763   6.122  -1.531
  726    HE1  PHE  96           HE1      PHE  96 -35.590   4.975  -4.413
  727    HE2  PHE  96           HE2      PHE  96 -32.197   7.431  -3.579
  728    HZ   PHE  96           HZ       PHE  96 -34.112   6.856  -5.023
  729    H    PHE  97           HN       PHE  97 -32.873   2.358   1.485
  730    HA   PHE  97           HA       PHE  97 -31.244   3.654   3.527
  731   1HB   PHE  97          HB2       PHE  97 -31.941   2.202   5.298
  732   2HB   PHE  97          HB1       PHE  97 -33.385   2.925   4.605
  733    HD1  PHE  97           HD1      PHE  97 -34.533   1.482   2.713
  734    HD2  PHE  97           HD2      PHE  97 -31.935  -0.048   5.719
  735    HE1  PHE  97           HE1      PHE  97 -35.529  -0.749   2.432
  736    HE2  PHE  97           HE2      PHE  97 -32.926  -2.283   5.441
  737    HZ   PHE  97           HZ       PHE  97 -34.725  -2.636   3.797
  738    H    LEU  98           HN       LEU  98 -29.796   1.998   4.584
  739    HA   LEU  98           HA       LEU  98 -28.392   0.640   2.442
  740   1HB   LEU  98          HB2       LEU  98 -27.378   2.134   4.269
  741   2HB   LEU  98          HB1       LEU  98 -27.584   0.764   5.339
  742    HG   LEU  98           HG       LEU  98 -25.289   0.981   4.445
  743   1HD1  LEU  98          HD11      LEU  98 -26.737  -1.497   3.535
  744   2HD1  LEU  98          HD12      LEU  98 -26.131  -1.193   5.163
  745   3HD1  LEU  98          HD13      LEU  98 -25.002  -1.351   3.816
  746   1HD2  LEU  98          HD21      LEU  98 -25.980   1.875   2.226
  747   2HD2  LEU  98          HD22      LEU  98 -26.473   0.240   1.783
  748   3HD2  LEU  98          HD23      LEU  98 -24.783   0.581   2.157
  749    H    ILE  99           HN       ILE  99 -28.133  -1.505   2.222
  750    HA   ILE  99           HA       ILE  99 -28.795  -3.412   4.298
  751    HB   ILE  99           HB       ILE  99 -30.147  -4.196   1.856
  752   1HG1  ILE  99          HG12      ILE  99 -31.472  -1.949   3.337
  753   2HG1  ILE  99          HG11      ILE  99 -30.467  -1.655   1.923
  754   1HG2  ILE  99          HG21      ILE  99 -31.971  -4.692   3.456
  755   2HG2  ILE  99          HG22      ILE  99 -31.006  -3.941   4.728
  756   3HG2  ILE  99          HG23      ILE  99 -30.418  -5.390   3.914
  757   1HD1  ILE  99          HD11      ILE  99 -32.767  -1.721   1.262
  758   2HD1  ILE  99          HD12      ILE  99 -32.983  -3.295   2.028
  759   3HD1  ILE  99          HD13      ILE  99 -31.939  -3.137   0.615
  760    H    GLY 100           HN       GLY 100 -27.221  -4.771   4.198
  761   1HA   GLY 100          HA2       GLY 100 -26.450  -6.594   2.445
  762   2HA   GLY 100          HA1       GLY 100 -25.705  -5.158   1.740
  763    H    SER 101           HN       SER 101 -24.598  -3.784   3.460
  764    HA   SER 101           HA       SER 101 -23.430  -4.775   5.757
  765   1HB   SER 101          HB2       SER 101 -21.216  -5.457   5.038
  766   2HB   SER 101          HB1       SER 101 -22.407  -6.428   4.173
  767    HG   SER 101           HG       SER 101 -22.047  -5.267   2.346
  768    H    THR 102           HN       THR 102 -23.549  -2.689   6.508
  769    HA   THR 102           HA       THR 102 -23.014  -0.416   4.945
  770    HB   THR 102           HB       THR 102 -23.207   0.879   6.933
  771    HG1  THR 102           HG1      THR 102 -23.240  -1.094   8.810
  772   1HG2  THR 102          HG21      THR 102 -25.307  -0.159   6.297
  773   2HG2  THR 102          HG22      THR 102 -25.198  -0.067   8.054
  774   3HG2  THR 102          HG23      THR 102 -24.908  -1.600   7.232
  775    H    THR 103           HN       THR 103 -20.959  -2.700   6.235
  776    HA   THR 103           HA       THR 103 -18.712  -0.811   6.128
  777    HB   THR 103           HB       THR 103 -17.492  -2.310   7.597
  778    HG1  THR 103           HG1      THR 103 -18.480  -4.128   8.471
  779   1HG2  THR 103          HG21      THR 103 -18.762  -0.518   8.616
  780   2HG2  THR 103          HG22      THR 103 -18.794  -1.942   9.657
  781   3HG2  THR 103          HG23      THR 103 -20.198  -1.538   8.668
  782    H    SER 104           HN       SER 104 -16.745  -1.593   5.178
  783    HA   SER 104           HA       SER 104 -16.890  -4.078   3.682
  784   1HB   SER 104          HB2       SER 104 -16.469  -1.343   2.465
  785   2HB   SER 104          HB1       SER 104 -15.918  -2.818   1.672
  786    HG   SER 104           HG       SER 104 -18.433  -3.183   2.426
  787    H    ARG 105           HN       ARG 105 -15.155  -5.122   4.351
  788    HA   ARG 105           HA       ARG 105 -12.810  -3.619   5.254
  789   1HB   ARG 105          HB2       ARG 105 -13.445  -6.557   5.580
  790   2HB   ARG 105          HB1       ARG 105 -12.124  -5.685   6.348
  791   1HG   ARG 105          HG2       ARG 105 -13.738  -4.316   7.572
  792   2HG   ARG 105          HG1       ARG 105 -15.060  -5.197   6.806
  793   1HD   ARG 105          HD2       ARG 105 -12.936  -6.440   8.546
  794   2HD   ARG 105          HD1       ARG 105 -14.553  -5.994   9.091
  795    HE   ARG 105           HE       ARG 105 -14.609  -7.738   6.828
  796   1HH1  ARG 105          HH11      ARG 105 -14.252  -7.628  10.292
  797   2HH1  ARG 105          HH12      ARG 105 -14.815  -9.248  10.531
  798   1HH2  ARG 105          HH21      ARG 105 -15.352  -9.873   7.134
  799   2HH2  ARG 105          HH22      ARG 105 -15.439 -10.525   8.736
  800    H    CYS 106           HN       CYS 106 -10.903  -3.665   4.269
  801    HA   CYS 106           HA       CYS 106 -10.734  -4.957   1.689
  802   1HB   CYS 106          HB2       CYS 106  -9.433  -2.706   3.017
  803   2HB   CYS 106          HB1       CYS 106  -8.282  -3.737   2.172
  804    H    GLU 107           HN       GLU 107 -10.017  -6.962   1.533
  805    HA   GLU 107           HA       GLU 107  -8.042  -7.898   3.497
  806   1HB   GLU 107          HB2       GLU 107 -10.348  -8.836   3.776
  807   2HB   GLU 107          HB1       GLU 107 -10.192  -9.563   2.181
  808   1HG   GLU 107          HG2       GLU 107  -8.294 -10.877   2.953
  809   2HG   GLU 107          HG1       GLU 107  -8.433 -10.147   4.551
  810    H    VAL 108           HN       VAL 108  -6.929  -9.941   2.630
  811    HA   VAL 108           HA       VAL 108  -6.509  -9.769  -0.254
  812    HB   VAL 108           HB       VAL 108  -4.422  -9.160   1.792
  813   1HG1  VAL 108          HG11      VAL 108  -3.281 -10.897   0.712
  814   2HG1  VAL 108          HG12      VAL 108  -2.762  -9.447  -0.149
  815   3HG1  VAL 108          HG13      VAL 108  -3.983 -10.502  -0.857
  816   1HG2  VAL 108          HG21      VAL 108  -5.690  -7.415   0.516
  817   2HG2  VAL 108          HG22      VAL 108  -4.897  -8.009  -0.946
  818   3HG2  VAL 108          HG23      VAL 108  -3.935  -7.331   0.368
  819    H    GLN 109           HN       GLN 109  -6.179 -11.563  -1.239
  820    HA   GLN 109           HA       GLN 109  -5.122 -13.896   0.175
  821   1HB   GLN 109          HB2       GLN 109  -6.926 -15.304  -0.865
  822   2HB   GLN 109          HB1       GLN 109  -7.493 -14.195   0.377
  823   1HG   GLN 109          HG2       GLN 109  -8.156 -12.619  -1.434
  824   2HG   GLN 109          HG1       GLN 109  -7.747 -13.874  -2.602
  825   1HE2  GLN 109          HE21      GLN 109 -10.013 -12.801  -0.220
  826   2HE2  GLN 109          HE22      GLN 109 -11.222 -13.997  -0.528
  827    H    ASP 110           HN       ASP 110  -4.281 -11.977  -1.899
  828    HA   ASP 110           HA       ASP 110  -2.973 -13.798  -3.641
  829   1HB   ASP 110          HB2       ASP 110  -5.178 -12.056  -4.746
  830   2HB   ASP 110          HB1       ASP 110  -3.870 -12.665  -5.754
  831    H    ARG 111           HN       ARG 111  -2.123 -12.137  -5.624
  832    HA   ARG 111           HA       ARG 111  -0.594 -10.184  -4.120
  833   1HB   ARG 111          HB2       ARG 111   0.635  -9.997  -6.391
  834   2HB   ARG 111          HB1       ARG 111   0.856 -11.449  -5.425
  835   1HG   ARG 111          HG2       ARG 111   0.561 -12.188  -7.629
  836   2HG   ARG 111          HG1       ARG 111  -0.974 -12.495  -6.815
  837   1HD   ARG 111          HD2       ARG 111  -1.850 -10.382  -7.760
  838   2HD   ARG 111          HD1       ARG 111  -0.339 -10.187  -8.648
  839    HE   ARG 111           HE       ARG 111  -1.485 -12.710  -9.207
  840   1HH1  ARG 111          HH11      ARG 111  -1.885  -9.315  -9.885
  841   2HH1  ARG 111          HH12      ARG 111  -2.655  -9.580 -11.414
  842   1HH2  ARG 111          HH21      ARG 111  -2.498 -13.068 -11.216
  843   2HH2  ARG 111          HH22      ARG 111  -3.004 -11.713 -12.170
  844    H    GLY 112           HN       GLY 112  -3.488  -9.979  -5.174
  845   1HA   GLY 112          HA2       GLY 112  -3.163  -7.229  -6.139
  846   2HA   GLY 112          HA1       GLY 112  -4.130  -8.339  -7.096
  847    H    VAL 113           HN       VAL 113  -4.249  -8.825  -3.723
  848    HA   VAL 113           HA       VAL 113  -5.853  -8.459  -2.125
  849    HB   VAL 113           HB       VAL 113  -6.842  -6.133  -3.724
  850   1HG1  VAL 113          HG11      VAL 113  -6.694  -6.688  -0.775
  851   2HG1  VAL 113          HG12      VAL 113  -8.143  -6.735  -1.779
  852   3HG1  VAL 113          HG13      VAL 113  -7.304  -5.207  -1.510
  853   1HG2  VAL 113          HG21      VAL 113  -5.144  -4.787  -2.455
  854   2HG2  VAL 113          HG22      VAL 113  -4.475  -5.842  -3.701
  855   3HG2  VAL 113          HG23      VAL 113  -4.377  -6.313  -2.003
  856    H    GLY 114           HN       GLY 114  -8.017  -8.881  -1.656
  857   1HA   GLY 114          HA2       GLY 114  -9.645  -9.533  -4.014
  858   2HA   GLY 114          HA1       GLY 114  -9.375 -10.748  -2.789
  859    H    TRP 115           HN       TRP 115 -10.781  -7.520  -3.255
  860    HA   TRP 115           HA       TRP 115 -12.081  -6.799  -1.145
  861   1HB   TRP 115          HB2       TRP 115 -12.863  -6.850  -3.924
  862   2HB   TRP 115          HB1       TRP 115 -14.274  -6.983  -2.884
  863    HD1  TRP 115           HD1      TRP 115 -13.139  -4.415  -4.737
  864    HE1  TRP 115           HE1      TRP 115 -13.146  -2.112  -3.592
  865    HE3  TRP 115           HE3      TRP 115 -13.335  -5.919   0.156
  866    HZ2  TRP 115           HZ2      TRP 115 -13.216  -1.067  -0.983
  867    HZ3  TRP 115           HZ3      TRP 115 -13.368  -4.191   1.913
  868    HH2  TRP 115           HH2      TRP 115 -13.309  -1.819   1.351
  869    H    SER 116           HN       SER 116 -13.484  -7.418   0.367
  870    HA   SER 116           HA       SER 116 -14.327 -10.179   0.415
  871   1HB   SER 116          HB2       SER 116 -13.482  -9.124   2.465
  872   2HB   SER 116          HB1       SER 116 -14.784  -7.936   2.404
  873    HG   SER 116           HG       SER 116 -15.153 -10.741   2.625
  874    H    HIS 117           HN       HIS 117 -15.741  -7.013  -0.077
  875    HA   HIS 117           HA       HIS 117 -18.019  -7.994  -1.405
  876   1HB   HIS 117          HB2       HIS 117 -18.553  -8.575   1.028
  877   2HB   HIS 117          HB1       HIS 117 -18.695  -6.842   1.300
  878    HD1  HIS 117           HD1      HIS 117 -20.514  -9.751  -0.033
  879    HD2  HIS 117           HD2      HIS 117 -20.888  -5.614  -0.092
  880    HE1  HIS 117           HE1      HIS 117 -22.867  -9.300  -0.792
  881    HE2  HIS 117           HE2      HIS 117 -23.048  -6.789  -0.892
  882    HA   PRO 118           HA       PRO 118 -17.792  -3.633  -2.363
  883   1HB   PRO 118          HB2       PRO 118 -19.210  -3.827  -4.686
  884   2HB   PRO 118          HB1       PRO 118 -17.522  -4.314  -4.527
  885   1HG   PRO 118          HG2       PRO 118 -19.850  -5.975  -4.958
  886   2HG   PRO 118          HG1       PRO 118 -18.144  -6.444  -4.956
  887   1HD   PRO 118          HD2       PRO 118 -20.150  -6.686  -2.822
  888   2HD   PRO 118          HD1       PRO 118 -18.599  -7.533  -3.011
  889    H    LEU 119           HN       LEU 119 -19.904  -2.540  -3.984
  890    HA   LEU 119           HA       LEU 119 -21.474  -1.212  -2.276
  891   1HB   LEU 119          HB2       LEU 119 -22.668  -2.215  -4.834
  892   2HB   LEU 119          HB1       LEU 119 -22.872  -0.666  -4.055
  893    HG   LEU 119           HG       LEU 119 -21.559  -0.138  -5.872
  894   1HD1  LEU 119          HD11      LEU 119 -19.283   0.308  -5.031
  895   2HD1  LEU 119          HD12      LEU 119 -19.646  -0.690  -3.620
  896   3HD1  LEU 119          HD13      LEU 119 -20.556   0.797  -3.911
  897   1HD2  LEU 119          HD21      LEU 119 -19.896  -2.592  -5.378
  898   2HD2  LEU 119          HD22      LEU 119 -19.707  -1.445  -6.704
  899   3HD2  LEU 119          HD23      LEU 119 -21.160  -2.439  -6.597
  900    HA   PRO 120           HA       PRO 120 -24.367  -4.102  -0.547
  901   1HB   PRO 120          HB2       PRO 120 -25.877  -1.909   0.537
  902   2HB   PRO 120          HB1       PRO 120 -24.712  -2.943   1.365
  903   1HG   PRO 120          HG2       PRO 120 -24.319  -0.270   0.871
  904   2HG   PRO 120          HG1       PRO 120 -23.011  -1.443   1.107
  905   1HD   PRO 120          HD2       PRO 120 -24.130  -0.339  -1.445
  906   2HD   PRO 120          HD1       PRO 120 -22.436  -0.636  -0.993
  907    H    GLN 121           HN       GLN 121 -27.047  -2.690  -0.020
  908    HA   GLN 121           HA       GLN 121 -28.159  -2.769  -2.741
  909   1HB   GLN 121          HB2       GLN 121 -28.415  -4.964  -1.400
  910   2HB   GLN 121          HB1       GLN 121 -29.572  -4.070  -0.429
  911   1HG   GLN 121          HG2       GLN 121 -30.873  -3.594  -2.469
  912   2HG   GLN 121          HG1       GLN 121 -29.745  -4.591  -3.386
  913   1HE2  GLN 121          HE21      GLN 121 -29.422  -6.501  -1.199
  914   2HE2  GLN 121          HE22      GLN 121 -30.866  -7.449  -1.178
  915    H    CYS 122           HN       CYS 122 -29.134  -0.840  -3.077
  916    HA   CYS 122           HA       CYS 122 -30.313   0.527  -0.777
  917   1HB   CYS 122          HB2       CYS 122 -29.011   1.381  -3.267
  918   2HB   CYS 122          HB1       CYS 122 -30.444   2.311  -2.836
  919    H    GLU 123           HN       GLU 123 -32.429   0.185  -0.471
  920    HA   GLU 123           HA       GLU 123 -34.217   0.204  -2.808
  921   1HB   GLU 123          HB2       GLU 123 -33.985  -2.113  -2.058
  922   2HB   GLU 123          HB1       GLU 123 -34.365  -1.631  -0.410
  923   1HG   GLU 123          HG2       GLU 123 -36.603  -1.012  -1.063
  924   2HG   GLU 123          HG1       GLU 123 -36.235  -1.358  -2.752
  925    H    ILE 124           HN       ILE 124 -36.106   1.193  -2.579
  926    HA   ILE 124           HA       ILE 124 -36.231   3.402  -0.869
  927    HB   ILE 124           HB       ILE 124 -37.371   3.186  -3.080
  928   1HG1  ILE 124          HG12      ILE 124 -39.215   3.944  -0.809
  929   2HG1  ILE 124          HG11      ILE 124 -37.929   4.967  -1.427
  930   1HG2  ILE 124          HG21      ILE 124 -39.487   2.066  -3.257
  931   2HG2  ILE 124          HG22      ILE 124 -39.445   1.626  -1.550
  932   3HG2  ILE 124          HG23      ILE 124 -38.284   0.917  -2.672
  933   1HD1  ILE 124          HD11      ILE 124 -39.035   5.004  -3.614
  934   2HD1  ILE 124          HD12      ILE 124 -40.047   5.660  -2.327
  935   3HD1  ILE 124          HD13      ILE 124 -40.349   4.035  -2.945
  936    H    LEU 125           HN       LEU 125 -37.577   3.896   0.875
  937    HA   LEU 125           HA       LEU 125 -37.963   1.781   2.743
  938   1HB   LEU 125          HB2       LEU 125 -39.012   4.606   2.898
  939   2HB   LEU 125          HB1       LEU 125 -38.802   3.491   4.233
  940    HG   LEU 125           HG       LEU 125 -36.561   4.668   2.583
  941   1HD1  LEU 125          HD11      LEU 125 -36.058   6.000   4.542
  942   2HD1  LEU 125          HD12      LEU 125 -37.427   5.296   5.401
  943   3HD1  LEU 125          HD13      LEU 125 -37.703   6.324   3.995
  944   1HD2  LEU 125          HD21      LEU 125 -35.095   3.704   4.280
  945   2HD2  LEU 125          HD22      LEU 125 -36.029   2.452   3.459
  946   3HD2  LEU 125          HD23      LEU 125 -36.490   2.977   5.079
  947    H    GLU 126           HN       GLU 126 -40.344   4.111   1.457
  948    HA   GLU 126           HA       GLU 126 -42.538   2.402   2.157
  949   1HB   GLU 126          HB2       GLU 126 -42.689   4.879   2.195
  950   2HB   GLU 126          HB1       GLU 126 -42.524   4.896   0.444
  951   1HG   GLU 126          HG2       GLU 126 -44.610   3.764   0.170
  952   2HG   GLU 126          HG1       GLU 126 -44.750   3.498   1.907
  953    H    HIS 127           HN       HIS 127 -44.117   1.576   0.641
  954    HA   HIS 127           HA       HIS 127 -42.857   0.262  -1.581
  955   1HB   HIS 127          HB2       HIS 127 -45.771   0.240  -0.772
  956   2HB   HIS 127          HB1       HIS 127 -44.971  -0.903  -1.847
  957    HD1  HIS 127           HD1      HIS 127 -45.303   0.006   1.771
  958    HD2  HIS 127           HD2      HIS 127 -43.508  -2.912  -0.582
  959    HE1  HIS 127           HE1      HIS 127 -44.559  -1.785   3.372
  960    HE2  HIS 127           HE2      HIS 127 -43.431  -3.518   1.932
  961    H    HIS 128           HN       HIS 128 -43.919   3.304  -1.306
  962    HA   HIS 128           HA       HIS 128 -45.602   3.672  -3.542
  963   1HB   HIS 128          HB2       HIS 128 -45.378   5.357  -1.775
  964   2HB   HIS 128          HB1       HIS 128 -43.698   5.623  -2.227
  965    HD1  HIS 128           HD1      HIS 128 -47.184   6.460  -3.215
  966    HD2  HIS 128           HD2      HIS 128 -43.321   7.103  -4.604
  967    HE1  HIS 128           HE1      HIS 128 -47.388   8.258  -4.961
  968    HE2  HIS 128           HE2      HIS 128 -45.047   8.590  -5.830
  969    H    HIS 129           HN       HIS 129 -45.017   2.982  -5.504
  970    HA   HIS 129           HA       HIS 129 -42.508   4.010  -6.618
  971   1HB   HIS 129          HB2       HIS 129 -42.103   1.676  -5.918
  972   2HB   HIS 129          HB1       HIS 129 -43.448   1.150  -6.925
  973    HD1  HIS 129           HD1      HIS 129 -43.089   1.213  -9.509
  974    HD2  HIS 129           HD2      HIS 129 -39.726   2.178  -7.265
  975    HE1  HIS 129           HE1      HIS 129 -41.157   1.110 -11.115
  976    HE2  HIS 129           HE2      HIS 129 -39.143   1.769  -9.752
  977    H    HIS 130           HN       HIS 130 -45.645   2.490  -7.231
  978    HA   HIS 130           HA       HIS 130 -45.633   3.543  -9.963
  979   1HB   HIS 130          HB2       HIS 130 -47.481   1.602  -8.565
  980   2HB   HIS 130          HB1       HIS 130 -47.719   2.171 -10.215
  981    HD1  HIS 130           HD1      HIS 130 -45.815  -0.262  -8.201
  982    HD2  HIS 130           HD2      HIS 130 -45.751   1.241 -12.074
  983    HE1  HIS 130           HE1      HIS 130 -44.370  -1.847  -9.514
  984    HE2  HIS 130           HE2      HIS 130 -44.282  -0.873 -11.835
  985    H    HIS 131           HN       HIS 131 -48.268   3.910 -10.470
  986    HA   HIS 131           HA       HIS 131 -48.858   6.301  -8.886
  987   1HB   HIS 131          HB2       HIS 131 -50.372   6.883 -10.778
  988   2HB   HIS 131          HB1       HIS 131 -48.693   6.684 -11.268
  989    HD1  HIS 131           HD1      HIS 131 -52.087   5.275 -11.758
  990    HD2  HIS 131           HD2      HIS 131 -48.177   4.379 -12.841
  991    HE1  HIS 131           HE1      HIS 131 -52.272   3.543 -13.572
  992    HE2  HIS 131           HE2      HIS 131 -49.892   2.941 -14.137
  993    H    HIS 132           HN       HIS 132 -51.365   6.771  -8.901
  994    HA   HIS 132           HA       HIS 132 -52.671   4.361  -7.820
  995   1HB   HIS 132          HB2       HIS 132 -52.243   6.139  -6.155
  996   2HB   HIS 132          HB1       HIS 132 -53.194   7.260  -7.124
  997    HD1  HIS 132           HD1      HIS 132 -53.519   4.387  -4.770
  998    HD2  HIS 132           HD2      HIS 132 -55.978   6.900  -6.984
  999    HE1  HIS 132           HE1      HIS 132 -55.841   4.008  -3.883
 1000    HE2  HIS 132           HE2      HIS 132 -57.323   5.476  -5.296
  Start of MODEL   18
    1   1H    MET   0           HT1      MET   0  33.558  -5.445  -2.274
    2   2H    MET   0           HT2      MET   0  33.197  -3.995  -3.065
    3   3H    MET   0           HT3      MET   0  32.000  -5.175  -2.878
    4    HA   MET   0           HA       MET   0  32.085  -4.906  -0.476
    5   1HB   MET   0          HB2       MET   0  34.397  -4.154  -0.302
    6   2HB   MET   0          HB1       MET   0  34.010  -2.678  -1.175
    7   1HG   MET   0          HG2       MET   0  34.212  -2.306   1.230
    8   2HG   MET   0          HG1       MET   0  32.593  -1.937   0.635
    9   1HE   MET   0          HE1       MET   0  33.613  -5.838   2.881
   10   2HE   MET   0          HE2       MET   0  34.818  -4.641   2.403
   11   3HE   MET   0          HE3       MET   0  33.977  -5.585   1.174
   12    H    ASN   1           HN       ASN   1  32.563  -1.769  -2.068
   13    HA   ASN   1           HA       ASN   1  30.067  -0.769  -1.166
   14   1HB   ASN   1          HB2       ASN   1  32.225   0.218  -2.979
   15   2HB   ASN   1          HB1       ASN   1  30.660   1.026  -3.019
   16   1HD2  ASN   1          HD21      ASN   1  30.156   0.443  -0.200
   17   2HD2  ASN   1          HD22      ASN   1  31.131   1.550   0.696
   18    H    CYS   2           HN       CYS   2  28.256  -0.108  -2.431
   19    HA   CYS   2           HA       CYS   2  27.797  -1.884  -4.729
   20   1HB   CYS   2          HB2       CYS   2  25.694  -0.431  -3.124
   21   2HB   CYS   2          HB1       CYS   2  25.459  -1.765  -4.249
   22    H    GLY   3           HN       GLY   3  26.164  -0.933  -6.361
   23   1HA   GLY   3          HA2       GLY   3  27.193   1.545  -7.332
   24   2HA   GLY   3          HA1       GLY   3  25.833   0.653  -8.005
   25    HA   PRO   4           HA       PRO   4  24.849   4.807  -5.501
   26   1HB   PRO   4          HB2       PRO   4  23.697   5.147  -8.254
   27   2HB   PRO   4          HB1       PRO   4  24.257   6.381  -7.117
   28   1HG   PRO   4          HG2       PRO   4  25.820   5.611  -9.126
   29   2HG   PRO   4          HG1       PRO   4  26.503   5.918  -7.520
   30   1HD   PRO   4          HD2       PRO   4  26.052   3.339  -8.919
   31   2HD   PRO   4          HD1       PRO   4  27.257   3.762  -7.687
   32    HA   PRO   5           HA       PRO   5  21.114   2.830  -4.173
   33   1HB   PRO   5          HB2       PRO   5  20.239   5.680  -3.909
   34   2HB   PRO   5          HB1       PRO   5  20.080   4.343  -2.763
   35   1HG   PRO   5          HG2       PRO   5  21.974   6.176  -2.433
   36   2HG   PRO   5          HG1       PRO   5  22.310   4.464  -2.114
   37   1HD   PRO   5          HD2       PRO   5  23.152   6.168  -4.400
   38   2HD   PRO   5          HD1       PRO   5  23.992   4.801  -3.642
   39    HA   PRO   6           HA       PRO   6  18.998   3.074  -8.197
   40   1HB   PRO   6          HB2       PRO   6  17.372   0.918  -7.571
   41   2HB   PRO   6          HB1       PRO   6  18.948   0.795  -8.360
   42   1HG   PRO   6          HG2       PRO   6  18.208   0.381  -5.498
   43   2HG   PRO   6          HG1       PRO   6  19.391  -0.489  -6.494
   44   1HD   PRO   6          HD2       PRO   6  20.138   1.349  -4.677
   45   2HD   PRO   6          HD1       PRO   6  21.018   1.121  -6.202
   46    H    THR   7           HN       THR   7  16.564   2.709  -8.619
   47    HA   THR   7           HA       THR   7  15.118   4.532  -6.836
   48    HB   THR   7           HB       THR   7  15.241   5.144  -9.230
   49    HG1  THR   7           HG1      THR   7  12.755   4.552  -8.023
   50   1HG2  THR   7          HG21      THR   7  15.294   2.912 -10.206
   51   2HG2  THR   7          HG22      THR   7  13.962   3.851 -10.882
   52   3HG2  THR   7          HG23      THR   7  13.643   2.620  -9.661
   53    H    LEU   8           HN       LEU   8  13.426   3.822  -5.627
   54    HA   LEU   8           HA       LEU   8  12.548   1.059  -6.099
   55   1HB   LEU   8          HB2       LEU   8  12.346   2.691  -3.572
   56   2HB   LEU   8          HB1       LEU   8  11.871   1.014  -3.758
   57    HG   LEU   8           HG       LEU   8  14.650   2.166  -3.751
   58   1HD1  LEU   8          HD11      LEU   8  13.375  -0.038  -2.139
   59   2HD1  LEU   8          HD12      LEU   8  13.584   1.626  -1.592
   60   3HD1  LEU   8          HD13      LEU   8  14.996   0.623  -1.927
   61   1HD2  LEU   8          HD21      LEU   8  14.619   0.637  -5.590
   62   2HD2  LEU   8          HD22      LEU   8  13.769  -0.575  -4.631
   63   3HD2  LEU   8          HD23      LEU   8  15.431  -0.141  -4.231
   64    H    SER   9           HN       SER   9  10.698   0.981  -7.202
   65    HA   SER   9           HA       SER   9   8.795   3.125  -7.119
   66   1HB   SER   9          HB2       SER   9   7.467   1.740  -8.641
   67   2HB   SER   9          HB1       SER   9   9.150   1.764  -9.167
   68    HG   SER   9           HG       SER   9   9.293  -0.265  -7.858
   69    H    PHE  10           HN       PHE  10   9.563   0.811  -4.988
   70    HA   PHE  10           HA       PHE  10   6.825   0.645  -3.928
   71   1HB   PHE  10          HB2       PHE  10   7.663  -1.439  -2.728
   72   2HB   PHE  10          HB1       PHE  10   7.443  -1.584  -4.468
   73    HD1  PHE  10           HD1      PHE  10   9.723  -1.879  -1.733
   74    HD2  PHE  10           HD2      PHE  10   9.478  -1.405  -5.953
   75    HE1  PHE  10           HE1      PHE  10  12.046  -2.659  -1.951
   76    HE2  PHE  10           HE2      PHE  10  11.802  -2.184  -6.180
   77    HZ   PHE  10           HZ       PHE  10  13.088  -2.813  -4.175
   78    H    ALA  11           HN       ALA  11   8.404   2.819  -3.517
   79    HA   ALA  11           HA       ALA  11   8.257   3.503  -0.965
   80   1HB   ALA  11          HB1       ALA  11  11.072   2.456  -1.250
   81   2HB   ALA  11          HB2       ALA  11   9.783   1.515  -0.503
   82   3HB   ALA  11          HB3       ALA  11  10.277   3.052   0.207
   83    H    ALA  12           HN       ALA  12  10.620   4.856  -0.432
   84    HA   ALA  12           HA       ALA  12  11.524   6.315  -2.649
   85   1HB   ALA  12          HB1       ALA  12   9.496   7.809  -0.982
   86   2HB   ALA  12          HB2       ALA  12   9.216   7.200  -2.613
   87   3HB   ALA  12          HB3       ALA  12  10.429   8.449  -2.335
   88    HA   PRO  13           HA       PRO  13  14.783   7.075   0.251
   89   1HB   PRO  13          HB2       PRO  13  15.004   9.678  -1.198
   90   2HB   PRO  13          HB1       PRO  13  16.258   8.493  -0.815
   91   1HG   PRO  13          HG2       PRO  13  15.273   8.676  -3.282
   92   2HG   PRO  13          HG1       PRO  13  15.662   7.099  -2.572
   93   1HD   PRO  13          HD2       PRO  13  13.006   8.378  -3.012
   94   2HD   PRO  13          HD1       PRO  13  13.460   6.664  -3.080
   95    H    MET  14           HN       MET  14  15.133   8.229   2.141
   96    HA   MET  14           HA       MET  14  13.603  10.622   2.684
   97   1HB   MET  14          HB2       MET  14  11.959   8.898   3.161
   98   2HB   MET  14          HB1       MET  14  13.097   8.067   4.210
   99   1HG   MET  14          HG2       MET  14  13.086   9.975   5.732
  100   2HG   MET  14          HG1       MET  14  11.931  10.798   4.684
  101   1HE   MET  14          HE1       MET  14  11.499  10.181   7.891
  102   2HE   MET  14          HE2       MET  14   9.767   9.849   7.814
  103   3HE   MET  14          HE3       MET  14  10.459  11.156   6.852
  104    H    ASP  15           HN       ASP  15  16.099   8.396   3.426
  105    HA   ASP  15           HA       ASP  15  17.500  10.375   4.964
  106   1HB   ASP  15          HB2       ASP  15  15.993   9.335   6.651
  107   2HB   ASP  15          HB1       ASP  15  16.764   7.786   6.335
  108    H    ILE  16           HN       ILE  16  19.130  10.175   3.472
  109    HA   ILE  16           HA       ILE  16  21.025   8.118   3.896
  110    HB   ILE  16           HB       ILE  16  19.637   6.787   2.519
  111   1HG1  ILE  16          HG12      ILE  16  20.994   6.533   0.420
  112   2HG1  ILE  16          HG11      ILE  16  21.894   7.963   0.907
  113   1HG2  ILE  16          HG21      ILE  16  18.202   8.497   1.644
  114   2HG2  ILE  16          HG22      ILE  16  18.837   7.519   0.317
  115   3HG2  ILE  16          HG23      ILE  16  19.511   9.118   0.637
  116   1HD1  ILE  16          HD11      ILE  16  21.689   5.437   2.524
  117   2HD1  ILE  16          HD12      ILE  16  22.684   6.849   2.881
  118   3HD1  ILE  16          HD13      ILE  16  23.036   5.860   1.464
  119    H    THR  17           HN       THR  17  19.940  10.983   2.552
  120    HA   THR  17           HA       THR  17  20.870  12.687   1.353
  121    HB   THR  17           HB       THR  17  23.279  13.189   1.971
  122    HG1  THR  17           HG1      THR  17  23.766  11.984   4.064
  123   1HG2  THR  17          HG21      THR  17  22.678  13.991   4.202
  124   2HG2  THR  17          HG22      THR  17  21.270  12.929   4.210
  125   3HG2  THR  17          HG23      THR  17  21.363  14.263   3.059
  126    H    LEU  18           HN       LEU  18  20.862  12.171  -0.748
  127    HA   LEU  18           HA       LEU  18  22.601  10.215  -1.850
  128   1HB   LEU  18          HB2       LEU  18  20.426  11.954  -2.771
  129   2HB   LEU  18          HB1       LEU  18  21.615  11.556  -3.993
  130    HG   LEU  18           HG       LEU  18  19.784   9.980  -4.110
  131   1HD1  LEU  18          HD11      LEU  18  21.792   8.948  -4.698
  132   2HD1  LEU  18          HD12      LEU  18  21.078   7.844  -3.521
  133   3HD1  LEU  18          HD13      LEU  18  22.379   8.932  -3.035
  134   1HD2  LEU  18          HD21      LEU  18  19.230   8.518  -2.230
  135   2HD2  LEU  18          HD22      LEU  18  18.957  10.213  -1.828
  136   3HD2  LEU  18          HD23      LEU  18  20.387   9.380  -1.217
  137    H    THR  19           HN       THR  19  24.034  12.270  -0.543
  138    HA   THR  19           HA       THR  19  25.199  13.915  -2.650
  139    HB   THR  19           HB       THR  19  26.329  15.117  -0.940
  140    HG1  THR  19           HG1      THR  19  25.649  12.924   0.748
  141   1HG2  THR  19          HG21      THR  19  24.509  15.677   0.665
  142   2HG2  THR  19          HG22      THR  19  23.591  14.302   0.045
  143   3HG2  THR  19          HG23      THR  19  23.978  15.656  -1.017
  144    H    GLU  20           HN       GLU  20  25.580  10.860  -1.499
  145    HA   GLU  20           HA       GLU  20  28.490  10.810  -1.908
  146   1HB   GLU  20          HB2       GLU  20  26.655   8.757  -0.661
  147   2HB   GLU  20          HB1       GLU  20  28.393   8.572  -0.850
  148   1HG   GLU  20          HG2       GLU  20  28.748  10.510   0.608
  149   2HG   GLU  20          HG1       GLU  20  27.003  10.657   0.817
  150    H    THR  21           HN       THR  21  28.764   8.127  -2.531
  151    HA   THR  21           HA       THR  21  27.213   7.673  -4.968
  152    HB   THR  21           HB       THR  21  29.535   7.006  -6.010
  153    HG1  THR  21           HG1      THR  21  30.421   7.917  -3.818
  154   1HG2  THR  21          HG21      THR  21  28.535   9.849  -5.816
  155   2HG2  THR  21          HG22      THR  21  28.045   8.637  -7.001
  156   3HG2  THR  21          HG23      THR  21  29.692   9.268  -7.013
  157    H    ARG  22           HN       ARG  22  29.448   6.529  -2.543
  158    HA   ARG  22           HA       ARG  22  28.692   3.755  -3.181
  159   1HB   ARG  22          HB2       ARG  22  31.328   4.638  -2.017
  160   2HB   ARG  22          HB1       ARG  22  30.874   3.011  -2.501
  161   1HG   ARG  22          HG2       ARG  22  30.811   3.667  -4.819
  162   2HG   ARG  22          HG1       ARG  22  31.115   5.350  -4.382
  163   1HD   ARG  22          HD2       ARG  22  33.151   4.274  -5.184
  164   2HD   ARG  22          HD1       ARG  22  33.300   4.733  -3.488
  165    HE   ARG  22           HE       ARG  22  32.436   2.128  -3.469
  166   1HH1  ARG  22          HH11      ARG  22  35.179   3.848  -4.761
  167   2HH1  ARG  22          HH12      ARG  22  36.256   2.499  -4.615
  168   1HH2  ARG  22          HH21      ARG  22  33.844   0.350  -3.272
  169   2HH2  ARG  22          HH22      ARG  22  35.497   0.507  -3.769
  170    H    PHE  23           HN       PHE  23  28.688   2.296  -1.279
  171    HA   PHE  23           HA       PHE  23  28.647   3.495   1.355
  172   1HB   PHE  23          HB2       PHE  23  26.144   2.127   0.352
  173   2HB   PHE  23          HB1       PHE  23  26.372   2.956   1.886
  174    HD1  PHE  23           HD1      PHE  23  25.863   5.229   2.105
  175    HD2  PHE  23           HD2      PHE  23  26.194   3.502  -1.768
  176    HE1  PHE  23           HE1      PHE  23  25.006   7.308   1.106
  177    HE2  PHE  23           HE2      PHE  23  25.347   5.572  -2.773
  178    HZ   PHE  23           HZ       PHE  23  24.743   7.482  -1.337
  179    H    LYS  24           HN       LYS  24  29.787   2.070   2.509
  180    HA   LYS  24           HA       LYS  24  30.541  -0.466   1.739
  181   1HB   LYS  24          HB2       LYS  24  30.896  -0.837   4.274
  182   2HB   LYS  24          HB1       LYS  24  31.827   0.395   3.438
  183   1HG   LYS  24          HG2       LYS  24  30.321   2.118   4.269
  184   2HG   LYS  24          HG1       LYS  24  29.347   0.887   5.074
  185   1HD   LYS  24          HD2       LYS  24  30.749   1.827   6.738
  186   2HD   LYS  24          HD1       LYS  24  31.421   0.243   6.353
  187   1HE   LYS  24          HE2       LYS  24  32.404   2.796   5.098
  188   2HE   LYS  24          HE1       LYS  24  33.084   2.131   6.582
  189   1HZ   LYS  24          HZ1       LYS  24  33.063   0.857   3.903
  190   2HZ   LYS  24          HZ2       LYS  24  33.554   0.069   5.315
  191   3HZ   LYS  24          HZ3       LYS  24  34.412   1.416   4.757
  192    H    THR  25           HN       THR  25  30.148  -2.527   2.952
  193    HA   THR  25           HA       THR  25  27.444  -3.289   2.612
  194    HB   THR  25           HB       THR  25  28.352  -5.385   3.899
  195    HG1  THR  25           HG1      THR  25  30.438  -5.390   4.251
  196   1HG2  THR  25          HG21      THR  25  27.742  -5.295   1.501
  197   2HG2  THR  25          HG22      THR  25  29.148  -6.320   1.789
  198   3HG2  THR  25          HG23      THR  25  29.357  -4.692   1.137
  199    H    GLY  26           HN       GLY  26  28.757  -1.562   5.055
  200   1HA   GLY  26          HA2       GLY  26  27.145  -2.849   7.158
  201   2HA   GLY  26          HA1       GLY  26  28.433  -1.683   7.437
  202    H    THR  27           HN       THR  27  27.123  -0.329   4.964
  203    HA   THR  27           HA       THR  27  25.763   1.697   6.394
  204    HB   THR  27           HB       THR  27  26.909   1.829   4.082
  205    HG1  THR  27           HG1      THR  27  25.148   3.467   3.488
  206   1HG2  THR  27          HG21      THR  27  25.231   0.017   3.235
  207   2HG2  THR  27          HG22      THR  27  25.708   1.344   2.175
  208   3HG2  THR  27          HG23      THR  27  24.152   1.397   3.012
  209    H    THR  28           HN       THR  28  23.496   2.418   5.902
  210    HA   THR  28           HA       THR  28  21.606   0.426   5.062
  211    HB   THR  28           HB       THR  28  21.603   1.259   7.970
  212    HG1  THR  28           HG1      THR  28  22.594  -0.575   8.310
  213   1HG2  THR  28          HG21      THR  28  19.737  -0.631   6.537
  214   2HG2  THR  28          HG22      THR  28  19.344   1.042   6.931
  215   3HG2  THR  28          HG23      THR  28  19.648  -0.120   8.223
  216    H    LEU  29           HN       LEU  29  19.979   1.432   4.099
  217    HA   LEU  29           HA       LEU  29  19.708   4.301   4.419
  218   1HB   LEU  29          HB2       LEU  29  18.464   2.328   2.515
  219   2HB   LEU  29          HB1       LEU  29  17.959   4.006   2.585
  220    HG   LEU  29           HG       LEU  29  20.408   4.598   2.139
  221   1HD1  LEU  29          HD11      LEU  29  21.668   2.836   0.936
  222   2HD1  LEU  29          HD12      LEU  29  20.443   1.671   1.437
  223   3HD1  LEU  29          HD13      LEU  29  21.430   2.489   2.648
  224   1HD2  LEU  29          HD21      LEU  29  18.831   3.147   0.018
  225   2HD2  LEU  29          HD22      LEU  29  20.156   4.275  -0.272
  226   3HD2  LEU  29          HD23      LEU  29  18.657   4.844   0.465
  227    H    LYS  30           HN       LYS  30  17.105   4.832   3.962
  228    HA   LYS  30           HA       LYS  30  15.702   3.643   6.265
  229   1HB   LYS  30          HB2       LYS  30  16.518   6.124   6.351
  230   2HB   LYS  30          HB1       LYS  30  15.143   6.424   5.292
  231   1HG   LYS  30          HG2       LYS  30  14.519   6.861   7.571
  232   2HG   LYS  30          HG1       LYS  30  13.650   5.442   6.982
  233   1HD   LYS  30          HD2       LYS  30  15.154   3.971   8.155
  234   2HD   LYS  30          HD1       LYS  30  16.169   5.332   8.636
  235   1HE   LYS  30          HE2       LYS  30  14.767   4.660  10.488
  236   2HE   LYS  30          HE1       LYS  30  14.286   6.257   9.919
  237   1HZ   LYS  30          HZ1       LYS  30  12.914   3.682   9.383
  238   2HZ   LYS  30          HZ2       LYS  30  12.511   5.137   8.622
  239   3HZ   LYS  30          HZ3       LYS  30  12.332   4.983  10.296
  240    H    TYR  31           HN       TYR  31  14.722   5.857   3.683
  241    HA   TYR  31           HA       TYR  31  13.143   5.751   2.066
  242   1HB   TYR  31          HB2       TYR  31  13.855   2.911   2.449
  243   2HB   TYR  31          HB1       TYR  31  12.298   3.207   1.679
  244    HD1  TYR  31           HD1      TYR  31  15.932   3.896   1.417
  245    HD2  TYR  31           HD2      TYR  31  12.173   3.891  -0.575
  246    HE1  TYR  31           HE1      TYR  31  17.071   4.286  -0.729
  247    HE2  TYR  31           HE2      TYR  31  13.300   4.280  -2.722
  248    HH   TYR  31           HH       TYR  31  15.403   5.181  -3.562
  249    H    THR  32           HN       THR  32  11.036   6.142   2.025
  250    HA   THR  32           HA       THR  32   9.424   5.292   4.335
  251    HB   THR  32           HB       THR  32   9.453   7.597   4.481
  252    HG1  THR  32           HG1      THR  32   7.293   7.214   2.664
  253   1HG2  THR  32          HG21      THR  32   9.246   9.085   2.448
  254   2HG2  THR  32          HG22      THR  32   9.477   7.633   1.469
  255   3HG2  THR  32          HG23      THR  32  10.745   8.162   2.578
  256    H    CYS  33           HN       CYS  33   6.912   5.547   3.644
  257    HA   CYS  33           HA       CYS  33   6.578   4.147   1.074
  258   1HB   CYS  33          HB2       CYS  33   4.961   3.471   3.525
  259   2HB   CYS  33          HB1       CYS  33   5.084   2.568   2.019
  260    H    LEU  34           HN       LEU  34   5.643   5.550  -0.117
  261    HA   LEU  34           HA       LEU  34   4.121   7.720   0.357
  262   1HB   LEU  34          HB2       LEU  34   3.486   5.819  -1.895
  263   2HB   LEU  34          HB1       LEU  34   3.197   7.548  -1.857
  264    HG   LEU  34           HG       LEU  34   5.946   6.290  -1.789
  265   1HD1  LEU  34          HD11      LEU  34   6.103   7.118  -4.134
  266   2HD1  LEU  34          HD12      LEU  34   4.367   7.429  -4.088
  267   3HD1  LEU  34          HD13      LEU  34   4.973   5.781  -3.912
  268   1HD2  LEU  34          HD21      LEU  34   5.698   8.551  -0.769
  269   2HD2  LEU  34          HD22      LEU  34   5.150   9.140  -2.339
  270   3HD2  LEU  34          HD23      LEU  34   6.780   8.491  -2.160
  271    HA   PRO  35           HA       PRO  35   0.312   7.025   2.354
  272   1HB   PRO  35          HB2       PRO  35  -0.906   8.416   0.006
  273   2HB   PRO  35          HB1       PRO  35  -1.151   8.698   1.733
  274   1HG   PRO  35          HG2       PRO  35   0.410  10.316   0.324
  275   2HG   PRO  35          HG1       PRO  35   0.871   9.826   1.964
  276   1HD   PRO  35          HD2       PRO  35   1.947   8.917  -0.661
  277   2HD   PRO  35          HD1       PRO  35   2.781   9.120   0.893
  278    H    GLY  36           HN       GLY  36  -0.332   4.955   2.372
  279   1HA   GLY  36          HA2       GLY  36  -2.294   3.627   1.768
  280   2HA   GLY  36          HA1       GLY  36  -2.015   4.093   0.102
  281    H    TYR  37           HN       TYR  37   0.891   3.616   0.313
  282    HA   TYR  37           HA       TYR  37   1.451   1.423  -0.886
  283   1HB   TYR  37          HB2       TYR  37   2.845   2.845   1.201
  284   2HB   TYR  37          HB1       TYR  37   3.285   1.138   1.179
  285    HD1  TYR  37           HD1      TYR  37   3.470   4.307  -0.580
  286    HD2  TYR  37           HD2      TYR  37   4.267   0.143  -0.854
  287    HE1  TYR  37           HE1      TYR  37   4.909   4.714  -2.525
  288    HE2  TYR  37           HE2      TYR  37   5.708   0.540  -2.798
  289    HH   TYR  37           HH       TYR  37   6.714   3.682  -3.723
  290    H    VAL  38           HN       VAL  38   0.206   1.169   2.444
  291    HA   VAL  38           HA       VAL  38  -0.794  -0.662   3.395
  292    HB   VAL  38           HB       VAL  38  -0.362  -1.697   0.618
  293   1HG1  VAL  38          HG11      VAL  38  -1.277  -3.408   2.919
  294   2HG1  VAL  38          HG12      VAL  38   0.219  -3.593   2.003
  295   3HG1  VAL  38          HG13      VAL  38  -1.337  -3.853   1.210
  296   1HG2  VAL  38          HG21      VAL  38  -2.802  -1.396   2.353
  297   2HG2  VAL  38          HG22      VAL  38  -2.793  -1.954   0.680
  298   3HG2  VAL  38          HG23      VAL  38  -2.295  -0.305   1.064
  299    H    ARG  39           HN       ARG  39  -0.014  -2.429   4.672
  300    HA   ARG  39           HA       ARG  39   2.841  -2.985   4.254
  301   1HB   ARG  39          HB2       ARG  39   1.455  -2.434   6.877
  302   2HB   ARG  39          HB1       ARG  39   3.107  -3.016   6.734
  303   1HG   ARG  39          HG2       ARG  39   3.689  -0.978   5.476
  304   2HG   ARG  39          HG1       ARG  39   2.042  -0.392   5.712
  305   1HD   ARG  39          HD2       ARG  39   4.024  -1.027   7.895
  306   2HD   ARG  39          HD1       ARG  39   3.580   0.587   7.341
  307    HE   ARG  39           HE       ARG  39   1.289  -0.876   8.159
  308   1HH1  ARG  39          HH11      ARG  39   4.044   0.867   9.386
  309   2HH1  ARG  39          HH12      ARG  39   3.272   1.297  10.877
  310   1HH2  ARG  39          HH21      ARG  39   0.265  -0.316  10.123
  311   2HH2  ARG  39          HH22      ARG  39   1.126   0.623  11.296
  312    H    SER  40           HN       SER  40   3.683  -4.898   5.112
  313    HA   SER  40           HA       SER  40   1.831  -7.001   5.913
  314   1HB   SER  40          HB2       SER  40   1.982  -7.110   3.416
  315   2HB   SER  40          HB1       SER  40   3.724  -7.332   3.568
  316    HG   SER  40           HG       SER  40   3.361  -9.272   4.626
  317    H    HIS  41           HN       HIS  41   4.366  -5.298   6.630
  318    HA   HIS  41           HA       HIS  41   6.143  -5.500   8.016
  319   1HB   HIS  41          HB2       HIS  41   5.500  -8.382   8.508
  320   2HB   HIS  41          HB1       HIS  41   6.216  -7.212   9.602
  321    HD1  HIS  41           HD1      HIS  41   3.132  -8.895   9.017
  322    HD2  HIS  41           HD2      HIS  41   4.189  -5.081  10.285
  323    HE1  HIS  41           HE1      HIS  41   1.087  -7.974  10.158
  324    HE2  HIS  41           HE2      HIS  41   1.732  -5.643  10.863
  325    H    SER  42           HN       SER  42   8.056  -5.449   7.141
  326    HA   SER  42           HA       SER  42   9.449  -7.791   6.307
  327   1HB   SER  42          HB2       SER  42   8.606  -5.797   4.194
  328   2HB   SER  42          HB1       SER  42   9.846  -7.029   3.955
  329    HG   SER  42           HG       SER  42   7.154  -7.260   3.830
  330    H    THR  43           HN       THR  43   9.219  -4.757   7.446
  331    HA   THR  43           HA       THR  43  10.726  -3.213   8.207
  332    HB   THR  43           HB       THR  43  12.693  -5.336   7.384
  333    HG1  THR  43           HG1      THR  43  12.417  -4.700  10.043
  334   1HG2  THR  43          HG21      THR  43  13.133  -2.667   8.681
  335   2HG2  THR  43          HG22      THR  43  14.020  -3.413   7.352
  336   3HG2  THR  43          HG23      THR  43  14.223  -4.018   8.995
  337    H    GLN  44           HN       GLN  44  11.917  -1.447   7.399
  338    HA   GLN  44           HA       GLN  44  12.287  -1.466   4.480
  339   1HB   GLN  44          HB2       GLN  44  11.838   1.045   4.670
  340   2HB   GLN  44          HB1       GLN  44  10.464  -0.039   4.846
  341   1HG   GLN  44          HG2       GLN  44  11.968   1.046   7.205
  342   2HG   GLN  44          HG1       GLN  44  10.615   1.899   6.464
  343   1HE2  GLN  44          HE21      GLN  44   9.230  -0.595   5.805
  344   2HE2  GLN  44          HE22      GLN  44   8.569  -1.178   7.291
  345    H    THR  45           HN       THR  45  14.462  -1.921   4.466
  346    HA   THR  45           HA       THR  45  16.191   0.300   5.078
  347    HB   THR  45           HB       THR  45  17.822  -1.232   6.322
  348    HG1  THR  45           HG1      THR  45  16.174  -2.747   7.598
  349   1HG2  THR  45          HG21      THR  45  16.849  -0.708   8.475
  350   2HG2  THR  45          HG22      THR  45  15.262  -0.489   7.738
  351   3HG2  THR  45          HG23      THR  45  16.571   0.634   7.363
  352    H    LEU  46           HN       LEU  46  17.845   0.410   3.679
  353    HA   LEU  46           HA       LEU  46  18.232  -1.859   1.839
  354   1HB   LEU  46          HB2       LEU  46  18.383   1.089   1.531
  355   2HB   LEU  46          HB1       LEU  46  19.562   0.154   0.633
  356    HG   LEU  46           HG       LEU  46  17.782  -1.055  -0.510
  357   1HD1  LEU  46          HD11      LEU  46  15.428  -0.324  -0.207
  358   2HD1  LEU  46          HD12      LEU  46  15.944   0.600   1.204
  359   3HD1  LEU  46          HD13      LEU  46  16.108  -1.156   1.191
  360   1HD2  LEU  46          HD21      LEU  46  18.561   1.022  -1.505
  361   2HD2  LEU  46          HD22      LEU  46  17.373   1.932  -0.572
  362   3HD2  LEU  46          HD23      LEU  46  16.838   0.794  -1.810
  363    H    THR  47           HN       THR  47  19.930  -3.098   2.365
  364    HA   THR  47           HA       THR  47  22.298  -1.760   3.524
  365    HB   THR  47           HB       THR  47  21.694  -4.685   3.885
  366    HG1  THR  47           HG1      THR  47  20.101  -2.873   4.773
  367   1HG2  THR  47          HG21      THR  47  23.101  -4.328   5.912
  368   2HG2  THR  47          HG22      THR  47  23.369  -2.666   5.383
  369   3HG2  THR  47          HG23      THR  47  23.946  -4.009   4.397
  370    H    CYS  48           HN       CYS  48  24.353  -2.382   2.802
  371    HA   CYS  48           HA       CYS  48  24.351  -3.566   0.170
  372   1HB   CYS  48          HB2       CYS  48  26.237  -1.962   1.798
  373   2HB   CYS  48          HB1       CYS  48  26.985  -3.132   0.724
  374    H    ASN  49           HN       ASN  49  24.498  -5.688  -0.061
  375    HA   ASN  49           HA       ASN  49  25.711  -7.265   2.081
  376   1HB   ASN  49          HB2       ASN  49  24.683  -9.203   1.087
  377   2HB   ASN  49          HB1       ASN  49  23.465  -7.935   1.226
  378   1HD2  ASN  49          HD21      ASN  49  24.575  -6.467  -1.079
  379   2HD2  ASN  49          HD22      ASN  49  24.077  -7.352  -2.472
  380    H    SER  50           HN       SER  50  26.551  -9.481   0.768
  381    HA   SER  50           HA       SER  50  28.852  -8.455  -0.705
  382   1HB   SER  50          HB2       SER  50  29.550 -10.970  -0.237
  383   2HB   SER  50          HB1       SER  50  29.727  -9.728   1.002
  384    HG   SER  50           HG       SER  50  28.186 -10.645   2.129
  385    H    ASP  51           HN       ASP  51  26.878  -8.310  -2.342
  386    HA   ASP  51           HA       ASP  51  27.060 -10.649  -4.136
  387   1HB   ASP  51          HB2       ASP  51  24.642  -9.045  -3.337
  388   2HB   ASP  51          HB1       ASP  51  24.704  -9.908  -4.871
  389    H    GLY  52           HN       GLY  52  26.389  -7.182  -3.786
  390   1HA   GLY  52          HA2       GLY  52  28.100  -5.927  -5.286
  391   2HA   GLY  52          HA1       GLY  52  27.254  -6.789  -6.562
  392    H    GLU  53           HN       GLU  53  25.077  -6.207  -4.189
  393    HA   GLU  53           HA       GLU  53  24.428  -3.464  -4.938
  394   1HB   GLU  53          HB2       GLU  53  22.127  -4.099  -5.638
  395   2HB   GLU  53          HB1       GLU  53  23.387  -4.667  -6.724
  396   1HG   GLU  53          HG2       GLU  53  22.394  -6.466  -4.568
  397   2HG   GLU  53          HG1       GLU  53  21.434  -6.239  -6.027
  398    H    TRP  54           HN       TRP  54  21.773  -3.469  -4.141
  399    HA   TRP  54           HA       TRP  54  22.077  -3.574  -1.251
  400   1HB   TRP  54          HB2       TRP  54  19.914  -2.335  -2.940
  401   2HB   TRP  54          HB1       TRP  54  20.160  -2.127  -1.212
  402    HD1  TRP  54           HD1      TRP  54  21.415  -0.911  -4.582
  403    HE1  TRP  54           HE1      TRP  54  23.046   1.046  -4.214
  404    HE3  TRP  54           HE3      TRP  54  21.883  -1.230   0.471
  405    HZ2  TRP  54           HZ2      TRP  54  24.370   2.291  -2.034
  406    HZ3  TRP  54           HZ3      TRP  54  23.340   0.371   1.635
  407    HH2  TRP  54           HH2      TRP  54  24.555   2.094   0.407
  408    H    VAL  55           HN       VAL  55  21.170  -5.052  -0.064
  409    HA   VAL  55           HA       VAL  55  19.047  -6.791  -1.160
  410    HB   VAL  55           HB       VAL  55  19.558  -8.111   0.921
  411   1HG1  VAL  55          HG11      VAL  55  20.224  -9.013  -1.160
  412   2HG1  VAL  55          HG12      VAL  55  21.615  -9.161  -0.083
  413   3HG1  VAL  55          HG13      VAL  55  21.567  -7.877  -1.291
  414   1HG2  VAL  55          HG21      VAL  55  20.756  -6.369   2.094
  415   2HG2  VAL  55          HG22      VAL  55  22.056  -6.455   0.904
  416   3HG2  VAL  55          HG23      VAL  55  21.725  -7.835   1.952
  417    H    TYR  56           HN       TYR  56  17.300  -7.296   0.156
  418    HA   TYR  56           HA       TYR  56  16.772  -6.415   2.660
  419   1HB   TYR  56          HB2       TYR  56  15.308  -4.376   2.245
  420   2HB   TYR  56          HB1       TYR  56  17.036  -4.123   2.020
  421    HD1  TYR  56           HD1      TYR  56  17.908  -3.440  -0.078
  422    HD2  TYR  56           HD2      TYR  56  13.844  -4.665   0.210
  423    HE1  TYR  56           HE1      TYR  56  17.504  -2.612  -2.356
  424    HE2  TYR  56           HE2      TYR  56  13.428  -3.839  -2.067
  425    HH   TYR  56           HH       TYR  56  14.409  -2.194  -3.640
  426    H    ASN  57           HN       ASN  57  14.295  -6.168   3.124
  427    HA   ASN  57           HA       ASN  57  12.920  -8.151   1.474
  428   1HB   ASN  57          HB2       ASN  57  12.130  -6.977   4.151
  429   2HB   ASN  57          HB1       ASN  57  11.318  -8.303   3.325
  430   1HD2  ASN  57          HD21      ASN  57  12.336 -10.316   3.197
  431   2HD2  ASN  57          HD22      ASN  57  13.638 -10.743   4.250
  432    H    THR  58           HN       THR  58  10.472  -7.735   1.229
  433    HA   THR  58           HA       THR  58  10.188  -5.191  -0.104
  434    HB   THR  58           HB       THR  58   7.895  -7.081   0.286
  435    HG1  THR  58           HG1      THR  58   8.878  -8.595  -0.818
  436   1HG2  THR  58          HG21      THR  58   7.455  -5.023  -0.907
  437   2HG2  THR  58          HG22      THR  58   7.411  -6.369  -2.048
  438   3HG2  THR  58          HG23      THR  58   8.824  -5.312  -1.982
  439    H    PHE  59           HN       PHE  59  10.444  -3.896   1.816
  440    HA   PHE  59           HA       PHE  59   8.955  -3.908   4.102
  441   1HB   PHE  59          HB2       PHE  59   9.134  -1.212   3.610
  442   2HB   PHE  59          HB1       PHE  59  10.397  -2.200   4.333
  443    HD1  PHE  59           HD1      PHE  59   9.306  -0.447   1.327
  444    HD2  PHE  59           HD2      PHE  59  12.348  -2.861   3.063
  445    HE1  PHE  59           HE1      PHE  59  10.821   0.144  -0.516
  446    HE2  PHE  59           HE2      PHE  59  13.869  -2.274   1.221
  447    HZ   PHE  59           HZ       PHE  59  13.106  -0.769  -0.571
  448    H    CYS  60           HN       CYS  60   8.143  -1.273   1.923
  449    HA   CYS  60           HA       CYS  60   5.393  -1.370   2.672
  450   1HB   CYS  60          HB2       CYS  60   6.098   0.163   0.252
  451   2HB   CYS  60          HB1       CYS  60   5.245   0.679   1.703
  452    H    ILE  61           HN       ILE  61   3.907  -2.692   1.867
  453    HA   ILE  61           HA       ILE  61   4.392  -3.893  -0.765
  454    HB   ILE  61           HB       ILE  61   4.215  -5.523   0.991
  455   1HG1  ILE  61          HG12      ILE  61   1.549  -5.883  -0.248
  456   2HG1  ILE  61          HG11      ILE  61   2.898  -5.649  -1.355
  457   1HG2  ILE  61          HG21      ILE  61   2.173  -5.809   2.313
  458   2HG2  ILE  61          HG22      ILE  61   1.509  -4.346   1.587
  459   3HG2  ILE  61          HG23      ILE  61   2.941  -4.250   2.611
  460   1HD1  ILE  61          HD11      ILE  61   2.747  -7.760   0.781
  461   2HD1  ILE  61          HD12      ILE  61   4.056  -7.540  -0.380
  462   3HD1  ILE  61          HD13      ILE  61   2.451  -8.009  -0.939
  463    H    TYR  62           HN       TYR  62   3.593  -1.987  -1.831
  464    HA   TYR  62           HA       TYR  62   0.932  -1.026  -1.570
  465   1HB   TYR  62          HB2       TYR  62   3.108  -0.117  -2.850
  466   2HB   TYR  62          HB1       TYR  62   2.248  -0.837  -4.214
  467    HD1  TYR  62           HD1      TYR  62  -0.557  -0.239  -3.581
  468    HD2  TYR  62           HD2      TYR  62   2.923   2.143  -3.047
  469    HE1  TYR  62           HE1      TYR  62  -1.939   1.795  -3.685
  470    HE2  TYR  62           HE2      TYR  62   1.567   4.184  -3.143
  471    HH   TYR  62           HH       TYR  62  -0.501   4.978  -3.818
  472    H    LYS  63           HN       LYS  63  -0.818  -2.082  -1.880
  473    HA   LYS  63           HA       LYS  63  -1.440  -3.370  -4.324
  474   1HB   LYS  63          HB2       LYS  63  -1.953  -5.614  -3.120
  475   2HB   LYS  63          HB1       LYS  63  -0.318  -5.290  -3.682
  476   1HG   LYS  63          HG2       LYS  63   0.400  -5.726  -1.637
  477   2HG   LYS  63          HG1       LYS  63  -0.428  -4.270  -1.083
  478   1HD   LYS  63          HD2       LYS  63  -2.452  -5.558  -0.677
  479   2HD   LYS  63          HD1       LYS  63  -1.639  -7.019  -1.241
  480   1HE   LYS  63          HE2       LYS  63  -0.289  -5.495   0.910
  481   2HE   LYS  63          HE1       LYS  63  -1.783  -6.327   1.338
  482   1HZ   LYS  63          HZ1       LYS  63   0.073  -7.771   1.725
  483   2HZ   LYS  63          HZ2       LYS  63   0.640  -7.557   0.147
  484   3HZ   LYS  63          HZ3       LYS  63  -0.812  -8.379   0.418
  485    H    ARG  64           HN       ARG  64  -3.271  -2.228  -4.442
  486    HA   ARG  64           HA       ARG  64  -5.110  -2.231  -2.170
  487   1HB   ARG  64          HB2       ARG  64  -6.364  -0.535  -3.505
  488   2HB   ARG  64          HB1       ARG  64  -4.719  -0.054  -3.112
  489   1HG   ARG  64          HG2       ARG  64  -4.906  -1.441  -5.660
  490   2HG   ARG  64          HG1       ARG  64  -5.886   0.025  -5.597
  491   1HD   ARG  64          HD2       ARG  64  -2.999  -0.062  -4.761
  492   2HD   ARG  64          HD1       ARG  64  -3.514   0.319  -6.404
  493    HE   ARG  64           HE       ARG  64  -4.562   1.910  -4.179
  494   1HH1  ARG  64          HH11      ARG  64  -2.561   1.658  -7.023
  495   2HH1  ARG  64          HH12      ARG  64  -2.364   3.370  -7.191
  496   1HH2  ARG  64          HH21      ARG  64  -4.301   4.165  -4.393
  497   2HH2  ARG  64          HH22      ARG  64  -3.351   4.795  -5.697
  498    H    CYS  65           HN       CYS  65  -7.528  -1.961  -3.374
  499    HA   CYS  65           HA       CYS  65  -7.865  -4.529  -4.778
  500   1HB   CYS  65          HB2       CYS  65  -9.963  -3.155  -3.101
  501   2HB   CYS  65          HB1       CYS  65  -9.972  -4.811  -3.699
  502    H    ARG  66           HN       ARG  66  -9.612  -4.598  -6.358
  503    HA   ARG  66           HA       ARG  66  -9.590  -2.367  -8.040
  504   1HB   ARG  66          HB2       ARG  66 -10.078  -4.548  -8.965
  505   2HB   ARG  66          HB1       ARG  66 -11.486  -4.727  -7.927
  506   1HG   ARG  66          HG2       ARG  66 -12.145  -4.236 -10.206
  507   2HG   ARG  66          HG1       ARG  66 -12.608  -2.920  -9.124
  508   1HD   ARG  66          HD2       ARG  66 -10.737  -1.595  -9.854
  509   2HD   ARG  66          HD1       ARG  66 -10.120  -2.932 -10.824
  510    HE   ARG  66           HE       ARG  66 -12.665  -2.445 -11.754
  511   1HH1  ARG  66          HH11      ARG  66  -9.702  -0.637 -11.448
  512   2HH1  ARG  66          HH12      ARG  66 -10.022   0.366 -12.822
  513   1HH2  ARG  66          HH21      ARG  66 -13.092  -1.128 -13.566
  514   2HH2  ARG  66          HH22      ARG  66 -11.947   0.087 -14.026
  515    H    HIS  67           HN       HIS  67 -10.999  -0.687  -8.342
  516    HA   HIS  67           HA       HIS  67 -12.272   0.383  -6.134
  517   1HB   HIS  67          HB2       HIS  67 -12.765   0.908  -9.071
  518   2HB   HIS  67          HB1       HIS  67 -13.323   1.933  -7.758
  519    HD1  HIS  67           HD1      HIS  67 -10.275   1.022  -9.691
  520    HD2  HIS  67           HD2      HIS  67 -11.340   3.501  -6.530
  521    HE1  HIS  67           HE1      HIS  67  -8.311   2.556  -9.348
  522    HE2  HIS  67           HE2      HIS  67  -9.014   4.102  -7.485
  523    HA   PRO  68           HA       PRO  68 -15.841  -2.384  -5.570
  524   1HB   PRO  68          HB2       PRO  68 -16.709   0.271  -4.498
  525   2HB   PRO  68          HB1       PRO  68 -16.983  -1.349  -3.841
  526   1HG   PRO  68          HG2       PRO  68 -15.065   0.242  -2.865
  527   2HG   PRO  68          HG1       PRO  68 -14.824  -1.508  -3.010
  528   1HD   PRO  68          HD2       PRO  68 -13.604   0.682  -4.565
  529   2HD   PRO  68          HD1       PRO  68 -13.047  -0.988  -4.339
  530    H    GLY  69           HN       GLY  69 -15.917   0.895  -6.884
  531   1HA   GLY  69          HA2       GLY  69 -16.932   1.319  -9.027
  532   2HA   GLY  69          HA1       GLY  69 -18.098   0.051  -8.673
  533    H    GLU  70           HN       GLU  70 -19.477   1.904  -9.418
  534    HA   GLU  70           HA       GLU  70 -19.920   4.021  -7.488
  535   1HB   GLU  70          HB2       GLU  70 -20.141   4.471  -9.922
  536   2HB   GLU  70          HB1       GLU  70 -21.478   3.331  -9.986
  537   1HG   GLU  70          HG2       GLU  70 -22.214   5.672  -9.918
  538   2HG   GLU  70          HG1       GLU  70 -22.807   4.728  -8.552
  539    H    LEU  71           HN       LEU  71 -21.414   4.165  -6.010
  540    HA   LEU  71           HA       LEU  71 -23.074   1.809  -5.487
  541   1HB   LEU  71          HB2       LEU  71 -21.560   3.241  -3.802
  542   2HB   LEU  71          HB1       LEU  71 -23.030   4.183  -3.682
  543    HG   LEU  71           HG       LEU  71 -22.615   1.304  -2.898
  544   1HD1  LEU  71          HD11      LEU  71 -23.412   2.138  -0.718
  545   2HD1  LEU  71          HD12      LEU  71 -23.453   3.769  -1.387
  546   3HD1  LEU  71          HD13      LEU  71 -21.919   2.910  -1.252
  547   1HD2  LEU  71          HD21      LEU  71 -25.183   2.802  -3.307
  548   2HD2  LEU  71          HD22      LEU  71 -25.058   1.450  -2.181
  549   3HD2  LEU  71          HD23      LEU  71 -24.733   1.202  -3.899
  550    H    ARG  72           HN       ARG  72 -24.880   1.971  -6.804
  551    HA   ARG  72           HA       ARG  72 -26.147   4.457  -7.340
  552   1HB   ARG  72          HB2       ARG  72 -26.443   2.393  -8.768
  553   2HB   ARG  72          HB1       ARG  72 -27.419   1.703  -7.476
  554   1HG   ARG  72          HG2       ARG  72 -29.028   3.527  -7.720
  555   2HG   ARG  72          HG1       ARG  72 -28.055   4.207  -9.025
  556   1HD   ARG  72          HD2       ARG  72 -28.332   1.986 -10.207
  557   2HD   ARG  72          HD1       ARG  72 -29.545   1.595  -8.989
  558    HE   ARG  72           HE       ARG  72 -30.165   4.085 -10.123
  559   1HH1  ARG  72          HH11      ARG  72 -30.092   0.702 -10.960
  560   2HH1  ARG  72          HH12      ARG  72 -31.337   0.840 -12.155
  561   1HH2  ARG  72          HH21      ARG  72 -31.802   4.274 -11.695
  562   2HH2  ARG  72          HH22      ARG  72 -32.309   2.870 -12.574
  563    H    ASN  73           HN       ASN  73 -27.326   5.659  -6.258
  564    HA   ASN  73           HA       ASN  73 -28.639   6.541  -4.652
  565   1HB   ASN  73          HB2       ASN  73 -29.240   3.662  -3.894
  566   2HB   ASN  73          HB1       ASN  73 -30.074   5.071  -3.248
  567   1HD2  ASN  73          HD21      ASN  73 -29.655   2.993  -5.982
  568   2HD2  ASN  73          HD22      ASN  73 -30.996   3.584  -6.899
  569    H    GLY  74           HN       GLY  74 -25.938   4.720  -4.265
  570   1HA   GLY  74          HA2       GLY  74 -25.686   5.457  -1.430
  571   2HA   GLY  74          HA1       GLY  74 -24.816   4.142  -2.196
  572    H    GLN  75           HN       GLN  75 -23.233   5.621  -0.825
  573    HA   GLN  75           HA       GLN  75 -21.783   7.215  -2.804
  574   1HB   GLN  75          HB2       GLN  75 -22.481   8.168  -0.022
  575   2HB   GLN  75          HB1       GLN  75 -21.281   8.935  -1.052
  576   1HG   GLN  75          HG2       GLN  75 -24.169   8.598  -1.814
  577   2HG   GLN  75          HG1       GLN  75 -23.511  10.039  -1.037
  578   1HE2  GLN  75          HE21      GLN  75 -24.772   9.748  -3.643
  579   2HE2  GLN  75          HE22      GLN  75 -23.618  10.307  -4.803
  580    H    VAL  76           HN       VAL  76 -20.468   5.267  -2.831
  581    HA   VAL  76           HA       VAL  76 -19.167   4.042  -0.764
  582    HB   VAL  76           HB       VAL  76 -17.917   4.722  -3.432
  583   1HG1  VAL  76          HG11      VAL  76 -17.304   2.411  -1.597
  584   2HG1  VAL  76          HG12      VAL  76 -16.367   3.905  -1.638
  585   3HG1  VAL  76          HG13      VAL  76 -16.448   2.877  -3.068
  586   1HG2  VAL  76          HG21      VAL  76 -18.816   2.673  -4.257
  587   2HG2  VAL  76          HG22      VAL  76 -20.147   3.575  -3.533
  588   3HG2  VAL  76          HG23      VAL  76 -19.418   2.226  -2.662
  589    H    GLU  77           HN       GLU  77 -18.072   4.938   0.885
  590    HA   GLU  77           HA       GLU  77 -16.833   7.518   0.631
  591   1HB   GLU  77          HB2       GLU  77 -17.943   6.936   2.708
  592   2HB   GLU  77          HB1       GLU  77 -16.879   5.552   2.925
  593   1HG   GLU  77          HG2       GLU  77 -15.062   6.871   3.479
  594   2HG   GLU  77          HG1       GLU  77 -15.748   8.313   2.738
  595    H    ILE  78           HN       ILE  78 -15.246   7.123  -0.969
  596    HA   ILE  78           HA       ILE  78 -12.917   5.601   0.001
  597    HB   ILE  78           HB       ILE  78 -14.209   5.562  -2.562
  598   1HG1  ILE  78          HG12      ILE  78 -12.371   3.805  -2.952
  599   2HG1  ILE  78          HG11      ILE  78 -11.862   4.157  -1.304
  600   1HG2  ILE  78          HG21      ILE  78 -11.341   6.488  -2.624
  601   2HG2  ILE  78          HG22      ILE  78 -12.745   7.351  -3.256
  602   3HG2  ILE  78          HG23      ILE  78 -12.224   5.842  -4.008
  603   1HD1  ILE  78          HD11      ILE  78 -13.310   2.183  -1.470
  604   2HD1  ILE  78          HD12      ILE  78 -14.605   3.211  -2.088
  605   3HD1  ILE  78          HD13      ILE  78 -13.996   3.450  -0.450
  606    H    LYS  79           HN       LYS  79 -10.971   6.611   0.132
  607    HA   LYS  79           HA       LYS  79 -10.546   9.226  -1.024
  608   1HB   LYS  79          HB2       LYS  79 -10.001  10.275   1.168
  609   2HB   LYS  79          HB1       LYS  79 -11.708   9.896   0.987
  610   1HG   LYS  79          HG2       LYS  79  -9.831   8.028   2.387
  611   2HG   LYS  79          HG1       LYS  79 -10.571   9.393   3.225
  612   1HD   LYS  79          HD2       LYS  79 -12.800   8.533   2.574
  613   2HD   LYS  79          HD1       LYS  79 -12.012   7.128   1.847
  614   1HE   LYS  79          HE2       LYS  79 -11.170   6.417   3.961
  615   2HE   LYS  79          HE1       LYS  79 -11.685   7.913   4.737
  616   1HZ   LYS  79          HZ1       LYS  79 -13.153   5.991   5.170
  617   2HZ   LYS  79          HZ2       LYS  79 -13.545   5.945   3.525
  618   3HZ   LYS  79          HZ3       LYS  79 -13.953   7.298   4.454
  619    H    THR  80           HN       THR  80  -9.482   6.589   1.000
  620    HA   THR  80           HA       THR  80  -6.698   7.370   0.795
  621    HB   THR  80           HB       THR  80  -6.222   5.503   2.235
  622    HG1  THR  80           HG1      THR  80  -8.666   4.521   2.716
  623   1HG2  THR  80          HG21      THR  80  -7.916   5.951   4.106
  624   2HG2  THR  80          HG22      THR  80  -8.669   7.088   2.982
  625   3HG2  THR  80          HG23      THR  80  -6.999   7.329   3.497
  626    H    ASP  81           HN       ASP  81  -8.476   6.511  -1.505
  627    HA   ASP  81           HA       ASP  81  -8.189   5.448  -3.496
  628   1HB   ASP  81          HB2       ASP  81  -5.471   4.891  -2.323
  629   2HB   ASP  81          HB1       ASP  81  -5.915   4.496  -3.978
  630    H    LEU  82           HN       LEU  82  -8.614   4.054  -0.704
  631    HA   LEU  82           HA       LEU  82  -9.201   2.059   0.093
  632   1HB   LEU  82          HB2       LEU  82 -10.359   0.496  -1.304
  633   2HB   LEU  82          HB1       LEU  82 -10.896   2.132  -1.603
  634    HG   LEU  82           HG       LEU  82  -8.814   1.182  -3.430
  635   1HD1  LEU  82          HD11      LEU  82 -10.258  -0.306  -4.627
  636   2HD1  LEU  82          HD12      LEU  82 -11.584   0.024  -3.506
  637   3HD1  LEU  82          HD13      LEU  82 -10.154  -0.840  -2.946
  638   1HD2  LEU  82          HD21      LEU  82 -11.526   2.419  -3.870
  639   2HD2  LEU  82          HD22      LEU  82 -10.217   2.285  -5.046
  640   3HD2  LEU  82          HD23      LEU  82 -10.033   3.330  -3.632
  641    H    SER  83           HN       SER  83  -6.867   2.148   0.485
  642    HA   SER  83           HA       SER  83  -5.317   0.109  -0.869
  643   1HB   SER  83          HB2       SER  83  -4.641   1.875   1.496
  644   2HB   SER  83          HB1       SER  83  -3.510   0.783   0.696
  645    HG   SER  83           HG       SER  83  -4.908   2.734  -0.775
  646    H    PHE  84           HN       PHE  84  -4.814  -1.891  -0.109
  647    HA   PHE  84           HA       PHE  84  -6.364  -3.435   1.399
  648   1HB   PHE  84          HB2       PHE  84  -4.426  -4.387   0.350
  649   2HB   PHE  84          HB1       PHE  84  -3.341  -3.451   1.372
  650    HD1  PHE  84           HD1      PHE  84  -5.353  -6.441   1.085
  651    HD2  PHE  84           HD2      PHE  84  -3.070  -4.039   3.755
  652    HE1  PHE  84           HE1      PHE  84  -5.238  -8.318   2.671
  653    HE2  PHE  84           HE2      PHE  84  -2.951  -5.912   5.346
  654    HZ   PHE  84           HZ       PHE  84  -4.036  -8.055   4.804
  655    H    GLY  85           HN       GLY  85  -6.955  -3.731   3.512
  656   1HA   GLY  85          HA2       GLY  85  -6.647  -3.609   5.851
  657   2HA   GLY  85          HA1       GLY  85  -5.408  -2.385   5.599
  658    H    SER  86           HN       SER  86  -8.168  -1.922   3.683
  659    HA   SER  86           HA       SER  86  -9.130   0.154   5.537
  660   1HB   SER  86          HB2       SER  86  -9.942   1.350   3.502
  661   2HB   SER  86          HB1       SER  86  -8.190   1.156   3.550
  662    HG   SER  86           HG       SER  86  -9.935   0.285   1.705
  663    H    GLN  87           HN       GLN  87 -11.358   0.587   5.643
  664    HA   GLN  87           HA       GLN  87 -12.979  -1.803   5.117
  665   1HB   GLN  87          HB2       GLN  87 -14.624  -0.557   6.705
  666   2HB   GLN  87          HB1       GLN  87 -13.232  -1.393   7.377
  667   1HG   GLN  87          HG2       GLN  87 -13.303   0.646   8.490
  668   2HG   GLN  87          HG1       GLN  87 -12.040   0.837   7.277
  669   1HE2  GLN  87          HE21      GLN  87 -15.429   0.869   6.497
  670   2HE2  GLN  87          HE22      GLN  87 -15.522   2.545   6.092
  671    H    ILE  88           HN       ILE  88 -12.924   1.669   4.714
  672    HA   ILE  88           HA       ILE  88 -14.060   3.109   3.383
  673    HB   ILE  88           HB       ILE  88 -14.466   2.492   1.073
  674   1HG1  ILE  88          HG12      ILE  88 -13.499  -0.299   1.433
  675   2HG1  ILE  88          HG11      ILE  88 -15.173   0.034   1.864
  676   1HG2  ILE  88          HG21      ILE  88 -12.184   1.665   0.483
  677   2HG2  ILE  88          HG22      ILE  88 -11.898   1.414   2.207
  678   3HG2  ILE  88          HG23      ILE  88 -12.214   3.037   1.593
  679   1HD1  ILE  88          HD11      ILE  88 -13.941   0.663  -0.803
  680   2HD1  ILE  88          HD12      ILE  88 -15.638   0.826  -0.352
  681   3HD1  ILE  88          HD13      ILE  88 -14.899  -0.773  -0.444
  682    H    GLU  89           HN       GLU  89 -15.798   3.343   4.793
  683    HA   GLU  89           HA       GLU  89 -18.059   1.655   4.788
  684   1HB   GLU  89          HB2       GLU  89 -17.376   3.330   6.582
  685   2HB   GLU  89          HB1       GLU  89 -18.060   4.573   5.542
  686   1HG   GLU  89          HG2       GLU  89 -20.234   3.520   5.657
  687   2HG   GLU  89          HG1       GLU  89 -19.569   2.212   6.634
  688    H    PHE  90           HN       PHE  90 -20.272   2.418   4.177
  689    HA   PHE  90           HA       PHE  90 -20.181   3.790   1.569
  690   1HB   PHE  90          HB2       PHE  90 -22.149   1.691   2.515
  691   2HB   PHE  90          HB1       PHE  90 -22.148   2.466   0.934
  692    HD1  PHE  90           HD1      PHE  90 -20.485   0.022   3.091
  693    HD2  PHE  90           HD2      PHE  90 -20.521   1.861  -0.753
  694    HE1  PHE  90           HE1      PHE  90 -18.988  -1.732   2.236
  695    HE2  PHE  90           HE2      PHE  90 -19.027   0.109  -1.610
  696    HZ   PHE  90           HZ       PHE  90 -18.256  -1.689  -0.115
  697    H    SER  91           HN       SER  91 -22.655   4.521   1.069
  698    HA   SER  91           HA       SER  91 -23.956   5.592   3.415
  699   1HB   SER  91          HB2       SER  91 -22.777   7.519   1.406
  700   2HB   SER  91          HB1       SER  91 -23.744   7.933   2.821
  701    HG   SER  91           HG       SER  91 -22.018   7.794   3.999
  702    H    CYS  92           HN       CYS  92 -25.985   5.099   2.997
  703    HA   CYS  92           HA       CYS  92 -26.964   5.225   0.261
  704   1HB   CYS  92          HB2       CYS  92 -27.471   3.320   1.935
  705   2HB   CYS  92          HB1       CYS  92 -28.644   4.432   2.630
  706    H    SER  93           HN       SER  93 -27.749   7.062  -0.481
  707    HA   SER  93           HA       SER  93 -28.098   9.399   0.894
  708   1HB   SER  93          HB2       SER  93 -29.710  10.013  -1.021
  709   2HB   SER  93          HB1       SER  93 -28.046   9.591  -1.437
  710    HG   SER  93           HG       SER  93 -28.713   7.780  -2.342
  711    H    GLU  94           HN       GLU  94 -30.116  10.677   1.100
  712    HA   GLU  94           HA       GLU  94 -31.724   9.826   3.127
  713   1HB   GLU  94          HB2       GLU  94 -31.656  12.135   2.535
  714   2HB   GLU  94          HB1       GLU  94 -32.262  11.806   0.918
  715   1HG   GLU  94          HG2       GLU  94 -34.026  12.772   2.148
  716   2HG   GLU  94          HG1       GLU  94 -34.399  11.060   1.957
  717    H    GLY  95           HN       GLY  95 -33.875   9.128   3.295
  718   1HA   GLY  95          HA2       GLY  95 -35.819   8.038   2.670
  719   2HA   GLY  95          HA1       GLY  95 -35.326   8.195   0.991
  720    H    PHE  96           HN       PHE  96 -32.738   6.855   1.380
  721    HA   PHE  96           HA       PHE  96 -33.786   4.112   1.665
  722   1HB   PHE  96          HB2       PHE  96 -31.296   4.410   0.148
  723   2HB   PHE  96          HB1       PHE  96 -32.726   3.456  -0.223
  724    HD1  PHE  96           HD1      PHE  96 -30.740   6.080  -1.271
  725    HD2  PHE  96           HD2      PHE  96 -34.828   4.953  -0.923
  726    HE1  PHE  96           HE1      PHE  96 -31.337   7.704  -3.030
  727    HE2  PHE  96           HE2      PHE  96 -35.432   6.571  -2.677
  728    HZ   PHE  96           HZ       PHE  96 -33.686   7.949  -3.733
  729    H    PHE  97           HN       PHE  97 -32.453   2.583   2.671
  730    HA   PHE  97           HA       PHE  97 -30.404   3.791   4.400
  731   1HB   PHE  97          HB2       PHE  97 -30.893   2.092   6.039
  732   2HB   PHE  97          HB1       PHE  97 -32.396   2.870   5.561
  733    HD1  PHE  97           HD1      PHE  97 -33.477   1.610   3.376
  734    HD2  PHE  97           HD2      PHE  97 -31.040  -0.156   6.386
  735    HE1  PHE  97           HE1      PHE  97 -34.467  -0.587   2.878
  736    HE2  PHE  97           HE2      PHE  97 -32.030  -2.356   5.899
  737    HZ   PHE  97           HZ       PHE  97 -33.745  -2.573   4.144
  738    H    LEU  98           HN       LEU  98 -28.724   2.337   5.147
  739    HA   LEU  98           HA       LEU  98 -27.480   1.013   2.892
  740   1HB   LEU  98          HB2       LEU  98 -26.304   2.571   4.514
  741   2HB   LEU  98          HB1       LEU  98 -26.438   1.305   5.715
  742    HG   LEU  98           HG       LEU  98 -24.207   1.440   4.638
  743   1HD1  LEU  98          HD11      LEU  98 -25.754  -1.104   4.204
  744   2HD1  LEU  98          HD12      LEU  98 -24.857  -0.638   5.647
  745   3HD1  LEU  98          HD13      LEU  98 -23.998  -0.975   4.143
  746   1HD2  LEU  98          HD21      LEU  98 -24.982   2.098   2.402
  747   2HD2  LEU  98          HD22      LEU  98 -25.631   0.473   2.170
  748   3HD2  LEU  98          HD23      LEU  98 -23.894   0.710   2.370
  749    H    ILE  99           HN       ILE  99 -27.195  -1.145   2.668
  750    HA   ILE  99           HA       ILE  99 -27.583  -3.005   4.857
  751    HB   ILE  99           HB       ILE  99 -29.139  -3.970   2.654
  752   1HG1  ILE  99          HG12      ILE  99 -30.445  -1.592   3.886
  753   2HG1  ILE  99          HG11      ILE  99 -29.370  -1.358   2.516
  754   1HG2  ILE  99          HG21      ILE  99 -30.810  -4.328   4.367
  755   2HG2  ILE  99          HG22      ILE  99 -29.956  -3.238   5.459
  756   3HG2  ILE  99          HG23      ILE  99 -29.215  -4.764   4.980
  757   1HD1  ILE  99          HD11      ILE  99 -31.597  -1.496   1.702
  758   2HD1  ILE  99          HD12      ILE  99 -31.886  -2.995   2.587
  759   3HD1  ILE  99          HD13      ILE  99 -30.754  -2.973   1.235
  760    H    GLY 100           HN       GLY 100 -26.285  -4.643   4.609
  761   1HA   GLY 100          HA2       GLY 100 -25.590  -6.373   2.805
  762   2HA   GLY 100          HA1       GLY 100 -24.861  -4.945   2.063
  763    H    SER 101           HN       SER 101 -23.715  -3.591   3.857
  764    HA   SER 101           HA       SER 101 -22.386  -4.559   6.022
  765   1HB   SER 101          HB2       SER 101 -21.479  -6.359   4.575
  766   2HB   SER 101          HB1       SER 101 -20.792  -5.137   3.504
  767    HG   SER 101           HG       SER 101 -20.166  -5.274   6.259
  768    H    THR 102           HN       THR 102 -22.238  -2.452   6.717
  769    HA   THR 102           HA       THR 102 -21.788  -0.272   5.003
  770    HB   THR 102           HB       THR 102 -21.611   1.093   6.962
  771    HG1  THR 102           HG1      THR 102 -20.901  -1.346   8.197
  772   1HG2  THR 102          HG21      THR 102 -23.490  -1.206   7.517
  773   2HG2  THR 102          HG22      THR 102 -23.853   0.234   6.564
  774   3HG2  THR 102          HG23      THR 102 -23.556   0.374   8.297
  775    H    THR 103           HN       THR 103 -19.693  -2.589   6.258
  776    HA   THR 103           HA       THR 103 -17.389  -0.849   5.673
  777    HB   THR 103           HB       THR 103 -16.078  -2.396   7.104
  778    HG1  THR 103           HG1      THR 103 -18.179  -3.292   8.562
  779   1HG2  THR 103          HG21      THR 103 -18.333  -0.805   8.282
  780   2HG2  THR 103          HG22      THR 103 -16.654  -0.314   8.050
  781   3HG2  THR 103          HG23      THR 103 -17.061  -1.518   9.274
  782    H    SER 104           HN       SER 104 -15.535  -1.946   4.726
  783    HA   SER 104           HA       SER 104 -15.990  -4.518   3.480
  784   1HB   SER 104          HB2       SER 104 -15.602  -1.991   1.849
  785   2HB   SER 104          HB1       SER 104 -15.384  -3.619   1.208
  786    HG   SER 104           HG       SER 104 -17.487  -2.786   0.814
  787    H    ARG 105           HN       ARG 105 -14.188  -5.552   3.998
  788    HA   ARG 105           HA       ARG 105 -11.761  -4.046   4.541
  789   1HB   ARG 105          HB2       ARG 105 -12.294  -6.999   4.894
  790   2HB   ARG 105          HB1       ARG 105 -10.912  -6.107   5.514
  791   1HG   ARG 105          HG2       ARG 105 -12.399  -4.795   6.944
  792   2HG   ARG 105          HG1       ARG 105 -13.782  -5.698   6.326
  793   1HD   ARG 105          HD2       ARG 105 -13.217  -6.680   8.402
  794   2HD   ARG 105          HD1       ARG 105 -12.650  -7.787   7.154
  795    HE   ARG 105           HE       ARG 105 -10.566  -6.036   7.870
  796   1HH1  ARG 105          HH11      ARG 105 -12.383  -8.731   9.129
  797   2HH1  ARG 105          HH12      ARG 105 -11.100  -9.285  10.152
  798   1HH2  ARG 105          HH21      ARG 105  -8.871  -6.757   9.219
  799   2HH2  ARG 105          HH22      ARG 105  -9.105  -8.162  10.204
  800    H    CYS 106           HN       CYS 106  -9.948  -4.102   3.399
  801    HA   CYS 106           HA       CYS 106 -10.062  -5.368   0.797
  802   1HB   CYS 106          HB2       CYS 106  -8.756  -3.044   1.920
  803   2HB   CYS 106          HB1       CYS 106  -7.576  -4.073   1.115
  804    H    GLU 107           HN       GLU 107  -9.352  -7.380   0.630
  805    HA   GLU 107           HA       GLU 107  -7.229  -8.266   2.462
  806   1HB   GLU 107          HB2       GLU 107  -9.529  -9.256   2.754
  807   2HB   GLU 107          HB1       GLU 107  -9.339  -9.994   1.167
  808   1HG   GLU 107          HG2       GLU 107  -7.343 -11.185   1.999
  809   2HG   GLU 107          HG1       GLU 107  -7.646 -10.509   3.599
  810    H    VAL 108           HN       VAL 108  -6.183 -10.335   1.523
  811    HA   VAL 108           HA       VAL 108  -5.697  -9.983  -1.355
  812    HB   VAL 108           HB       VAL 108  -3.623 -10.129   0.804
  813   1HG1  VAL 108          HG11      VAL 108  -2.962 -10.497  -2.101
  814   2HG1  VAL 108          HG12      VAL 108  -3.281 -11.883  -1.054
  815   3HG1  VAL 108          HG13      VAL 108  -1.946 -10.787  -0.687
  816   1HG2  VAL 108          HG21      VAL 108  -4.203  -8.340  -1.537
  817   2HG2  VAL 108          HG22      VAL 108  -2.675  -8.290  -0.657
  818   3HG2  VAL 108          HG23      VAL 108  -4.186  -7.925   0.178
  819    H    GLN 109           HN       GLN 109  -5.770 -11.687  -2.527
  820    HA   GLN 109           HA       GLN 109  -5.919 -14.318  -1.285
  821   1HB   GLN 109          HB2       GLN 109  -6.377 -13.644  -4.188
  822   2HB   GLN 109          HB1       GLN 109  -6.917 -15.073  -3.318
  823   1HG   GLN 109          HG2       GLN 109  -7.910 -12.260  -2.906
  824   2HG   GLN 109          HG1       GLN 109  -8.762 -13.557  -3.741
  825   1HE2  GLN 109          HE21      GLN 109  -9.635 -12.023  -1.456
  826   2HE2  GLN 109          HE22      GLN 109  -9.899 -13.151  -0.174
  827    H    ASP 110           HN       ASP 110  -5.177 -15.719  -3.692
  828    HA   ASP 110           HA       ASP 110  -2.656 -16.507  -3.288
  829   1HB   ASP 110          HB2       ASP 110  -4.043 -16.134  -5.935
  830   2HB   ASP 110          HB1       ASP 110  -2.484 -16.939  -5.787
  831    H    ARG 111           HN       ARG 111  -3.220 -14.171  -5.887
  832    HA   ARG 111           HA       ARG 111  -1.123 -12.454  -4.984
  833   1HB   ARG 111          HB2       ARG 111   0.264 -12.718  -7.035
  834   2HB   ARG 111          HB1       ARG 111   0.246 -14.143  -6.002
  835   1HG   ARG 111          HG2       ARG 111  -1.414 -15.183  -7.471
  836   2HG   ARG 111          HG1       ARG 111  -1.352 -13.767  -8.523
  837   1HD   ARG 111          HD2       ARG 111   0.966 -14.183  -9.026
  838   2HD   ARG 111          HD1       ARG 111   1.018 -15.509  -7.865
  839    HE   ARG 111           HE       ARG 111  -0.990 -16.037  -9.749
  840   1HH1  ARG 111          HH11      ARG 111   2.482 -15.814  -9.550
  841   2HH1  ARG 111          HH12      ARG 111   2.754 -16.957 -10.823
  842   1HH2  ARG 111          HH21      ARG 111  -0.638 -17.543 -11.424
  843   2HH2  ARG 111          HH22      ARG 111   0.984 -17.938 -11.887
  844    H    GLY 112           HN       GLY 112  -2.831 -10.964  -5.031
  845   1HA   GLY 112          HA2       GLY 112  -2.947  -9.154  -7.010
  846   2HA   GLY 112          HA1       GLY 112  -4.115 -10.349  -7.556
  847    H    VAL 113           HN       VAL 113  -3.785 -10.066  -4.201
  848    HA   VAL 113           HA       VAL 113  -5.203  -9.453  -2.559
  849    HB   VAL 113           HB       VAL 113  -4.936  -7.284  -2.289
  850   1HG1  VAL 113          HG11      VAL 113  -4.715  -6.793  -5.233
  851   2HG1  VAL 113          HG12      VAL 113  -3.416  -7.527  -4.288
  852   3HG1  VAL 113          HG13      VAL 113  -3.975  -5.896  -3.905
  853   1HG2  VAL 113          HG21      VAL 113  -6.468  -5.663  -3.298
  854   2HG2  VAL 113          HG22      VAL 113  -7.311  -7.083  -2.674
  855   3HG2  VAL 113          HG23      VAL 113  -7.039  -6.907  -4.409
  856    H    GLY 114           HN       GLY 114  -7.303  -9.538  -1.829
  857   1HA   GLY 114          HA2       GLY 114  -9.260  -9.985  -3.976
  858   2HA   GLY 114          HA1       GLY 114  -9.201 -10.931  -2.497
  859    H    TRP 115           HN       TRP 115 -11.327  -9.166  -3.694
  860    HA   TRP 115           HA       TRP 115 -11.599  -7.142  -1.619
  861   1HB   TRP 115          HB2       TRP 115 -12.407  -7.250  -4.323
  862   2HB   TRP 115          HB1       TRP 115 -13.884  -7.303  -3.374
  863    HD1  TRP 115           HD1      TRP 115 -12.468  -4.828  -5.206
  864    HE1  TRP 115           HE1      TRP 115 -12.478  -2.497  -4.115
  865    HE3  TRP 115           HE3      TRP 115 -13.197  -6.201  -0.332
  866    HZ2  TRP 115           HZ2      TRP 115 -12.759  -1.383  -1.546
  867    HZ3  TRP 115           HZ3      TRP 115 -13.323  -4.440   1.377
  868    HH2  TRP 115           HH2      TRP 115 -13.107  -2.080   0.783
  869    H    SER 116           HN       SER 116 -12.546  -7.737   0.236
  870    HA   SER 116           HA       SER 116 -13.839 -10.134   0.711
  871   1HB   SER 116          HB2       SER 116 -14.715  -9.083   2.771
  872   2HB   SER 116          HB1       SER 116 -13.014  -8.693   2.517
  873    HG   SER 116           HG       SER 116 -14.145  -6.828   3.072
  874    H    HIS 117           HN       HIS 117 -15.433  -6.948   0.402
  875    HA   HIS 117           HA       HIS 117 -17.618  -8.157  -1.090
  876   1HB   HIS 117          HB2       HIS 117 -18.042  -6.721   1.539
  877   2HB   HIS 117          HB1       HIS 117 -19.329  -7.127   0.408
  878    HD1  HIS 117           HD1      HIS 117 -17.416  -8.465   3.205
  879    HD2  HIS 117           HD2      HIS 117 -19.690  -9.999   0.086
  880    HE1  HIS 117           HE1      HIS 117 -17.937 -10.836   3.858
  881    HE2  HIS 117           HE2      HIS 117 -19.223 -11.777   1.906
  882    HA   PRO 118           HA       PRO 118 -17.437  -4.053  -2.830
  883   1HB   PRO 118          HB2       PRO 118 -19.197  -4.510  -4.844
  884   2HB   PRO 118          HB1       PRO 118 -17.570  -5.195  -4.819
  885   1HG   PRO 118          HG2       PRO 118 -20.132  -6.543  -4.519
  886   2HG   PRO 118          HG1       PRO 118 -18.527  -7.246  -4.764
  887   1HD   PRO 118          HD2       PRO 118 -20.040  -6.894  -2.283
  888   2HD   PRO 118          HD1       PRO 118 -18.615  -7.909  -2.592
  889    H    LEU 119           HN       LEU 119 -19.639  -2.963  -4.231
  890    HA   LEU 119           HA       LEU 119 -20.902  -1.336  -2.511
  891   1HB   LEU 119          HB2       LEU 119 -22.506  -2.436  -4.778
  892   2HB   LEU 119          HB1       LEU 119 -22.382  -0.793  -4.197
  893    HG   LEU 119           HG       LEU 119 -21.295  -0.714  -6.236
  894   1HD1  LEU 119          HD11      LEU 119 -18.894  -0.457  -5.737
  895   2HD1  LEU 119          HD12      LEU 119 -19.177  -1.200  -4.160
  896   3HD1  LEU 119          HD13      LEU 119 -19.945   0.339  -4.565
  897   1HD2  LEU 119          HD21      LEU 119 -19.829  -3.256  -5.579
  898   2HD2  LEU 119          HD22      LEU 119 -19.771  -2.358  -7.095
  899   3HD2  LEU 119          HD23      LEU 119 -21.264  -3.153  -6.597
  900    HA   PRO 120           HA       PRO 120 -23.864  -3.777  -0.266
  901   1HB   PRO 120          HB2       PRO 120 -25.137  -1.816   1.006
  902   2HB   PRO 120          HB1       PRO 120 -23.428  -2.135   1.327
  903   1HG   PRO 120          HG2       PRO 120 -24.678  -0.015  -0.379
  904   2HG   PRO 120          HG1       PRO 120 -23.314   0.116   0.747
  905   1HD   PRO 120          HD2       PRO 120 -23.076  -0.174  -1.993
  906   2HD   PRO 120          HD1       PRO 120 -21.815  -0.588  -0.815
  907    H    GLN 121           HN       GLN 121 -26.409  -2.302   0.353
  908    HA   GLN 121           HA       GLN 121 -27.766  -2.434  -2.244
  909   1HB   GLN 121          HB2       GLN 121 -28.048  -4.254  -0.012
  910   2HB   GLN 121          HB1       GLN 121 -29.572  -3.461  -0.375
  911   1HG   GLN 121          HG2       GLN 121 -29.224  -4.152  -2.774
  912   2HG   GLN 121          HG1       GLN 121 -27.888  -5.150  -2.199
  913   1HE2  GLN 121          HE21      GLN 121 -31.336  -4.691  -2.194
  914   2HE2  GLN 121          HE22      GLN 121 -31.746  -6.260  -1.598
  915    H    CYS 122           HN       CYS 122 -28.849  -0.576  -2.574
  916    HA   CYS 122           HA       CYS 122 -29.707   0.963  -0.231
  917   1HB   CYS 122          HB2       CYS 122 -28.729   1.654  -2.918
  918   2HB   CYS 122          HB1       CYS 122 -30.101   2.613  -2.375
  919    H    GLU 123           HN       GLU 123 -31.797   0.608   0.350
  920    HA   GLU 123           HA       GLU 123 -33.824   0.476  -1.781
  921   1HB   GLU 123          HB2       GLU 123 -33.531  -1.232   0.689
  922   2HB   GLU 123          HB1       GLU 123 -35.067  -1.046  -0.145
  923   1HG   GLU 123          HG2       GLU 123 -34.154  -2.010  -2.143
  924   2HG   GLU 123          HG1       GLU 123 -32.550  -2.085  -1.420
  925    H    ILE 124           HN       ILE 124 -35.682   1.561  -1.396
  926    HA   ILE 124           HA       ILE 124 -35.567   3.767   0.378
  927    HB   ILE 124           HB       ILE 124 -36.800   3.827  -1.754
  928   1HG1  ILE 124          HG12      ILE 124 -38.940   4.852  -0.821
  929   2HG1  ILE 124          HG11      ILE 124 -38.365   4.366   0.772
  930   1HG2  ILE 124          HG21      ILE 124 -38.781   2.017  -0.381
  931   2HG2  ILE 124          HG22      ILE 124 -37.687   1.543  -1.681
  932   3HG2  ILE 124          HG23      ILE 124 -38.954   2.733  -1.984
  933   1HD1  ILE 124          HD11      ILE 124 -36.324   5.719   0.382
  934   2HD1  ILE 124          HD12      ILE 124 -37.816   6.659   0.424
  935   3HD1  ILE 124          HD13      ILE 124 -37.047   6.292  -1.121
  936    H    LEU 125           HN       LEU 125 -36.837   4.226   2.203
  937    HA   LEU 125           HA       LEU 125 -37.388   1.938   3.871
  938   1HB   LEU 125          HB2       LEU 125 -37.806   4.875   4.436
  939   2HB   LEU 125          HB1       LEU 125 -37.833   3.582   5.618
  940    HG   LEU 125           HG       LEU 125 -35.396   4.309   3.992
  941   1HD1  LEU 125          HD11      LEU 125 -34.575   5.452   5.954
  942   2HD1  LEU 125          HD12      LEU 125 -36.056   5.072   6.832
  943   3HD1  LEU 125          HD13      LEU 125 -36.106   6.167   5.450
  944   1HD2  LEU 125          HD21      LEU 125 -35.773   2.580   6.435
  945   2HD2  LEU 125          HD22      LEU 125 -34.221   2.999   5.708
  946   3HD2  LEU 125          HD23      LEU 125 -35.383   2.028   4.805
  947    H    GLU 126           HN       GLU 126 -39.348   4.856   3.329
  948    HA   GLU 126           HA       GLU 126 -41.680   3.176   2.768
  949   1HB   GLU 126          HB2       GLU 126 -41.545   5.307   4.904
  950   2HB   GLU 126          HB1       GLU 126 -43.052   4.644   4.287
  951   1HG   GLU 126          HG2       GLU 126 -42.345   2.409   5.032
  952   2HG   GLU 126          HG1       GLU 126 -40.879   3.120   5.706
  953    H    HIS 127           HN       HIS 127 -42.934   3.956   1.184
  954    HA   HIS 127           HA       HIS 127 -42.107   6.361  -0.170
  955   1HB   HIS 127          HB2       HIS 127 -42.812   4.251  -1.343
  956   2HB   HIS 127          HB1       HIS 127 -44.460   4.581  -0.818
  957    HD1  HIS 127           HD1      HIS 127 -41.814   5.815  -3.168
  958    HD2  HIS 127           HD2      HIS 127 -45.793   6.570  -2.242
  959    HE1  HIS 127           HE1      HIS 127 -42.663   7.298  -5.014
  960    HE2  HIS 127           HE2      HIS 127 -45.053   7.802  -4.392
  961    H    HIS 128           HN       HIS 128 -42.658   8.190   0.858
  962    HA   HIS 128           HA       HIS 128 -45.362   9.051   0.805
  963   1HB   HIS 128          HB2       HIS 128 -45.465   7.652   2.840
  964   2HB   HIS 128          HB1       HIS 128 -44.161   8.600   3.547
  965    HD1  HIS 128           HD1      HIS 128 -47.813   8.654   2.881
  966    HD2  HIS 128           HD2      HIS 128 -44.896  11.215   4.367
  967    HE1  HIS 128           HE1      HIS 128 -49.067  10.538   3.978
  968    HE2  HIS 128           HE2      HIS 128 -47.282  12.120   4.786
  969    H    HIS 129           HN       HIS 129 -44.979  11.021   0.015
  970    HA   HIS 129           HA       HIS 129 -43.296  12.840   1.547
  971   1HB   HIS 129          HB2       HIS 129 -41.803  11.861  -0.169
  972   2HB   HIS 129          HB1       HIS 129 -42.906  12.418  -1.424
  973    HD1  HIS 129           HD1      HIS 129 -42.247  14.555  -2.453
  974    HD2  HIS 129           HD2      HIS 129 -40.831  14.222   1.439
  975    HE1  HIS 129           HE1      HIS 129 -40.879  16.627  -2.056
  976    HE2  HIS 129           HE2      HIS 129 -40.115  16.450   0.338
  977    H    HIS 130           HN       HIS 130 -44.835  12.853  -1.663
  978    HA   HIS 130           HA       HIS 130 -46.396  14.198  -2.610
  979   1HB   HIS 130          HB2       HIS 130 -47.300  14.542   0.255
  980   2HB   HIS 130          HB1       HIS 130 -48.221  15.044  -1.159
  981    HD1  HIS 130           HD1      HIS 130 -49.614  13.298  -2.314
  982    HD2  HIS 130           HD2      HIS 130 -47.045  11.686   0.525
  983    HE1  HIS 130           HE1      HIS 130 -50.288  10.886  -2.090
  984    HE2  HIS 130           HE2      HIS 130 -48.674   9.914  -0.419
  985    H    HIS 131           HN       HIS 131 -45.413  15.897  -3.518
  986    HA   HIS 131           HA       HIS 131 -45.180  18.337  -1.905
  987   1HB   HIS 131          HB2       HIS 131 -42.933  17.236  -2.160
  988   2HB   HIS 131          HB1       HIS 131 -43.079  17.470  -3.898
  989    HD1  HIS 131           HD1      HIS 131 -42.215  19.219  -0.764
  990    HD2  HIS 131           HD2      HIS 131 -42.945  20.202  -4.734
  991    HE1  HIS 131           HE1      HIS 131 -41.355  21.566  -1.044
  992    HE2  HIS 131           HE2      HIS 131 -41.762  22.122  -3.467
  993    H    HIS 132           HN       HIS 132 -45.498  20.268  -3.027
  994    HA   HIS 132           HA       HIS 132 -46.441  19.990  -5.804
  995   1HB   HIS 132          HB2       HIS 132 -47.672  21.633  -3.583
  996   2HB   HIS 132          HB1       HIS 132 -48.135  21.755  -5.278
  997    HD1  HIS 132           HD1      HIS 132 -49.947  20.233  -6.027
  998    HD2  HIS 132           HD2      HIS 132 -48.180  18.949  -2.492
  999    HE1  HIS 132           HE1      HIS 132 -51.306  18.256  -5.276
 1000    HE2  HIS 132           HE2      HIS 132 -50.160  17.436  -3.188
  Start of MODEL   19
    1   1H    MET   0           HT1      MET   0  35.439  -2.395   0.278
    2   2H    MET   0           HT2      MET   0  35.639  -3.888   1.047
    3   3H    MET   0           HT3      MET   0  34.841  -2.628   1.844
    4    HA   MET   0           HA       MET   0  33.901  -4.045  -0.579
    5   1HB   MET   0          HB2       MET   0  32.922  -4.066   2.282
    6   2HB   MET   0          HB1       MET   0  32.045  -4.773   0.934
    7   1HG   MET   0          HG2       MET   0  33.147  -6.556   1.972
    8   2HG   MET   0          HG1       MET   0  34.089  -6.203   0.525
    9   1HE   MET   0          HE1       MET   0  36.039  -7.662   1.514
   10   2HE   MET   0          HE2       MET   0  35.189  -7.960   3.030
   11   3HE   MET   0          HE3       MET   0  36.842  -7.348   3.053
   12    H    ASN   1           HN       ASN   1  32.458  -2.994  -1.780
   13    HA   ASN   1           HA       ASN   1  30.817  -0.889  -0.620
   14   1HB   ASN   1          HB2       ASN   1  33.074  -0.405  -2.455
   15   2HB   ASN   1          HB1       ASN   1  31.566   0.385  -2.907
   16   1HD2  ASN   1          HD21      ASN   1  30.635   0.661  -0.200
   17   2HD2  ASN   1          HD22      ASN   1  31.570   1.917   0.526
   18    H    CYS   2           HN       CYS   2  28.918  -0.505  -1.706
   19    HA   CYS   2           HA       CYS   2  28.273  -2.458  -3.795
   20   1HB   CYS   2          HB2       CYS   2  26.548  -0.878  -1.889
   21   2HB   CYS   2          HB1       CYS   2  25.887  -1.818  -3.222
   22    H    GLY   3           HN       GLY   3  26.632  -1.705  -5.437
   23   1HA   GLY   3          HA2       GLY   3  27.613   0.660  -6.734
   24   2HA   GLY   3          HA1       GLY   3  26.290  -0.360  -7.291
   25    HA   PRO   4           HA       PRO   4  25.265   3.980  -4.988
   26   1HB   PRO   4          HB2       PRO   4  24.461   4.338  -7.860
   27   2HB   PRO   4          HB1       PRO   4  24.911   5.563  -6.666
   28   1HG   PRO   4          HG2       PRO   4  26.682   4.718  -8.473
   29   2HG   PRO   4          HG1       PRO   4  27.173   5.055  -6.804
   30   1HD   PRO   4          HD2       PRO   4  26.893   2.459  -8.195
   31   2HD   PRO   4          HD1       PRO   4  27.886   2.886  -6.787
   32    HA   PRO   5           HA       PRO   5  21.349   1.999  -4.247
   33   1HB   PRO   5          HB2       PRO   5  20.613   4.789  -3.486
   34   2HB   PRO   5          HB1       PRO   5  20.370   3.280  -2.599
   35   1HG   PRO   5          HG2       PRO   5  22.304   4.950  -1.884
   36   2HG   PRO   5          HG1       PRO   5  22.582   3.197  -1.880
   37   1HD   PRO   5          HD2       PRO   5  23.492   5.260  -3.839
   38   2HD   PRO   5          HD1       PRO   5  24.336   3.813  -3.249
   39    HA   PRO   6           HA       PRO   6  19.190   3.153  -7.972
   40   1HB   PRO   6          HB2       PRO   6  17.188   1.184  -7.277
   41   2HB   PRO   6          HB1       PRO   6  18.428   1.093  -8.526
   42   1HG   PRO   6          HG2       PRO   6  18.413  -0.474  -6.289
   43   2HG   PRO   6          HG1       PRO   6  19.887  -0.035  -7.173
   44   1HD   PRO   6          HD2       PRO   6  18.764   1.138  -4.660
   45   2HD   PRO   6          HD1       PRO   6  20.452   0.776  -5.081
   46    H    THR   7           HN       THR   7  16.665   3.038  -8.413
   47    HA   THR   7           HA       THR   7  15.443   5.029  -6.633
   48    HB   THR   7           HB       THR   7  15.641   5.720  -8.954
   49    HG1  THR   7           HG1      THR   7  13.479   6.279  -9.248
   50   1HG2  THR   7          HG21      THR   7  15.705   3.518 -10.013
   51   2HG2  THR   7          HG22      THR   7  14.480   4.545 -10.759
   52   3HG2  THR   7          HG23      THR   7  14.000   3.279  -9.629
   53    H    LEU   8           HN       LEU   8  15.093   2.897  -5.212
   54    HA   LEU   8           HA       LEU   8  13.624   0.704  -6.053
   55   1HB   LEU   8          HB2       LEU   8  13.643   2.127  -3.389
   56   2HB   LEU   8          HB1       LEU   8  12.869   0.579  -3.661
   57    HG   LEU   8           HG       LEU   8  15.150  -0.296  -4.357
   58   1HD1  LEU   8          HD11      LEU   8  17.094   0.926  -3.578
   59   2HD1  LEU   8          HD12      LEU   8  16.066   2.248  -3.024
   60   3HD1  LEU   8          HD13      LEU   8  16.196   1.894  -4.747
   61   1HD2  LEU   8          HD21      LEU   8  14.145  -0.837  -2.217
   62   2HD2  LEU   8          HD22      LEU   8  14.740   0.675  -1.533
   63   3HD2  LEU   8          HD23      LEU   8  15.879  -0.577  -2.028
   64    H    SER   9           HN       SER   9  11.654   0.608  -6.920
   65    HA   SER   9           HA       SER   9   9.947   2.839  -7.094
   66   1HB   SER   9          HB2       SER   9   9.319  -0.096  -7.512
   67   2HB   SER   9          HB1       SER   9   8.285   1.243  -8.012
   68    HG   SER   9           HG       SER   9   9.662   1.751  -9.580
   69    H    PHE  10           HN       PHE  10  10.050   0.131  -4.857
   70    HA   PHE  10           HA       PHE  10   7.526   0.719  -3.655
   71   1HB   PHE  10          HB2       PHE  10   8.861  -0.804  -1.797
   72   2HB   PHE  10          HB1       PHE  10   7.851  -1.422  -3.097
   73    HD1  PHE  10           HD1      PHE  10  11.363  -0.457  -2.347
   74    HD2  PHE  10           HD2      PHE  10   8.733  -2.881  -4.651
   75    HE1  PHE  10           HE1      PHE  10  13.295  -1.666  -3.272
   76    HE2  PHE  10           HE2      PHE  10  10.660  -4.095  -5.579
   77    HZ   PHE  10           HZ       PHE  10  12.946  -3.488  -4.889
   78    H    ALA  11           HN       ALA  11  10.344   2.425  -3.486
   79    HA   ALA  11           HA       ALA  11   9.451   3.793  -1.066
   80   1HB   ALA  11          HB1       ALA  11  10.885   1.988  -0.248
   81   2HB   ALA  11          HB2       ALA  11  11.575   3.582   0.055
   82   3HB   ALA  11          HB3       ALA  11  12.200   2.587  -1.260
   83    H    ALA  12           HN       ALA  12  10.513   5.778  -0.705
   84    HA   ALA  12           HA       ALA  12  12.191   6.751  -2.919
   85   1HB   ALA  12          HB1       ALA  12  10.073   8.322  -1.444
   86   2HB   ALA  12          HB2       ALA  12   9.919   7.669  -3.076
   87   3HB   ALA  12          HB3       ALA  12  11.108   8.927  -2.739
   88    HA   PRO  13           HA       PRO  13  15.380   7.673   0.003
   89   1HB   PRO  13          HB2       PRO  13  15.388  10.330  -1.378
   90   2HB   PRO  13          HB1       PRO  13  16.746   9.277  -0.961
   91   1HG   PRO  13          HG2       PRO  13  15.822   9.372  -3.457
   92   2HG   PRO  13          HG1       PRO  13  16.345   7.838  -2.740
   93   1HD   PRO  13          HD2       PRO  13  13.599   8.824  -3.305
   94   2HD   PRO  13          HD1       PRO  13  14.219   7.163  -3.277
   95    H    MET  14           HN       MET  14  15.636   8.737   1.941
   96    HA   MET  14           HA       MET  14  13.588  10.741   2.613
   97   1HB   MET  14          HB2       MET  14  13.111   8.450   3.549
   98   2HB   MET  14          HB1       MET  14  14.578   8.610   4.504
   99   1HG   MET  14          HG2       MET  14  13.618  10.656   5.532
  100   2HG   MET  14          HG1       MET  14  12.120  10.333   4.661
  101   1HE   MET  14          HE1       MET  14  12.400  10.730   7.818
  102   2HE   MET  14          HE2       MET  14  11.358   9.452   8.447
  103   3HE   MET  14          HE3       MET  14  10.834  10.418   7.067
  104    H    ASP  15           HN       ASP  15  16.856   9.791   2.706
  105    HA   ASP  15           HA       ASP  15  17.654  12.342   3.743
  106   1HB   ASP  15          HB2       ASP  15  17.202  11.033   5.819
  107   2HB   ASP  15          HB1       ASP  15  18.436   9.882   5.314
  108    H    ILE  16           HN       ILE  16  19.782   9.728   4.344
  109    HA   ILE  16           HA       ILE  16  21.871   9.349   3.559
  110    HB   ILE  16           HB       ILE  16  20.805   7.679   2.316
  111   1HG1  ILE  16          HG12      ILE  16  22.075   7.572   0.250
  112   2HG1  ILE  16          HG11      ILE  16  22.400   9.297   0.340
  113   1HG2  ILE  16          HG21      ILE  16  19.838   9.852   0.491
  114   2HG2  ILE  16          HG22      ILE  16  18.874   8.753   1.478
  115   3HG2  ILE  16          HG23      ILE  16  19.760   8.138   0.082
  116   1HD1  ILE  16          HD11      ILE  16  23.405   7.145   2.177
  117   2HD1  ILE  16          HD12      ILE  16  23.594   8.871   2.486
  118   3HD1  ILE  16          HD13      ILE  16  24.340   8.143   1.064
  119    H    THR  17           HN       THR  17  23.033  11.173   3.701
  120    HA   THR  17           HA       THR  17  22.908  13.391   2.017
  121    HB   THR  17           HB       THR  17  25.369  13.708   2.578
  122    HG1  THR  17           HG1      THR  17  25.153  11.759   4.550
  123   1HG2  THR  17          HG21      THR  17  24.922  14.161   4.979
  124   2HG2  THR  17          HG22      THR  17  23.398  13.285   4.829
  125   3HG2  THR  17          HG23      THR  17  23.654  14.771   3.915
  126    H    LEU  18           HN       LEU  18  23.130  13.447  -0.121
  127    HA   LEU  18           HA       LEU  18  24.335  11.285  -1.533
  128   1HB   LEU  18          HB2       LEU  18  22.832  13.739  -2.216
  129   2HB   LEU  18          HB1       LEU  18  23.898  13.113  -3.453
  130    HG   LEU  18           HG       LEU  18  21.690  12.250  -3.836
  131   1HD1  LEU  18          HD11      LEU  18  23.485  10.709  -4.319
  132   2HD1  LEU  18          HD12      LEU  18  22.100   9.823  -3.681
  133   3HD1  LEU  18          HD13      LEU  18  23.493  10.147  -2.648
  134   1HD2  LEU  18          HD21      LEU  18  21.811  11.318  -0.977
  135   2HD2  LEU  18          HD22      LEU  18  20.576  10.825  -2.136
  136   3HD2  LEU  18          HD23      LEU  18  20.717  12.519  -1.663
  137    H    THR  19           HN       THR  19  26.170  12.599   0.153
  138    HA   THR  19           HA       THR  19  27.848  14.268  -1.533
  139    HB   THR  19           HB       THR  19  29.218  14.612   0.413
  140    HG1  THR  19           HG1      THR  19  28.778  13.437   2.349
  141   1HG2  THR  19          HG21      THR  19  27.496  15.396   2.062
  142   2HG2  THR  19          HG22      THR  19  26.267  14.624   1.055
  143   3HG2  THR  19          HG23      THR  19  27.232  15.952   0.409
  144    H    GLU  20           HN       GLU  20  27.334  11.090  -1.403
  145    HA   GLU  20           HA       GLU  20  30.042  10.473  -2.304
  146   1HB   GLU  20          HB2       GLU  20  28.589   9.036  -0.088
  147   2HB   GLU  20          HB1       GLU  20  29.901   8.289  -0.992
  148   1HG   GLU  20          HG2       GLU  20  30.119  10.843   0.586
  149   2HG   GLU  20          HG1       GLU  20  30.631   9.252   1.145
  150    H    THR  21           HN       THR  21  30.157   8.420  -3.484
  151    HA   THR  21           HA       THR  21  27.589   7.801  -4.789
  152    HB   THR  21           HB       THR  21  30.290   7.247  -5.998
  153    HG1  THR  21           HG1      THR  21  28.738   9.575  -6.506
  154   1HG2  THR  21          HG21      THR  21  28.379   6.126  -7.015
  155   2HG2  THR  21          HG22      THR  21  29.017   7.362  -8.100
  156   3HG2  THR  21          HG23      THR  21  27.544   7.670  -7.181
  157    H    ARG  22           HN       ARG  22  29.960   6.589  -2.745
  158    HA   ARG  22           HA       ARG  22  29.130   3.817  -3.289
  159   1HB   ARG  22          HB2       ARG  22  31.820   4.766  -2.303
  160   2HB   ARG  22          HB1       ARG  22  31.327   3.085  -2.449
  161   1HG   ARG  22          HG2       ARG  22  31.175   3.274  -4.835
  162   2HG   ARG  22          HG1       ARG  22  31.471   5.012  -4.757
  163   1HD   ARG  22          HD2       ARG  22  33.497   3.892  -5.417
  164   2HD   ARG  22          HD1       ARG  22  33.700   4.553  -3.796
  165    HE   ARG  22           HE       ARG  22  32.827   1.863  -3.669
  166   1HH1  ARG  22          HH11      ARG  22  35.631   3.815  -4.356
  167   2HH1  ARG  22          HH12      ARG  22  36.760   2.584  -3.897
  168   1HH2  ARG  22          HH21      ARG  22  34.309   0.235  -3.064
  169   2HH2  ARG  22          HH22      ARG  22  36.009   0.550  -3.163
  170    H    PHE  23           HN       PHE  23  29.110   2.427  -1.343
  171    HA   PHE  23           HA       PHE  23  29.072   3.767   1.239
  172   1HB   PHE  23          HB2       PHE  23  26.603   2.300   0.287
  173   2HB   PHE  23          HB1       PHE  23  26.795   3.244   1.762
  174    HD1  PHE  23           HD1      PHE  23  26.593   3.471  -1.915
  175    HD2  PHE  23           HD2      PHE  23  26.406   5.570   1.779
  176    HE1  PHE  23           HE1      PHE  23  25.807   5.470  -3.099
  177    HE2  PHE  23           HE2      PHE  23  25.609   7.575   0.599
  178    HZ   PHE  23           HZ       PHE  23  25.307   7.529  -1.843
  179    H    LYS  24           HN       LYS  24  30.312   2.462   2.400
  180    HA   LYS  24           HA       LYS  24  31.058  -0.111   1.801
  181   1HB   LYS  24          HB2       LYS  24  31.461  -0.245   4.397
  182   2HB   LYS  24          HB1       LYS  24  32.430   0.807   3.376
  183   1HG   LYS  24          HG2       LYS  24  31.911   2.205   5.120
  184   2HG   LYS  24          HG1       LYS  24  30.629   2.590   3.974
  185   1HD   LYS  24          HD2       LYS  24  29.068   1.209   5.151
  186   2HD   LYS  24          HD1       LYS  24  30.340   0.584   6.203
  187   1HE   LYS  24          HE2       LYS  24  30.684   2.855   7.094
  188   2HE   LYS  24          HE1       LYS  24  29.360   3.434   6.085
  189   1HZ   LYS  24          HZ1       LYS  24  28.695   2.976   8.393
  190   2HZ   LYS  24          HZ2       LYS  24  29.088   1.344   8.176
  191   3HZ   LYS  24          HZ3       LYS  24  27.837   2.039   7.275
  192    H    THR  25           HN       THR  25  30.725  -2.087   3.137
  193    HA   THR  25           HA       THR  25  28.037  -2.895   2.920
  194    HB   THR  25           HB       THR  25  28.949  -4.894   4.286
  195    HG1  THR  25           HG1      THR  25  31.422  -4.690   3.472
  196   1HG2  THR  25          HG21      THR  25  29.764  -5.923   2.261
  197   2HG2  THR  25          HG22      THR  25  30.102  -4.342   1.555
  198   3HG2  THR  25          HG23      THR  25  28.436  -4.842   1.836
  199    H    GLY  26           HN       GLY  26  29.299  -0.969   5.232
  200   1HA   GLY  26          HA2       GLY  26  27.706  -2.167   7.402
  201   2HA   GLY  26          HA1       GLY  26  28.988  -0.984   7.622
  202    H    THR  27           HN       THR  27  27.607   0.223   5.073
  203    HA   THR  27           HA       THR  27  26.249   2.303   6.454
  204    HB   THR  27           HB       THR  27  27.405   2.413   4.156
  205    HG1  THR  27           HG1      THR  27  24.836   3.602   4.165
  206   1HG2  THR  27          HG21      THR  27  26.378   1.628   2.301
  207   2HG2  THR  27          HG22      THR  27  24.763   1.993   2.917
  208   3HG2  THR  27          HG23      THR  27  25.598   0.530   3.443
  209    H    THR  28           HN       THR  28  23.976   2.994   5.776
  210    HA   THR  28           HA       THR  28  22.119   0.952   5.023
  211    HB   THR  28           HB       THR  28  22.039   1.903   7.895
  212    HG1  THR  28           HG1      THR  28  23.157   0.156   8.267
  213   1HG2  THR  28          HG21      THR  28  20.210   0.016   6.404
  214   2HG2  THR  28          HG22      THR  28  19.804   1.652   6.924
  215   3HG2  THR  28          HG23      THR  28  20.120   0.398   8.123
  216    H    LEU  29           HN       LEU  29  20.470   1.904   4.017
  217    HA   LEU  29           HA       LEU  29  20.197   4.782   4.189
  218   1HB   LEU  29          HB2       LEU  29  18.829   2.736   2.443
  219   2HB   LEU  29          HB1       LEU  29  18.520   4.458   2.356
  220    HG   LEU  29           HG       LEU  29  19.990   3.979   0.582
  221   1HD1  LEU  29          HD11      LEU  29  21.683   5.022   2.846
  222   2HD1  LEU  29          HD12      LEU  29  20.598   5.980   1.840
  223   3HD1  LEU  29          HD13      LEU  29  22.014   5.212   1.123
  224   1HD2  LEU  29          HD21      LEU  29  20.680   1.762   1.333
  225   2HD2  LEU  29          HD22      LEU  29  21.741   2.499   2.535
  226   3HD2  LEU  29          HD23      LEU  29  22.058   2.734   0.816
  227    H    LYS  30           HN       LYS  30  17.471   4.986   3.505
  228    HA   LYS  30           HA       LYS  30  16.052   3.949   5.847
  229   1HB   LYS  30          HB2       LYS  30  16.816   6.289   6.279
  230   2HB   LYS  30          HB1       LYS  30  15.862   6.809   4.896
  231   1HG   LYS  30          HG2       LYS  30  14.649   7.245   6.924
  232   2HG   LYS  30          HG1       LYS  30  13.833   5.970   6.017
  233   1HD   LYS  30          HD2       LYS  30  14.833   4.281   7.459
  234   2HD   LYS  30          HD1       LYS  30  15.702   5.535   8.346
  235   1HE   LYS  30          HE2       LYS  30  12.707   5.234   8.172
  236   2HE   LYS  30          HE1       LYS  30  13.712   4.818   9.560
  237   1HZ   LYS  30          HZ1       LYS  30  13.375   7.540   8.421
  238   2HZ   LYS  30          HZ2       LYS  30  14.350   7.144   9.745
  239   3HZ   LYS  30          HZ3       LYS  30  12.671   6.970   9.850
  240    H    TYR  31           HN       TYR  31  15.221   6.208   3.237
  241    HA   TYR  31           HA       TYR  31  13.654   6.166   1.602
  242   1HB   TYR  31          HB2       TYR  31  14.122   3.210   1.931
  243   2HB   TYR  31          HB1       TYR  31  12.977   3.844   0.751
  244    HD1  TYR  31           HD1      TYR  31  16.458   3.263   1.531
  245    HD2  TYR  31           HD2      TYR  31  13.810   5.310  -1.095
  246    HE1  TYR  31           HE1      TYR  31  18.302   3.594  -0.061
  247    HE2  TYR  31           HE2      TYR  31  15.646   5.645  -2.695
  248    HH   TYR  31           HH       TYR  31  18.135   5.744  -2.648
  249    H    THR  32           HN       THR  32  11.464   6.282   1.377
  250    HA   THR  32           HA       THR  32   9.889   5.527   3.736
  251    HB   THR  32           HB       THR  32   8.575   7.378   3.403
  252    HG1  THR  32           HG1      THR  32   8.577   8.340   1.119
  253   1HG2  THR  32          HG21      THR  32  11.069   8.181   1.901
  254   2HG2  THR  32          HG22      THR  32  10.896   8.159   3.658
  255   3HG2  THR  32          HG23      THR  32   9.932   9.275   2.691
  256    H    CYS  33           HN       CYS  33   7.359   5.902   2.372
  257    HA   CYS  33           HA       CYS  33   7.215   3.956   0.248
  258   1HB   CYS  33          HB2       CYS  33   6.571   3.255   3.041
  259   2HB   CYS  33          HB1       CYS  33   5.348   2.807   1.857
  260    H    LEU  34           HN       LEU  34   5.959   4.856  -1.083
  261    HA   LEU  34           HA       LEU  34   4.325   7.009  -0.840
  262   1HB   LEU  34          HB2       LEU  34   3.669   4.725  -2.691
  263   2HB   LEU  34          HB1       LEU  34   3.307   6.425  -2.921
  264    HG   LEU  34           HG       LEU  34   6.084   5.216  -2.895
  265   1HD1  LEU  34          HD11      LEU  34   5.127   4.527  -4.905
  266   2HD1  LEU  34          HD12      LEU  34   6.006   5.998  -5.321
  267   3HD1  LEU  34          HD13      LEU  34   4.253   6.044  -5.120
  268   1HD2  LEU  34          HD21      LEU  34   5.138   8.034  -3.395
  269   2HD2  LEU  34          HD22      LEU  34   6.770   7.449  -3.714
  270   3HD2  LEU  34          HD23      LEU  34   6.148   7.469  -2.064
  271    HA   PRO  35           HA       PRO  35   0.884   6.312   1.727
  272   1HB   PRO  35          HB2       PRO  35  -1.086   7.388   0.033
  273   2HB   PRO  35          HB1       PRO  35  -0.155   8.251   1.259
  274   1HG   PRO  35          HG2       PRO  35   0.296   8.059  -1.680
  275   2HG   PRO  35          HG1       PRO  35   0.579   9.424  -0.583
  276   1HD   PRO  35          HD2       PRO  35   2.611   7.964  -1.498
  277   2HD   PRO  35          HD1       PRO  35   2.598   8.551   0.180
  278    H    GLY  36           HN       GLY  36   0.179   4.328   2.052
  279   1HA   GLY  36          HA2       GLY  36  -1.560   2.748   1.875
  280   2HA   GLY  36          HA1       GLY  36  -1.822   3.253   0.216
  281    H    TYR  37           HN       TYR  37   1.346   2.962   0.217
  282    HA   TYR  37           HA       TYR  37   1.705   0.932  -1.416
  283   1HB   TYR  37          HB2       TYR  37   3.398   2.395   0.259
  284   2HB   TYR  37          HB1       TYR  37   3.813   0.698   0.514
  285    HD1  TYR  37           HD1      TYR  37   4.476  -0.709  -1.421
  286    HD2  TYR  37           HD2      TYR  37   3.865   3.478  -1.777
  287    HE1  TYR  37           HE1      TYR  37   5.627  -0.741  -3.594
  288    HE2  TYR  37           HE2      TYR  37   5.029   3.465  -3.950
  289    HH   TYR  37           HH       TYR  37   6.380   2.222  -5.312
  290    H    VAL  38           HN       VAL  38   0.653   0.314   1.854
  291    HA   VAL  38           HA       VAL  38  -0.018  -1.694   2.734
  292    HB   VAL  38           HB       VAL  38   0.561  -2.761  -0.045
  293   1HG1  VAL  38          HG11      VAL  38  -0.889  -4.631   0.567
  294   2HG1  VAL  38          HG12      VAL  38  -0.983  -4.006   2.216
  295   3HG1  VAL  38          HG13      VAL  38   0.562  -4.555   1.566
  296   1HG2  VAL  38          HG21      VAL  38  -1.150  -1.104  -0.178
  297   2HG2  VAL  38          HG22      VAL  38  -1.991  -1.781   1.217
  298   3HG2  VAL  38          HG23      VAL  38  -1.918  -2.687  -0.295
  299    H    ARG  39           HN       ARG  39   1.022  -3.919   3.333
  300    HA   ARG  39           HA       ARG  39   3.657  -4.468   2.553
  301   1HB   ARG  39          HB2       ARG  39   4.890  -3.751   4.578
  302   2HB   ARG  39          HB1       ARG  39   4.267  -2.404   3.636
  303   1HG   ARG  39          HG2       ARG  39   2.373  -2.223   5.210
  304   2HG   ARG  39          HG1       ARG  39   3.097  -3.507   6.180
  305   1HD   ARG  39          HD2       ARG  39   3.621  -1.288   7.073
  306   2HD   ARG  39          HD1       ARG  39   5.072  -2.146   6.554
  307    HE   ARG  39           HE       ARG  39   4.377  -0.655   4.387
  308   1HH1  ARG  39          HH11      ARG  39   4.986   0.064   7.741
  309   2HH1  ARG  39          HH12      ARG  39   5.581   1.660   7.424
  310   1HH2  ARG  39          HH21      ARG  39   5.159   1.443   3.961
  311   2HH2  ARG  39          HH22      ARG  39   5.679   2.443   5.276
  312    H    SER  40           HN       SER  40   4.837  -5.897   4.048
  313    HA   SER  40           HA       SER  40   3.020  -7.574   5.643
  314   1HB   SER  40          HB2       SER  40   3.582  -8.645   3.477
  315   2HB   SER  40          HB1       SER  40   5.296  -8.498   3.865
  316    HG   SER  40           HG       SER  40   3.425 -10.295   4.789
  317    H    HIS  41           HN       HIS  41   5.026  -5.361   6.165
  318    HA   HIS  41           HA       HIS  41   6.414  -4.773   7.858
  319   1HB   HIS  41          HB2       HIS  41   6.189  -7.605   8.868
  320   2HB   HIS  41          HB1       HIS  41   6.696  -6.188   9.778
  321    HD1  HIS  41           HD1      HIS  41   4.643  -4.220   9.707
  322    HD2  HIS  41           HD2      HIS  41   3.628  -8.241   9.448
  323    HE1  HIS  41           HE1      HIS  41   2.221  -4.346  10.371
  324    HE2  HIS  41           HE2      HIS  41   1.662  -6.801  10.314
  325    H    SER  42           HN       SER  42   7.792  -7.806   8.517
  326    HA   SER  42           HA       SER  42   9.790  -8.769   8.054
  327   1HB   SER  42          HB2       SER  42   9.585  -7.220   5.469
  328   2HB   SER  42          HB1       SER  42  10.760  -8.494   5.797
  329    HG   SER  42           HG       SER  42   8.587  -8.958   4.693
  330    H    THR  43           HN       THR  43  10.367  -5.736   6.368
  331    HA   THR  43           HA       THR  43  11.926  -4.581   8.477
  332    HB   THR  43           HB       THR  43  13.636  -5.046   6.104
  333    HG1  THR  43           HG1      THR  43  14.224  -7.090   7.538
  334   1HG2  THR  43          HG21      THR  43  15.379  -5.209   7.839
  335   2HG2  THR  43          HG22      THR  43  14.136  -5.079   9.084
  336   3HG2  THR  43          HG23      THR  43  14.434  -3.727   7.990
  337    H    GLN  44           HN       GLN  44  13.617  -2.969   6.915
  338    HA   GLN  44           HA       GLN  44  12.472  -1.748   4.689
  339   1HB   GLN  44          HB2       GLN  44  11.598   0.349   5.749
  340   2HB   GLN  44          HB1       GLN  44  10.617  -1.080   6.048
  341   1HG   GLN  44          HG2       GLN  44  11.562  -1.296   8.270
  342   2HG   GLN  44          HG1       GLN  44  12.615   0.086   7.975
  343   1HE2  GLN  44          HE21      GLN  44   9.392  -0.967   8.666
  344   2HE2  GLN  44          HE22      GLN  44   8.735   0.591   9.021
  345    H    THR  45           HN       THR  45  14.968  -2.225   4.818
  346    HA   THR  45           HA       THR  45  16.270   0.338   5.041
  347    HB   THR  45           HB       THR  45  18.166  -0.681   6.441
  348    HG1  THR  45           HG1      THR  45  17.250  -2.844   6.369
  349   1HG2  THR  45          HG21      THR  45  16.651   1.095   7.234
  350   2HG2  THR  45          HG22      THR  45  17.123  -0.008   8.528
  351   3HG2  THR  45          HG23      THR  45  15.524  -0.143   7.796
  352    H    LEU  46           HN       LEU  46  18.185   0.470   3.899
  353    HA   LEU  46           HA       LEU  46  18.786  -1.860   2.195
  354   1HB   LEU  46          HB2       LEU  46  18.663   1.058   1.654
  355   2HB   LEU  46          HB1       LEU  46  19.919   0.153   0.832
  356    HG   LEU  46           HG       LEU  46  18.229  -1.307  -0.175
  357   1HD1  LEU  46          HD11      LEU  46  15.870  -0.874   0.072
  358   2HD1  LEU  46          HD12      LEU  46  16.199   0.475   1.160
  359   3HD1  LEU  46          HD13      LEU  46  16.584  -1.173   1.658
  360   1HD2  LEU  46          HD21      LEU  46  17.347   0.256  -1.746
  361   2HD2  LEU  46          HD22      LEU  46  18.937   0.840  -1.254
  362   3HD2  LEU  46          HD23      LEU  46  17.480   1.579  -0.589
  363    H    THR  47           HN       THR  47  20.540  -2.873   2.952
  364    HA   THR  47           HA       THR  47  22.804  -1.236   3.915
  365    HB   THR  47           HB       THR  47  22.347  -4.145   4.589
  366    HG1  THR  47           HG1      THR  47  20.959  -3.526   6.063
  367   1HG2  THR  47          HG21      THR  47  24.632  -3.290   4.857
  368   2HG2  THR  47          HG22      THR  47  23.901  -3.684   6.413
  369   3HG2  THR  47          HG23      THR  47  24.025  -2.002   5.898
  370    H    CYS  48           HN       CYS  48  24.934  -1.853   3.245
  371    HA   CYS  48           HA       CYS  48  24.916  -3.111   0.659
  372   1HB   CYS  48          HB2       CYS  48  26.340  -1.129   1.021
  373   2HB   CYS  48          HB1       CYS  48  27.224  -1.984   2.273
  374    H    ASN  49           HN       ASN  49  25.016  -5.213   0.450
  375    HA   ASN  49           HA       ASN  49  26.236  -6.832   2.557
  376   1HB   ASN  49          HB2       ASN  49  25.153  -8.733   1.249
  377   2HB   ASN  49          HB1       ASN  49  24.046  -7.580   1.991
  378   1HD2  ASN  49          HD21      ASN  49  23.135  -5.936   0.645
  379   2HD2  ASN  49          HD22      ASN  49  22.893  -6.240  -1.039
  380    H    SER  50           HN       SER  50  27.240  -8.979   1.460
  381    HA   SER  50           HA       SER  50  29.410  -7.972  -0.206
  382   1HB   SER  50          HB2       SER  50  29.989  -9.315   1.775
  383   2HB   SER  50          HB1       SER  50  29.056 -10.669   1.140
  384    HG   SER  50           HG       SER  50  31.575 -10.155   0.693
  385    H    ASP  51           HN       ASP  51  27.495  -7.800  -1.832
  386    HA   ASP  51           HA       ASP  51  27.696 -10.062  -3.702
  387   1HB   ASP  51          HB2       ASP  51  25.540 -10.124  -2.245
  388   2HB   ASP  51          HB1       ASP  51  25.055  -8.735  -3.214
  389    H    GLY  52           HN       GLY  52  28.162  -6.925  -3.089
  390   1HA   GLY  52          HA2       GLY  52  28.551  -5.121  -4.440
  391   2HA   GLY  52          HA1       GLY  52  28.299  -6.175  -5.819
  392    H    GLU  53           HN       GLU  53  25.753  -6.219  -3.671
  393    HA   GLU  53           HA       GLU  53  24.331  -4.005  -4.985
  394   1HB   GLU  53          HB2       GLU  53  22.497  -5.312  -5.619
  395   2HB   GLU  53          HB1       GLU  53  23.887  -6.298  -6.052
  396   1HG   GLU  53          HG2       GLU  53  23.600  -7.578  -3.970
  397   2HG   GLU  53          HG1       GLU  53  22.177  -6.613  -3.594
  398    H    TRP  54           HN       TRP  54  22.020  -3.863  -3.968
  399    HA   TRP  54           HA       TRP  54  22.392  -3.720  -1.085
  400   1HB   TRP  54          HB2       TRP  54  20.322  -2.485  -2.917
  401   2HB   TRP  54          HB1       TRP  54  20.411  -2.231  -1.182
  402    HD1  TRP  54           HD1      TRP  54  21.716  -0.889  -4.398
  403    HE1  TRP  54           HE1      TRP  54  23.466   0.943  -3.944
  404    HE3  TRP  54           HE3      TRP  54  22.406  -1.649   0.598
  405    HZ2  TRP  54           HZ2      TRP  54  24.953   1.935  -1.758
  406    HZ3  TRP  54           HZ3      TRP  54  24.007  -0.218   1.802
  407    HH2  TRP  54           HH2      TRP  54  25.252   1.535   0.647
  408    H    VAL  55           HN       VAL  55  21.602  -5.252   0.119
  409    HA   VAL  55           HA       VAL  55  19.479  -7.043  -0.877
  410    HB   VAL  55           HB       VAL  55  21.815  -7.356   0.946
  411   1HG1  VAL  55          HG11      VAL  55  19.254  -8.882   1.372
  412   2HG1  VAL  55          HG12      VAL  55  19.967  -7.708   2.479
  413   3HG1  VAL  55          HG13      VAL  55  20.805  -9.224   2.140
  414   1HG2  VAL  55          HG21      VAL  55  21.693  -8.309  -1.352
  415   2HG2  VAL  55          HG22      VAL  55  20.386  -9.357  -0.797
  416   3HG2  VAL  55          HG23      VAL  55  21.997  -9.503  -0.090
  417    H    TYR  56           HN       TYR  56  17.677  -7.481   0.445
  418    HA   TYR  56           HA       TYR  56  17.283  -6.582   2.981
  419   1HB   TYR  56          HB2       TYR  56  15.868  -4.501   2.601
  420   2HB   TYR  56          HB1       TYR  56  17.595  -4.302   2.314
  421    HD1  TYR  56           HD1      TYR  56  14.311  -4.688   0.661
  422    HD2  TYR  56           HD2      TYR  56  18.427  -3.737   0.149
  423    HE1  TYR  56           HE1      TYR  56  13.836  -3.880  -1.612
  424    HE2  TYR  56           HE2      TYR  56  17.962  -2.924  -2.125
  425    HH   TYR  56           HH       TYR  56  14.799  -2.387  -3.276
  426    H    ASN  57           HN       ASN  57  14.816  -6.221   3.510
  427    HA   ASN  57           HA       ASN  57  13.360  -8.248   1.995
  428   1HB   ASN  57          HB2       ASN  57  13.539  -7.694   4.714
  429   2HB   ASN  57          HB1       ASN  57  11.940  -7.104   4.266
  430   1HD2  ASN  57          HD21      ASN  57  13.969  -9.863   4.656
  431   2HD2  ASN  57          HD22      ASN  57  12.748 -11.062   4.418
  432    H    THR  58           HN       THR  58  10.908  -7.802   1.812
  433    HA   THR  58           HA       THR  58  10.635  -5.317   0.341
  434    HB   THR  58           HB       THR  58   8.415  -7.308   0.722
  435    HG1  THR  58           HG1      THR  58   9.996  -8.649   0.010
  436   1HG2  THR  58          HG21      THR  58   9.231  -5.488  -1.548
  437   2HG2  THR  58          HG22      THR  58   7.882  -5.238  -0.440
  438   3HG2  THR  58          HG23      THR  58   7.854  -6.590  -1.573
  439    H    PHE  59           HN       PHE  59  10.581  -3.731   1.915
  440    HA   PHE  59           HA       PHE  59   9.055  -3.809   4.261
  441   1HB   PHE  59          HB2       PHE  59   9.239  -1.198   3.981
  442   2HB   PHE  59          HB1       PHE  59  10.660  -2.168   4.347
  443    HD1  PHE  59           HD1      PHE  59  12.547  -1.949   3.052
  444    HD2  PHE  59           HD2      PHE  59   8.786  -0.761   1.456
  445    HE1  PHE  59           HE1      PHE  59  13.680  -1.054   1.061
  446    HE2  PHE  59           HE2      PHE  59   9.912   0.136  -0.537
  447    HZ   PHE  59           HZ       PHE  59  12.362  -0.010  -0.737
  448    H    CYS  60           HN       CYS  60   8.132  -3.097   0.987
  449    HA   CYS  60           HA       CYS  60   5.372  -2.780   1.881
  450   1HB   CYS  60          HB2       CYS  60   6.771  -0.794   0.080
  451   2HB   CYS  60          HB1       CYS  60   5.030  -0.841   0.350
  452    H    ILE  61           HN       ILE  61   3.822  -3.444   0.392
  453    HA   ILE  61           HA       ILE  61   4.904  -4.860  -1.947
  454    HB   ILE  61           HB       ILE  61   2.696  -6.212  -1.685
  455   1HG1  ILE  61          HG12      ILE  61   3.049  -4.963   1.045
  456   2HG1  ILE  61          HG11      ILE  61   1.623  -4.894   0.015
  457   1HG2  ILE  61          HG21      ILE  61   5.146  -6.460   0.040
  458   2HG2  ILE  61          HG22      ILE  61   4.765  -7.313  -1.457
  459   3HG2  ILE  61          HG23      ILE  61   3.880  -7.688   0.023
  460   1HD1  ILE  61          HD11      ILE  61   1.316  -7.312   0.327
  461   2HD1  ILE  61          HD12      ILE  61   1.260  -6.416   1.845
  462   3HD1  ILE  61          HD13      ILE  61   2.706  -7.328   1.411
  463    H    TYR  62           HN       TYR  62   1.983  -3.202  -0.817
  464    HA   TYR  62           HA       TYR  62   0.534  -1.766  -1.875
  465   1HB   TYR  62          HB2       TYR  62   2.814  -1.080  -3.005
  466   2HB   TYR  62          HB1       TYR  62   2.080  -1.822  -4.428
  467    HD1  TYR  62           HD1      TYR  62   2.874   1.145  -3.525
  468    HD2  TYR  62           HD2      TYR  62  -0.780  -0.966  -4.018
  469    HE1  TYR  62           HE1      TYR  62   1.726   3.276  -3.903
  470    HE2  TYR  62           HE2      TYR  62  -1.958   1.162  -4.412
  471    HH   TYR  62           HH       TYR  62  -0.235   4.167  -4.803
  472    H    LYS  63           HN       LYS  63  -1.318  -2.621  -2.215
  473    HA   LYS  63           HA       LYS  63  -2.018  -3.844  -4.683
  474   1HB   LYS  63          HB2       LYS  63  -2.738  -6.024  -3.747
  475   2HB   LYS  63          HB1       LYS  63  -0.995  -5.804  -3.688
  476   1HG   LYS  63          HG2       LYS  63  -1.282  -5.067  -1.299
  477   2HG   LYS  63          HG1       LYS  63  -2.954  -5.616  -1.420
  478   1HD   LYS  63          HD2       LYS  63  -1.802  -7.431  -0.490
  479   2HD   LYS  63          HD1       LYS  63  -1.982  -7.839  -2.193
  480   1HE   LYS  63          HE2       LYS  63   0.293  -7.000  -2.615
  481   2HE   LYS  63          HE1       LYS  63   0.469  -6.712  -0.886
  482   1HZ   LYS  63          HZ1       LYS  63   1.459  -8.818  -1.562
  483   2HZ   LYS  63          HZ2       LYS  63  -0.038  -9.356  -2.136
  484   3HZ   LYS  63          HZ3       LYS  63   0.179  -9.066  -0.483
  485    H    ARG  64           HN       ARG  64  -3.789  -2.572  -4.919
  486    HA   ARG  64           HA       ARG  64  -5.574  -2.146  -2.649
  487   1HB   ARG  64          HB2       ARG  64  -6.698  -0.532  -4.240
  488   2HB   ARG  64          HB1       ARG  64  -5.045  -0.135  -3.791
  489   1HG   ARG  64          HG2       ARG  64  -5.310  -1.759  -6.221
  490   2HG   ARG  64          HG1       ARG  64  -5.994  -0.134  -6.322
  491   1HD   ARG  64          HD2       ARG  64  -3.218  -0.679  -5.300
  492   2HD   ARG  64          HD1       ARG  64  -3.567  -0.374  -7.002
  493    HE   ARG  64           HE       ARG  64  -3.974   1.553  -4.811
  494   1HH1  ARG  64          HH11      ARG  64  -3.531   0.817  -8.189
  495   2HH1  ARG  64          HH12      ARG  64  -3.354   2.474  -8.659
  496   1HH2  ARG  64          HH21      ARG  64  -3.739   3.738  -5.423
  497   2HH2  ARG  64          HH22      ARG  64  -3.470   4.134  -7.088
  498    H    CYS  65           HN       CYS  65  -7.988  -1.765  -3.833
  499    HA   CYS  65           HA       CYS  65  -8.623  -4.390  -5.018
  500   1HB   CYS  65          HB2       CYS  65 -10.422  -2.808  -3.171
  501   2HB   CYS  65          HB1       CYS  65 -10.680  -4.444  -3.768
  502    H    ARG  66           HN       ARG  66 -10.631  -4.376  -6.340
  503    HA   ARG  66           HA       ARG  66 -10.588  -2.140  -8.080
  504   1HB   ARG  66          HB2       ARG  66 -11.093  -4.403  -8.907
  505   2HB   ARG  66          HB1       ARG  66 -12.568  -4.430  -7.951
  506   1HG   ARG  66          HG2       ARG  66 -13.026  -3.974 -10.299
  507   2HG   ARG  66          HG1       ARG  66 -13.486  -2.612  -9.276
  508   1HD   ARG  66          HD2       ARG  66 -11.481  -1.418  -9.887
  509   2HD   ARG  66          HD1       ARG  66 -10.893  -2.807 -10.802
  510    HE   ARG  66           HE       ARG  66 -13.404  -2.015 -11.798
  511   1HH1  ARG  66          HH11      ARG  66 -10.086  -0.960 -11.694
  512   2HH1  ARG  66          HH12      ARG  66 -10.179  -0.095 -13.192
  513   1HH2  ARG  66          HH21      ARG  66 -13.537  -0.880 -13.771
  514   2HH2  ARG  66          HH22      ARG  66 -12.141  -0.049 -14.372
  515    H    HIS  67           HN       HIS  67 -12.028  -0.478  -8.325
  516    HA   HIS  67           HA       HIS  67 -13.226   0.587  -6.081
  517   1HB   HIS  67          HB2       HIS  67 -13.886   1.083  -8.988
  518   2HB   HIS  67          HB1       HIS  67 -14.373   2.113  -7.651
  519    HD1  HIS  67           HD1      HIS  67 -11.574   1.417  -9.923
  520    HD2  HIS  67           HD2      HIS  67 -12.204   3.512  -6.390
  521    HE1  HIS  67           HE1      HIS  67  -9.576   2.925  -9.670
  522    HE2  HIS  67           HE2      HIS  67  -9.979   4.186  -7.527
  523    HA   PRO  68           HA       PRO  68 -16.882  -1.940  -5.366
  524   1HB   PRO  68          HB2       PRO  68 -18.259   0.229  -4.245
  525   2HB   PRO  68          HB1       PRO  68 -17.337  -0.995  -3.374
  526   1HG   PRO  68          HG2       PRO  68 -16.544   1.751  -4.188
  527   2HG   PRO  68          HG1       PRO  68 -16.079   0.821  -2.753
  528   1HD   PRO  68          HD2       PRO  68 -14.376   1.170  -4.784
  529   2HD   PRO  68          HD1       PRO  68 -14.454  -0.380  -3.916
  530    H    GLY  69           HN       GLY  69 -16.897   1.276  -6.786
  531   1HA   GLY  69          HA2       GLY  69 -17.928   1.677  -8.916
  532   2HA   GLY  69          HA1       GLY  69 -19.109   0.431  -8.532
  533    H    GLU  70           HN       GLU  70 -20.483   2.263  -9.292
  534    HA   GLU  70           HA       GLU  70 -20.887   4.431  -7.415
  535   1HB   GLU  70          HB2       GLU  70 -21.160   4.834  -9.846
  536   2HB   GLU  70          HB1       GLU  70 -22.474   3.667  -9.876
  537   1HG   GLU  70          HG2       GLU  70 -23.341   5.921  -9.849
  538   2HG   GLU  70          HG1       GLU  70 -23.766   5.080  -8.357
  539    H    LEU  71           HN       LEU  71 -22.365   4.589  -5.899
  540    HA   LEU  71           HA       LEU  71 -23.970   2.211  -5.337
  541   1HB   LEU  71          HB2       LEU  71 -22.470   3.640  -3.661
  542   2HB   LEU  71          HB1       LEU  71 -23.938   4.588  -3.531
  543    HG   LEU  71           HG       LEU  71 -23.584   1.675  -2.819
  544   1HD1  LEU  71          HD11      LEU  71 -24.071   2.385  -0.578
  545   2HD1  LEU  71          HD12      LEU  71 -24.337   4.042  -1.122
  546   3HD1  LEU  71          HD13      LEU  71 -22.724   3.332  -1.210
  547   1HD2  LEU  71          HD21      LEU  71 -25.950   1.814  -2.037
  548   2HD2  LEU  71          HD22      LEU  71 -25.756   1.851  -3.791
  549   3HD2  LEU  71          HD23      LEU  71 -26.089   3.342  -2.910
  550    H    ARG  72           HN       ARG  72 -25.761   2.316  -6.664
  551    HA   ARG  72           HA       ARG  72 -27.154   4.727  -7.198
  552   1HB   ARG  72          HB2       ARG  72 -27.495   2.836  -8.689
  553   2HB   ARG  72          HB1       ARG  72 -28.048   1.831  -7.356
  554   1HG   ARG  72          HG2       ARG  72 -30.028   3.246  -7.110
  555   2HG   ARG  72          HG1       ARG  72 -29.478   4.241  -8.462
  556   1HD   ARG  72          HD2       ARG  72 -30.128   1.299  -8.595
  557   2HD   ARG  72          HD1       ARG  72 -31.175   2.605  -9.148
  558    HE   ARG  72           HE       ARG  72 -28.647   2.776 -10.402
  559   1HH1  ARG  72          HH11      ARG  72 -31.587   0.904 -10.417
  560   2HH1  ARG  72          HH12      ARG  72 -31.437   0.445 -12.081
  561   1HH2  ARG  72          HH21      ARG  72 -28.444   2.177 -12.592
  562   2HH2  ARG  72          HH22      ARG  72 -29.651   1.168 -13.317
  563    H    ASN  73           HN       ASN  73 -28.394   5.886  -6.091
  564    HA   ASN  73           HA       ASN  73 -29.543   6.734  -4.319
  565   1HB   ASN  73          HB2       ASN  73 -30.414   3.854  -3.894
  566   2HB   ASN  73          HB1       ASN  73 -31.219   5.288  -3.265
  567   1HD2  ASN  73          HD21      ASN  73 -32.212   3.150  -4.995
  568   2HD2  ASN  73          HD22      ASN  73 -32.801   3.932  -6.419
  569    H    GLY  74           HN       GLY  74 -26.893   6.327  -3.924
  570   1HA   GLY  74          HA2       GLY  74 -26.719   6.095  -1.130
  571   2HA   GLY  74          HA1       GLY  74 -26.117   4.621  -1.867
  572    H    GLN  75           HN       GLN  75 -24.283   5.726  -0.467
  573    HA   GLN  75           HA       GLN  75 -22.538   7.065  -2.406
  574   1HB   GLN  75          HB2       GLN  75 -23.398   8.793  -0.896
  575   2HB   GLN  75          HB1       GLN  75 -22.858   7.861   0.494
  576   1HG   GLN  75          HG2       GLN  75 -21.301   9.628   0.090
  577   2HG   GLN  75          HG1       GLN  75 -20.531   8.093  -0.306
  578   1HE2  GLN  75          HE21      GLN  75 -21.807  11.068  -1.550
  579   2HE2  GLN  75          HE22      GLN  75 -21.147  10.926  -3.140
  580    H    VAL  76           HN       VAL  76 -20.496   6.342  -2.454
  581    HA   VAL  76           HA       VAL  76 -19.817   4.219  -0.541
  582    HB   VAL  76           HB       VAL  76 -19.643   3.043  -2.433
  583   1HG1  VAL  76          HG11      VAL  76 -18.972   5.570  -3.906
  584   2HG1  VAL  76          HG12      VAL  76 -20.527   4.740  -3.856
  585   3HG1  VAL  76          HG13      VAL  76 -19.147   3.977  -4.645
  586   1HG2  VAL  76          HG21      VAL  76 -17.378   2.898  -3.266
  587   2HG2  VAL  76          HG22      VAL  76 -17.362   3.157  -1.519
  588   3HG2  VAL  76          HG23      VAL  76 -17.011   4.495  -2.614
  589    H    GLU  77           HN       GLU  77 -18.509   4.995   1.019
  590    HA   GLU  77           HA       GLU  77 -16.964   7.343   0.756
  591   1HB   GLU  77          HB2       GLU  77 -17.788   6.471   2.923
  592   2HB   GLU  77          HB1       GLU  77 -16.649   5.136   2.794
  593   1HG   GLU  77          HG2       GLU  77 -15.714   6.771   4.250
  594   2HG   GLU  77          HG1       GLU  77 -14.802   6.797   2.743
  595    H    ILE  78           HN       ILE  78 -15.392   7.432  -0.727
  596    HA   ILE  78           HA       ILE  78 -13.244   5.424  -0.551
  597    HB   ILE  78           HB       ILE  78 -14.437   6.614  -3.051
  598   1HG1  ILE  78          HG12      ILE  78 -15.465   4.551  -2.187
  599   2HG1  ILE  78          HG11      ILE  78 -14.669   4.282  -3.733
  600   1HG2  ILE  78          HG21      ILE  78 -12.034   6.835  -3.239
  601   2HG2  ILE  78          HG22      ILE  78 -12.605   5.547  -4.301
  602   3HG2  ILE  78          HG23      ILE  78 -11.817   5.147  -2.774
  603   1HD1  ILE  78          HD11      ILE  78 -12.739   3.327  -2.525
  604   2HD1  ILE  78          HD12      ILE  78 -14.236   2.429  -2.280
  605   3HD1  ILE  78          HD13      ILE  78 -13.637   3.506  -1.018
  606    H    LYS  79           HN       LYS  79 -11.212   6.217  -0.449
  607    HA   LYS  79           HA       LYS  79 -10.522   8.849  -1.330
  608   1HB   LYS  79          HB2       LYS  79  -9.946   9.779   0.858
  609   2HB   LYS  79          HB1       LYS  79 -11.667   9.436   0.758
  610   1HG   LYS  79          HG2       LYS  79  -9.657   7.629   2.081
  611   2HG   LYS  79          HG1       LYS  79 -10.613   8.845   2.930
  612   1HD   LYS  79          HD2       LYS  79 -12.671   7.710   2.110
  613   2HD   LYS  79          HD1       LYS  79 -11.649   6.441   1.429
  614   1HE   LYS  79          HE2       LYS  79 -10.745   6.025   3.700
  615   2HE   LYS  79          HE1       LYS  79 -11.888   7.205   4.336
  616   1HZ   LYS  79          HZ1       LYS  79 -12.590   4.687   2.927
  617   2HZ   LYS  79          HZ2       LYS  79 -13.700   5.828   3.499
  618   3HZ   LYS  79          HZ3       LYS  79 -12.732   4.970   4.589
  619    H    THR  80           HN       THR  80  -9.686   6.109   0.722
  620    HA   THR  80           HA       THR  80  -6.863   6.576   0.513
  621    HB   THR  80           HB       THR  80  -6.592   4.618   1.845
  622    HG1  THR  80           HG1      THR  80  -9.213   4.018   0.951
  623   1HG2  THR  80          HG21      THR  80  -8.504   5.014   3.589
  624   2HG2  THR  80          HG22      THR  80  -8.913   6.374   2.536
  625   3HG2  THR  80          HG23      THR  80  -7.315   6.280   3.280
  626    H    ASP  81           HN       ASP  81  -8.710   5.902  -1.899
  627    HA   ASP  81           HA       ASP  81  -8.441   4.866  -3.922
  628   1HB   ASP  81          HB2       ASP  81  -5.694   4.433  -2.792
  629   2HB   ASP  81          HB1       ASP  81  -6.149   3.970  -4.429
  630    H    LEU  82           HN       LEU  82  -8.742   3.316  -1.172
  631    HA   LEU  82           HA       LEU  82  -9.373   1.212  -0.575
  632   1HB   LEU  82          HB2       LEU  82  -9.204   0.711  -3.533
  633   2HB   LEU  82          HB1       LEU  82  -9.920  -0.387  -2.369
  634    HG   LEU  82           HG       LEU  82 -11.282   1.939  -1.887
  635   1HD1  LEU  82          HD11      LEU  82 -10.309   3.075  -3.784
  636   2HD1  LEU  82          HD12      LEU  82 -12.013   2.743  -4.098
  637   3HD1  LEU  82          HD13      LEU  82 -10.768   1.747  -4.851
  638   1HD2  LEU  82          HD21      LEU  82 -12.186  -0.296  -2.041
  639   2HD2  LEU  82          HD22      LEU  82 -11.964  -0.277  -3.791
  640   3HD2  LEU  82          HD23      LEU  82 -13.114   0.828  -3.035
  641    H    SER  83           HN       SER  83  -6.922   1.664   0.018
  642    HA   SER  83           HA       SER  83  -5.107  -0.227  -1.221
  643   1HB   SER  83          HB2       SER  83  -4.720   1.581   1.182
  644   2HB   SER  83          HB1       SER  83  -3.455   0.636   0.398
  645    HG   SER  83           HG       SER  83  -3.967   3.024  -0.193
  646    H    PHE  84           HN       PHE  84  -4.778  -2.259  -0.539
  647    HA   PHE  84           HA       PHE  84  -6.291  -3.772   1.035
  648   1HB   PHE  84          HB2       PHE  84  -4.471  -4.814  -0.081
  649   2HB   PHE  84          HB1       PHE  84  -3.284  -3.847   0.787
  650    HD1  PHE  84           HD1      PHE  84  -2.472  -4.505   2.914
  651    HD2  PHE  84           HD2      PHE  84  -5.663  -6.643   1.081
  652    HE1  PHE  84           HE1      PHE  84  -2.218  -6.300   4.576
  653    HE2  PHE  84           HE2      PHE  84  -5.415  -8.441   2.742
  654    HZ   PHE  84           HZ       PHE  84  -3.691  -8.272   4.493
  655    H    GLY  85           HN       GLY  85  -6.797  -4.060   3.164
  656   1HA   GLY  85          HA2       GLY  85  -6.533  -3.925   5.476
  657   2HA   GLY  85          HA1       GLY  85  -5.079  -2.966   5.234
  658    H    SER  86           HN       SER  86  -8.054  -2.158   3.587
  659    HA   SER  86           HA       SER  86  -8.441   0.077   5.458
  660   1HB   SER  86          HB2       SER  86  -9.031   1.532   3.544
  661   2HB   SER  86          HB1       SER  86  -7.356   0.974   3.481
  662    HG   SER  86           HG       SER  86  -9.567   0.057   1.968
  663    H    GLN  87           HN       GLN  87 -10.488   1.019   5.513
  664    HA   GLN  87           HA       GLN  87 -12.654  -0.837   4.775
  665   1HB   GLN  87          HB2       GLN  87 -12.808  -0.972   7.048
  666   2HB   GLN  87          HB1       GLN  87 -12.067   0.599   7.299
  667   1HG   GLN  87          HG2       GLN  87 -14.791   0.532   6.132
  668   2HG   GLN  87          HG1       GLN  87 -14.608   0.136   7.840
  669   1HE2  GLN  87          HE21      GLN  87 -14.442   2.606   5.443
  670   2HE2  GLN  87          HE22      GLN  87 -14.212   3.938   6.516
  671    H    ILE  88           HN       ILE  88 -14.371  -0.032   3.677
  672    HA   ILE  88           HA       ILE  88 -14.515   2.889   3.293
  673    HB   ILE  88           HB       ILE  88 -15.328   2.482   0.984
  674   1HG1  ILE  88          HG12      ILE  88 -14.179  -0.286   1.170
  675   2HG1  ILE  88          HG11      ILE  88 -15.871   0.001   1.566
  676   1HG2  ILE  88          HG21      ILE  88 -12.563   1.453   1.603
  677   2HG2  ILE  88          HG22      ILE  88 -13.030   3.140   1.379
  678   3HG2  ILE  88          HG23      ILE  88 -13.117   2.013   0.025
  679   1HD1  ILE  88          HD11      ILE  88 -15.701  -0.715  -0.711
  680   2HD1  ILE  88          HD12      ILE  88 -14.518   0.545  -1.062
  681   3HD1  ILE  88          HD13      ILE  88 -16.184   0.982  -0.681
  682    H    GLU  89           HN       GLU  89 -16.283   3.571   4.283
  683    HA   GLU  89           HA       GLU  89 -18.531   1.839   4.744
  684   1HB   GLU  89          HB2       GLU  89 -18.672   4.784   5.218
  685   2HB   GLU  89          HB1       GLU  89 -19.326   3.466   6.180
  686   1HG   GLU  89          HG2       GLU  89 -17.053   2.897   6.912
  687   2HG   GLU  89          HG1       GLU  89 -16.436   4.260   5.982
  688    H    PHE  90           HN       PHE  90 -20.776   3.077   4.440
  689    HA   PHE  90           HA       PHE  90 -20.891   4.269   1.778
  690   1HB   PHE  90          HB2       PHE  90 -22.528   1.871   2.627
  691   2HB   PHE  90          HB1       PHE  90 -22.806   2.804   1.161
  692    HD1  PHE  90           HD1      PHE  90 -21.159   2.747  -0.686
  693    HD2  PHE  90           HD2      PHE  90 -20.777   0.275   2.773
  694    HE1  PHE  90           HE1      PHE  90 -19.575   1.311  -1.894
  695    HE2  PHE  90           HE2      PHE  90 -19.185  -1.161   1.562
  696    HZ   PHE  90           HZ       PHE  90 -18.582  -0.645  -0.769
  697    H    SER  91           HN       SER  91 -23.483   4.637   1.378
  698    HA   SER  91           HA       SER  91 -24.857   5.471   3.755
  699   1HB   SER  91          HB2       SER  91 -23.696   7.592   1.942
  700   2HB   SER  91          HB1       SER  91 -24.937   7.893   3.159
  701    HG   SER  91           HG       SER  91 -23.438   7.915   4.619
  702    H    CYS  92           HN       CYS  92 -26.878   4.926   3.313
  703    HA   CYS  92           HA       CYS  92 -27.795   5.077   0.552
  704   1HB   CYS  92          HB2       CYS  92 -28.187   3.061   2.140
  705   2HB   CYS  92          HB1       CYS  92 -29.495   4.039   2.801
  706    H    SER  93           HN       SER  93 -28.911   6.680  -0.187
  707    HA   SER  93           HA       SER  93 -29.328   9.076   0.977
  708   1HB   SER  93          HB2       SER  93 -30.902   7.715  -1.189
  709   2HB   SER  93          HB1       SER  93 -31.248   9.373  -0.691
  710    HG   SER  93           HG       SER  93 -29.078   8.338  -2.080
  711    H    GLU  94           HN       GLU  94 -31.246  10.252   1.469
  712    HA   GLU  94           HA       GLU  94 -32.495   9.916   3.758
  713   1HB   GLU  94          HB2       GLU  94 -32.917  11.855   2.484
  714   2HB   GLU  94          HB1       GLU  94 -33.694  10.931   1.206
  715   1HG   GLU  94          HG2       GLU  94 -35.551  10.419   2.654
  716   2HG   GLU  94          HG1       GLU  94 -34.762  11.240   4.000
  717    H    GLY  95           HN       GLY  95 -34.472   8.883   0.980
  718   1HA   GLY  95          HA2       GLY  95 -36.285   7.564   2.737
  719   2HA   GLY  95          HA1       GLY  95 -36.322   7.531   0.988
  720    H    PHE  96           HN       PHE  96 -33.362   6.402   1.279
  721    HA   PHE  96           HA       PHE  96 -34.356   3.649   1.647
  722   1HB   PHE  96          HB2       PHE  96 -31.922   3.916   0.051
  723   2HB   PHE  96          HB1       PHE  96 -33.380   2.984  -0.271
  724    HD1  PHE  96           HD1      PHE  96 -31.531   5.971  -0.971
  725    HD2  PHE  96           HD2      PHE  96 -35.353   4.129  -1.292
  726    HE1  PHE  96           HE1      PHE  96 -32.187   7.627  -2.680
  727    HE2  PHE  96           HE2      PHE  96 -36.015   5.772  -2.998
  728    HZ   PHE  96           HZ       PHE  96 -34.429   7.526  -3.696
  729    H    PHE  97           HN       PHE  97 -33.170   2.252   2.882
  730    HA   PHE  97           HA       PHE  97 -30.988   3.491   4.398
  731   1HB   PHE  97          HB2       PHE  97 -31.466   1.970   6.180
  732   2HB   PHE  97          HB1       PHE  97 -32.989   2.659   5.645
  733    HD1  PHE  97           HD1      PHE  97 -31.414  -0.273   6.610
  734    HD2  PHE  97           HD2      PHE  97 -34.203   1.211   3.757
  735    HE1  PHE  97           HE1      PHE  97 -32.367  -2.529   6.371
  736    HE2  PHE  97           HE2      PHE  97 -35.156  -1.044   3.510
  737    HZ   PHE  97           HZ       PHE  97 -34.240  -2.916   4.822
  738    H    LEU  98           HN       LEU  98 -29.303   2.036   5.182
  739    HA   LEU  98           HA       LEU  98 -28.098   0.675   2.936
  740   1HB   LEU  98          HB2       LEU  98 -26.929   2.245   4.564
  741   2HB   LEU  98          HB1       LEU  98 -27.021   0.955   5.742
  742    HG   LEU  98           HG       LEU  98 -24.809   1.139   4.658
  743   1HD1  LEU  98          HD11      LEU  98 -24.554  -1.245   4.083
  744   2HD1  LEU  98          HD12      LEU  98 -26.309  -1.412   4.119
  745   3HD1  LEU  98          HD13      LEU  98 -25.437  -0.983   5.589
  746   1HD2  LEU  98          HD21      LEU  98 -25.586   1.874   2.451
  747   2HD2  LEU  98          HD22      LEU  98 -26.224   0.255   2.155
  748   3HD2  LEU  98          HD23      LEU  98 -24.487   0.497   2.364
  749    H    ILE  99           HN       ILE  99 -27.824  -1.469   2.694
  750    HA   ILE  99           HA       ILE  99 -28.113  -3.352   4.881
  751    HB   ILE  99           HB       ILE  99 -29.704  -4.264   2.638
  752   1HG1  ILE  99          HG12      ILE  99 -30.949  -2.009   4.176
  753   2HG1  ILE  99          HG11      ILE  99 -30.104  -1.722   2.662
  754   1HG2  ILE  99          HG21      ILE  99 -31.285  -4.843   4.400
  755   2HG2  ILE  99          HG22      ILE  99 -30.366  -3.877   5.554
  756   3HG2  ILE  99          HG23      ILE  99 -29.645  -5.319   4.840
  757   1HD1  ILE  99          HD11      ILE  99 -31.636  -3.257   1.527
  758   2HD1  ILE  99          HD12      ILE  99 -32.476  -1.900   2.277
  759   3HD1  ILE  99          HD13      ILE  99 -32.506  -3.489   3.043
  760    H    GLY 100           HN       GLY 100 -26.064  -3.906   4.464
  761   1HA   GLY 100          HA2       GLY 100 -25.345  -5.984   2.916
  762   2HA   GLY 100          HA1       GLY 100 -25.143  -4.620   1.825
  763    H    SER 101           HN       SER 101 -24.612  -4.698   5.282
  764    HA   SER 101           HA       SER 101 -22.790  -4.297   6.580
  765   1HB   SER 101          HB2       SER 101 -21.789  -6.237   5.443
  766   2HB   SER 101          HB1       SER 101 -21.231  -5.190   4.140
  767    HG   SER 101           HG       SER 101 -20.293  -4.046   6.223
  768    H    THR 102           HN       THR 102 -22.711  -2.168   6.995
  769    HA   THR 102           HA       THR 102 -22.356  -0.176   5.026
  770    HB   THR 102           HB       THR 102 -22.125   1.409   6.882
  771    HG1  THR 102           HG1      THR 102 -22.125  -0.903   8.553
  772   1HG2  THR 102          HG21      THR 102 -24.241  -0.670   7.453
  773   2HG2  THR 102          HG22      THR 102 -24.379   0.634   6.275
  774   3HG2  THR 102          HG23      THR 102 -24.257   1.009   7.994
  775    H    THR 103           HN       THR 103 -20.169  -2.317   6.266
  776    HA   THR 103           HA       THR 103 -17.958  -0.465   5.712
  777    HB   THR 103           HB       THR 103 -16.568  -1.872   7.160
  778    HG1  THR 103           HG1      THR 103 -18.986  -3.113   7.990
  779   1HG2  THR 103          HG21      THR 103 -17.604  -1.164   9.307
  780   2HG2  THR 103          HG22      THR 103 -19.060  -0.738   8.406
  781   3HG2  THR 103          HG23      THR 103 -17.549   0.114   8.091
  782    H    SER 104           HN       SER 104 -16.094  -1.370   4.647
  783    HA   SER 104           HA       SER 104 -16.372  -3.999   3.470
  784   1HB   SER 104          HB2       SER 104 -16.176  -1.455   1.835
  785   2HB   SER 104          HB1       SER 104 -15.846  -3.061   1.187
  786    HG   SER 104           HG       SER 104 -18.016  -2.344   0.831
  787    H    ARG 105           HN       ARG 105 -14.523  -4.929   3.928
  788    HA   ARG 105           HA       ARG 105 -12.103  -3.297   4.276
  789   1HB   ARG 105          HB2       ARG 105 -12.633  -6.146   5.135
  790   2HB   ARG 105          HB1       ARG 105 -11.204  -5.197   5.524
  791   1HG   ARG 105          HG2       ARG 105 -12.600  -3.624   6.780
  792   2HG   ARG 105          HG1       ARG 105 -14.022  -4.598   6.405
  793   1HD   ARG 105          HD2       ARG 105 -13.072  -6.488   7.597
  794   2HD   ARG 105          HD1       ARG 105 -11.605  -5.568   7.925
  795    HE   ARG 105           HE       ARG 105 -13.685  -4.081   8.958
  796   1HH1  ARG 105          HH11      ARG 105 -12.336  -7.256   9.456
  797   2HH1  ARG 105          HH12      ARG 105 -12.787  -7.326  11.126
  798   1HH2  ARG 105          HH21      ARG 105 -14.281  -4.165  11.157
  799   2HH2  ARG 105          HH22      ARG 105 -13.893  -5.570  12.093
  800    H    CYS 106           HN       CYS 106 -10.108  -3.905   3.393
  801    HA   CYS 106           HA       CYS 106 -10.354  -5.421   0.894
  802   1HB   CYS 106          HB2       CYS 106  -8.823  -3.043   1.723
  803   2HB   CYS 106          HB1       CYS 106  -7.934  -4.185   0.719
  804    H    GLU 107           HN       GLU 107  -9.532  -7.378   0.818
  805    HA   GLU 107           HA       GLU 107  -7.191  -8.023   2.480
  806   1HB   GLU 107          HB2       GLU 107  -9.558  -8.958   3.154
  807   2HB   GLU 107          HB1       GLU 107  -9.263 -10.091   1.842
  808   1HG   GLU 107          HG2       GLU 107  -8.567 -11.160   3.819
  809   2HG   GLU 107          HG1       GLU 107  -7.097 -10.674   2.974
  810    H    VAL 108           HN       VAL 108  -6.711 -10.540   1.575
  811    HA   VAL 108           HA       VAL 108  -6.524 -10.298  -1.354
  812    HB   VAL 108           HB       VAL 108  -4.226 -11.158   0.384
  813   1HG1  VAL 108          HG11      VAL 108  -4.423 -10.803  -2.618
  814   2HG1  VAL 108          HG12      VAL 108  -4.321 -12.346  -1.768
  815   3HG1  VAL 108          HG13      VAL 108  -2.961 -11.224  -1.722
  816   1HG2  VAL 108          HG21      VAL 108  -4.516  -8.787   0.557
  817   2HG2  VAL 108          HG22      VAL 108  -4.718  -8.637  -1.189
  818   3HG2  VAL 108          HG23      VAL 108  -3.152  -9.095  -0.518
  819    H    GLN 109           HN       GLN 109  -6.988 -11.995  -2.481
  820    HA   GLN 109           HA       GLN 109  -6.379 -14.679  -1.842
  821   1HB   GLN 109          HB2       GLN 109  -8.719 -15.468  -1.441
  822   2HB   GLN 109          HB1       GLN 109  -8.066 -14.483  -0.136
  823   1HG   GLN 109          HG2       GLN 109  -9.271 -12.549  -0.963
  824   2HG   GLN 109          HG1       GLN 109  -9.889 -13.495  -2.315
  825   1HE2  GLN 109          HE21      GLN 109 -12.027 -13.129  -1.722
  826   2HE2  GLN 109          HE22      GLN 109 -12.750 -13.900  -0.356
  827    H    ASP 110           HN       ASP 110  -6.182 -13.016  -4.112
  828    HA   ASP 110           HA       ASP 110  -7.369 -14.719  -6.052
  829   1HB   ASP 110          HB2       ASP 110  -9.301 -13.275  -5.543
  830   2HB   ASP 110          HB1       ASP 110  -8.341 -11.861  -5.968
  831    H    ARG 111           HN       ARG 111  -7.026 -11.488  -7.096
  832    HA   ARG 111           HA       ARG 111  -4.565 -12.213  -8.434
  833   1HB   ARG 111          HB2       ARG 111  -4.969 -10.166  -9.797
  834   2HB   ARG 111          HB1       ARG 111  -6.272 -11.344  -9.886
  835   1HG   ARG 111          HG2       ARG 111  -7.518 -10.021  -8.202
  836   2HG   ARG 111          HG1       ARG 111  -6.241  -8.805  -8.272
  837   1HD   ARG 111          HD2       ARG 111  -8.098  -8.159  -9.693
  838   2HD   ARG 111          HD1       ARG 111  -6.671  -8.504 -10.668
  839    HE   ARG 111           HE       ARG 111  -8.352 -10.789 -10.408
  840   1HH1  ARG 111          HH11      ARG 111  -7.975  -7.777 -12.118
  841   2HH1  ARG 111          HH12      ARG 111  -8.867  -8.305 -13.505
  842   1HH2  ARG 111          HH21      ARG 111  -9.528 -11.492 -12.230
  843   2HH2  ARG 111          HH22      ARG 111  -9.751 -10.416 -13.569
  844    H    GLY 112           HN       GLY 112  -4.104 -11.910  -5.836
  845   1HA   GLY 112          HA2       GLY 112  -2.240 -10.908  -4.772
  846   2HA   GLY 112          HA1       GLY 112  -2.409  -9.519  -5.841
  847    H    VAL 113           HN       VAL 113  -5.445 -10.102  -5.057
  848    HA   VAL 113           HA       VAL 113  -5.670  -9.343  -2.376
  849    HB   VAL 113           HB       VAL 113  -5.054  -7.187  -2.575
  850   1HG1  VAL 113          HG11      VAL 113  -5.006  -5.915  -4.639
  851   2HG1  VAL 113          HG12      VAL 113  -5.945  -7.165  -5.457
  852   3HG1  VAL 113          HG13      VAL 113  -4.309  -7.517  -4.897
  853   1HG2  VAL 113          HG21      VAL 113  -7.809  -6.946  -3.766
  854   2HG2  VAL 113          HG22      VAL 113  -6.893  -5.653  -2.991
  855   3HG2  VAL 113          HG23      VAL 113  -7.424  -7.046  -2.048
  856    H    GLY 114           HN       GLY 114  -7.760  -9.525  -1.640
  857   1HA   GLY 114          HA2       GLY 114  -9.772 -10.012  -3.734
  858   2HA   GLY 114          HA1       GLY 114  -9.677 -10.945  -2.248
  859    H    TRP 115           HN       TRP 115 -11.885  -9.273  -3.368
  860    HA   TRP 115           HA       TRP 115 -12.090  -7.130  -1.420
  861   1HB   TRP 115          HB2       TRP 115 -13.095  -7.515  -4.028
  862   2HB   TRP 115          HB1       TRP 115 -14.492  -7.502  -2.964
  863    HD1  TRP 115           HD1      TRP 115 -13.102  -5.182  -5.103
  864    HE1  TRP 115           HE1      TRP 115 -13.146  -2.760  -4.224
  865    HE3  TRP 115           HE3      TRP 115 -13.837  -6.116  -0.127
  866    HZ2  TRP 115           HZ2      TRP 115 -13.447  -1.427  -1.773
  867    HZ3  TRP 115           HZ3      TRP 115 -13.988  -4.206   1.415
  868    HH2  TRP 115           HH2      TRP 115 -13.797  -1.911   0.609
  869    H    SER 116           HN       SER 116 -13.093  -7.362   0.476
  870    HA   SER 116           HA       SER 116 -14.249  -9.809   1.283
  871   1HB   SER 116          HB2       SER 116 -14.450  -7.069   2.559
  872   2HB   SER 116          HB1       SER 116 -14.893  -8.588   3.337
  873    HG   SER 116           HG       SER 116 -12.837  -8.216   3.970
  874    H    HIS 117           HN       HIS 117 -15.640  -6.737   0.234
  875    HA   HIS 117           HA       HIS 117 -18.004  -7.950  -0.735
  876   1HB   HIS 117          HB2       HIS 117 -18.508  -8.047   1.700
  877   2HB   HIS 117          HB1       HIS 117 -18.357  -6.294   1.773
  878    HD1  HIS 117           HD1      HIS 117 -20.270  -4.892   0.745
  879    HD2  HIS 117           HD2      HIS 117 -20.880  -8.998   0.555
  880    HE1  HIS 117           HE1      HIS 117 -22.687  -5.185   0.113
  881    HE2  HIS 117           HE2      HIS 117 -23.055  -7.676   0.095
  882    HA   PRO 118           HA       PRO 118 -17.845  -3.930  -2.649
  883   1HB   PRO 118          HB2       PRO 118 -19.380  -4.481  -4.746
  884   2HB   PRO 118          HB1       PRO 118 -17.831  -5.305  -4.532
  885   1HG   PRO 118          HG2       PRO 118 -20.592  -6.316  -4.112
  886   2HG   PRO 118          HG1       PRO 118 -19.137  -7.195  -4.614
  887   1HD   PRO 118          HD2       PRO 118 -20.247  -7.012  -1.991
  888   2HD   PRO 118          HD1       PRO 118 -18.735  -7.811  -2.470
  889    H    LEU 119           HN       LEU 119 -20.403  -3.535  -4.266
  890    HA   LEU 119           HA       LEU 119 -21.681  -1.694  -2.643
  891   1HB   LEU 119          HB2       LEU 119 -22.255  -3.075  -5.196
  892   2HB   LEU 119          HB1       LEU 119 -23.590  -2.264  -4.414
  893    HG   LEU 119           HG       LEU 119 -21.903  -1.099  -6.178
  894   1HD1  LEU 119          HD11      LEU 119 -23.361   0.213  -3.896
  895   2HD1  LEU 119          HD12      LEU 119 -24.037  -0.216  -5.468
  896   3HD1  LEU 119          HD13      LEU 119 -22.797   1.034  -5.351
  897   1HD2  LEU 119          HD21      LEU 119 -20.006  -1.257  -4.637
  898   2HD2  LEU 119          HD22      LEU 119 -20.902  -0.297  -3.458
  899   3HD2  LEU 119          HD23      LEU 119 -20.436   0.416  -5.003
  900    HA   PRO 120           HA       PRO 120 -24.451  -4.263  -0.285
  901   1HB   PRO 120          HB2       PRO 120 -25.718  -2.332   1.046
  902   2HB   PRO 120          HB1       PRO 120 -23.996  -2.632   1.310
  903   1HG   PRO 120          HG2       PRO 120 -25.333  -0.467  -0.243
  904   2HG   PRO 120          HG1       PRO 120 -23.855  -0.404   0.733
  905   1HD   PRO 120          HD2       PRO 120 -23.995  -0.668  -2.061
  906   2HD   PRO 120          HD1       PRO 120 -22.563  -0.933  -1.047
  907    H    GLN 121           HN       GLN 121 -27.001  -2.787   0.410
  908    HA   GLN 121           HA       GLN 121 -28.425  -2.965  -2.153
  909   1HB   GLN 121          HB2       GLN 121 -28.593  -5.106  -0.780
  910   2HB   GLN 121          HB1       GLN 121 -29.504  -4.169   0.393
  911   1HG   GLN 121          HG2       GLN 121 -31.177  -3.654  -1.308
  912   2HG   GLN 121          HG1       GLN 121 -30.269  -4.603  -2.485
  913   1HE2  GLN 121          HE21      GLN 121 -32.314  -4.698   0.316
  914   2HE2  GLN 121          HE22      GLN 121 -32.650  -6.392   0.267
  915    H    CYS 122           HN       CYS 122 -29.367  -1.022  -2.461
  916    HA   CYS 122           HA       CYS 122 -30.228   0.471  -0.102
  917   1HB   CYS 122          HB2       CYS 122 -29.103   1.207  -2.699
  918   2HB   CYS 122          HB1       CYS 122 -30.499   2.178  -2.239
  919    H    GLU 123           HN       GLU 123 -32.280   0.074   0.425
  920    HA   GLU 123           HA       GLU 123 -34.305   0.112  -1.718
  921   1HB   GLU 123          HB2       GLU 123 -34.332  -1.598   0.777
  922   2HB   GLU 123          HB1       GLU 123 -35.599  -1.523  -0.438
  923   1HG   GLU 123          HG2       GLU 123 -32.803  -2.554  -0.833
  924   2HG   GLU 123          HG1       GLU 123 -34.275  -3.516  -0.720
  925    H    ILE 124           HN       ILE 124 -36.187   1.135  -1.271
  926    HA   ILE 124           HA       ILE 124 -35.996   3.313   0.562
  927    HB   ILE 124           HB       ILE 124 -37.169   3.471  -1.616
  928   1HG1  ILE 124          HG12      ILE 124 -38.951   4.015   0.769
  929   2HG1  ILE 124          HG11      ILE 124 -37.643   5.060   0.228
  930   1HG2  ILE 124          HG21      ILE 124 -39.433   2.539  -1.822
  931   2HG2  ILE 124          HG22      ILE 124 -39.221   1.715  -0.277
  932   3HG2  ILE 124          HG23      ILE 124 -38.207   1.283  -1.654
  933   1HD1  ILE 124          HD11      ILE 124 -39.775   5.916  -0.507
  934   2HD1  ILE 124          HD12      ILE 124 -40.138   4.389  -1.312
  935   3HD1  ILE 124          HD13      ILE 124 -38.816   5.402  -1.895
  936    H    LEU 125           HN       LEU 125 -37.459   3.783   2.296
  937    HA   LEU 125           HA       LEU 125 -38.017   1.465   3.918
  938   1HB   LEU 125          HB2       LEU 125 -38.543   4.387   4.471
  939   2HB   LEU 125          HB1       LEU 125 -38.625   3.088   5.645
  940    HG   LEU 125           HG       LEU 125 -36.093   3.839   4.183
  941   1HD1  LEU 125          HD11      LEU 125 -37.133   4.750   6.858
  942   2HD1  LEU 125          HD12      LEU 125 -36.726   5.752   5.465
  943   3HD1  LEU 125          HD13      LEU 125 -35.453   4.908   6.346
  944   1HD2  LEU 125          HD21      LEU 125 -34.990   2.542   5.895
  945   2HD2  LEU 125          HD22      LEU 125 -36.216   1.550   5.100
  946   3HD2  LEU 125          HD23      LEU 125 -36.532   2.232   6.696
  947    H    GLU 126           HN       GLU 126 -39.645   2.550   1.415
  948    HA   GLU 126           HA       GLU 126 -42.236   1.854   2.590
  949   1HB   GLU 126          HB2       GLU 126 -41.753   4.231   0.788
  950   2HB   GLU 126          HB1       GLU 126 -43.338   3.639   1.265
  951   1HG   GLU 126          HG2       GLU 126 -42.827   4.117   3.598
  952   2HG   GLU 126          HG1       GLU 126 -41.224   4.687   3.134
  953    H    HIS 127           HN       HIS 127 -41.675   3.106  -0.650
  954    HA   HIS 127           HA       HIS 127 -41.662   0.458  -1.831
  955   1HB   HIS 127          HB2       HIS 127 -44.052   0.820  -1.495
  956   2HB   HIS 127          HB1       HIS 127 -43.950   2.381  -2.303
  957    HD1  HIS 127           HD1      HIS 127 -44.122   2.403  -4.817
  958    HD2  HIS 127           HD2      HIS 127 -43.739  -1.431  -3.258
  959    HE1  HIS 127           HE1      HIS 127 -44.539   0.846  -6.748
  960    HE2  HIS 127           HE2      HIS 127 -44.315  -1.469  -5.780
  961    H    HIS 128           HN       HIS 128 -41.000   0.441  -3.999
  962    HA   HIS 128           HA       HIS 128 -40.458   2.981  -5.311
  963   1HB   HIS 128          HB2       HIS 128 -38.443   2.604  -3.977
  964   2HB   HIS 128          HB1       HIS 128 -38.270   0.993  -4.667
  965    HD1  HIS 128           HD1      HIS 128 -36.694   0.858  -6.559
  966    HD2  HIS 128           HD2      HIS 128 -38.288   4.673  -6.151
  967    HE1  HIS 128           HE1      HIS 128 -35.546   2.256  -8.304
  968    HE2  HIS 128           HE2      HIS 128 -36.507   4.568  -8.023
  969    H    HIS 129           HN       HIS 129 -40.517   2.857  -7.498
  970    HA   HIS 129           HA       HIS 129 -41.295   0.291  -8.640
  971   1HB   HIS 129          HB2       HIS 129 -42.663   2.289  -9.109
  972   2HB   HIS 129          HB1       HIS 129 -41.274   3.054  -9.875
  973    HD1  HIS 129           HD1      HIS 129 -40.878   2.546 -12.299
  974    HD2  HIS 129           HD2      HIS 129 -43.686   0.015 -10.574
  975    HE1  HIS 129           HE1      HIS 129 -41.863   1.235 -14.206
  976    HE2  HIS 129           HE2      HIS 129 -43.509  -0.339 -13.130
  977    H    HIS 130           HN       HIS 130 -40.183  -0.786 -10.212
  978    HA   HIS 130           HA       HIS 130 -37.373  -0.218 -10.441
  979   1HB   HIS 130          HB2       HIS 130 -38.304  -2.529 -10.252
  980   2HB   HIS 130          HB1       HIS 130 -38.998  -2.339 -11.858
  981    HD1  HIS 130           HD1      HIS 130 -35.891  -3.221 -10.109
  982    HD2  HIS 130           HD2      HIS 130 -37.041  -2.184 -13.966
  983    HE1  HIS 130           HE1      HIS 130 -33.970  -3.892 -11.586
  984    HE2  HIS 130           HE2      HIS 130 -34.653  -3.179 -13.905
  985    H    HIS 131           HN       HIS 131 -36.295   0.666 -12.119
  986    HA   HIS 131           HA       HIS 131 -37.906   1.629 -14.379
  987   1HB   HIS 131          HB2       HIS 131 -35.233   2.577 -13.326
  988   2HB   HIS 131          HB1       HIS 131 -36.045   3.241 -14.740
  989    HD1  HIS 131           HD1      HIS 131 -36.040   3.337 -11.039
  990    HD2  HIS 131           HD2      HIS 131 -38.366   4.780 -14.165
  991    HE1  HIS 131           HE1      HIS 131 -37.542   5.075 -10.014
  992    HE2  HIS 131           HE2      HIS 131 -38.903   5.973 -11.935
  993    H    HIS 132           HN       HIS 132 -37.468   1.044 -16.434
  994    HA   HIS 132           HA       HIS 132 -35.299  -0.901 -16.828
  995   1HB   HIS 132          HB2       HIS 132 -37.557  -1.728 -17.325
  996   2HB   HIS 132          HB1       HIS 132 -37.789  -0.419 -18.479
  997    HD1  HIS 132           HD1      HIS 132 -37.278  -0.993 -20.828
  998    HD2  HIS 132           HD2      HIS 132 -35.285  -3.477 -18.159
  999    HE1  HIS 132           HE1      HIS 132 -36.096  -2.696 -22.250
 1000    HE2  HIS 132           HE2      HIS 132 -34.966  -4.239 -20.610
  Start of MODEL   20
    1   1H    MET   0           HT1      MET   0  33.258  -3.827  -3.794
    2   2H    MET   0           HT2      MET   0  34.911  -3.734  -3.447
    3   3H    MET   0           HT3      MET   0  34.048  -2.331  -3.832
    4    HA   MET   0           HA       MET   0  33.590  -4.019  -1.443
    5   1HB   MET   0          HB2       MET   0  34.945  -1.329  -1.732
    6   2HB   MET   0          HB1       MET   0  34.539  -2.088  -0.199
    7   1HG   MET   0          HG2       MET   0  36.043  -3.916  -0.658
    8   2HG   MET   0          HG1       MET   0  36.387  -3.266  -2.259
    9   1HE   MET   0          HE1       MET   0  39.776  -2.689  -0.417
   10   2HE   MET   0          HE2       MET   0  38.955  -3.453  -1.778
   11   3HE   MET   0          HE3       MET   0  38.687  -4.048  -0.139
   12    H    ASN   1           HN       ASN   1  33.119  -0.692  -2.657
   13    HA   ASN   1           HA       ASN   1  30.685  -0.401  -1.151
   14   1HB   ASN   1          HB2       ASN   1  32.299   1.340  -2.953
   15   2HB   ASN   1          HB1       ASN   1  30.607   1.758  -2.687
   16   1HD2  ASN   1          HD21      ASN   1  30.606   0.634  -0.003
   17   2HD2  ASN   1          HD22      ASN   1  31.446   1.767   0.992
   18    H    CYS   2           HN       CYS   2  28.750   0.585  -2.349
   19    HA   CYS   2           HA       CYS   2  28.111  -1.227  -4.570
   20   1HB   CYS   2          HB2       CYS   2  26.186   0.275  -2.795
   21   2HB   CYS   2          HB1       CYS   2  25.804  -1.005  -3.935
   22    H    GLY   3           HN       GLY   3  26.522  -0.345  -6.184
   23   1HA   GLY   3          HA2       GLY   3  27.402   2.254  -7.085
   24   2HA   GLY   3          HA1       GLY   3  26.264   1.191  -7.908
   25    HA   PRO   4           HA       PRO   4  24.398   5.089  -5.520
   26   1HB   PRO   4          HB2       PRO   4  23.459   5.264  -8.371
   27   2HB   PRO   4          HB1       PRO   4  23.691   6.562  -7.190
   28   1HG   PRO   4          HG2       PRO   4  25.552   6.113  -9.025
   29   2HG   PRO   4          HG1       PRO   4  26.021   6.461  -7.352
   30   1HD   PRO   4          HD2       PRO   4  26.080   3.881  -8.833
   31   2HD   PRO   4          HD1       PRO   4  27.125   4.454  -7.517
   32    HA   PRO   5           HA       PRO   5  21.138   2.203  -4.488
   33   1HB   PRO   5          HB2       PRO   5  19.866   4.860  -3.926
   34   2HB   PRO   5          HB1       PRO   5  19.823   3.373  -2.970
   35   1HG   PRO   5          HG2       PRO   5  21.481   5.357  -2.326
   36   2HG   PRO   5          HG1       PRO   5  21.985   3.665  -2.181
   37   1HD   PRO   5          HD2       PRO   5  22.810   5.716  -4.146
   38   2HD   PRO   5          HD1       PRO   5  23.677   4.272  -3.590
   39    HA   PRO   6           HA       PRO   6  18.520   2.433  -8.077
   40   1HB   PRO   6          HB2       PRO   6  16.938   0.274  -7.058
   41   2HB   PRO   6          HB1       PRO   6  18.229   0.193  -8.256
   42   1HG   PRO   6          HG2       PRO   6  18.342  -0.916  -5.727
   43   2HG   PRO   6          HG1       PRO   6  19.750  -0.527  -6.729
   44   1HD   PRO   6          HD2       PRO   6  18.564   0.992  -4.450
   45   2HD   PRO   6          HD1       PRO   6  20.269   0.782  -4.906
   46    H    THR   7           HN       THR   7  16.125   2.128  -8.490
   47    HA   THR   7           HA       THR   7  14.639   3.919  -6.698
   48    HB   THR   7           HB       THR   7  13.981   3.086  -9.536
   49    HG1  THR   7           HG1      THR   7  14.636   5.715  -9.026
   50   1HG2  THR   7          HG21      THR   7  12.773   5.193  -7.738
   51   2HG2  THR   7          HG22      THR   7  11.995   3.704  -8.278
   52   3HG2  THR   7          HG23      THR   7  12.385   4.968  -9.444
   53    H    LEU   8           HN       LEU   8  12.920   3.146  -5.541
   54    HA   LEU   8           HA       LEU   8  12.037   0.415  -6.190
   55   1HB   LEU   8          HB2       LEU   8  12.057   1.742  -3.482
   56   2HB   LEU   8          HB1       LEU   8  11.582   0.090  -3.825
   57    HG   LEU   8           HG       LEU   8  14.358   1.247  -4.099
   58   1HD1  LEU   8          HD11      LEU   8  13.172  -0.749  -2.179
   59   2HD1  LEU   8          HD12      LEU   8  13.762   0.869  -1.798
   60   3HD1  LEU   8          HD13      LEU   8  14.892  -0.381  -2.318
   61   1HD2  LEU   8          HD21      LEU   8  13.394  -1.560  -4.623
   62   2HD2  LEU   8          HD22      LEU   8  15.068  -1.005  -4.676
   63   3HD2  LEU   8          HD23      LEU   8  13.899  -0.397  -5.849
   64    H    SER   9           HN       SER   9   9.890   0.132  -4.656
   65    HA   SER   9           HA       SER   9   8.038   2.270  -5.483
   66   1HB   SER   9          HB2       SER   9   7.528  -0.715  -5.542
   67   2HB   SER   9          HB1       SER   9   6.337   0.529  -5.918
   68    HG   SER   9           HG       SER   9   7.193  -0.112  -7.844
   69    H    PHE  10           HN       PHE  10   8.145  -0.643  -3.425
   70    HA   PHE  10           HA       PHE  10   6.193   0.170  -1.616
   71   1HB   PHE  10          HB2       PHE  10   7.556  -1.370   0.002
   72   2HB   PHE  10          HB1       PHE  10   6.743  -2.067  -1.393
   73    HD1  PHE  10           HD1      PHE  10   7.952  -3.219  -3.041
   74    HD2  PHE  10           HD2      PHE  10  10.020  -0.885  -0.145
   75    HE1  PHE  10           HE1      PHE  10  10.088  -4.174  -3.802
   76    HE2  PHE  10           HE2      PHE  10  12.159  -1.834  -0.900
   77    HZ   PHE  10           HZ       PHE  10  12.197  -3.481  -2.731
   78    H    ALA  11           HN       ALA  11   9.394   1.312  -2.050
   79    HA   ALA  11           HA       ALA  11   8.999   3.192   0.140
   80   1HB   ALA  11          HB1       ALA  11  11.275   2.730   1.040
   81   2HB   ALA  11          HB2       ALA  11  11.331   1.295   0.016
   82   3HB   ALA  11          HB3       ALA  11  10.114   1.426   1.286
   83    H    ALA  12           HN       ALA  12  10.273   5.011   0.072
   84    HA   ALA  12           HA       ALA  12  12.054   5.358  -2.243
   85   1HB   ALA  12          HB1       ALA  12  10.008   7.382  -1.336
   86   2HB   ALA  12          HB2       ALA  12   9.823   6.318  -2.730
   87   3HB   ALA  12          HB3       ALA  12  11.105   7.528  -2.709
   88    HA   PRO  13           HA       PRO  13  15.212   7.042   0.353
   89   1HB   PRO  13          HB2       PRO  13  14.831   9.529  -1.280
   90   2HB   PRO  13          HB1       PRO  13  16.330   8.734  -0.785
   91   1HG   PRO  13          HG2       PRO  13  15.362   8.411  -3.251
   92   2HG   PRO  13          HG1       PRO  13  16.128   7.067  -2.385
   93   1HD   PRO  13          HD2       PRO  13  13.270   7.516  -3.020
   94   2HD   PRO  13          HD1       PRO  13  14.137   5.997  -2.720
   95    H    MET  14           HN       MET  14  15.358   8.238   2.230
   96    HA   MET  14           HA       MET  14  13.472  10.382   2.738
   97   1HB   MET  14          HB2       MET  14  12.261   8.264   3.299
   98   2HB   MET  14          HB1       MET  14  13.489   7.942   4.516
   99   1HG   MET  14          HG2       MET  14  11.562   8.871   5.578
  100   2HG   MET  14          HG1       MET  14  12.873  10.048   5.642
  101   1HE   MET  14          HE1       MET  14   9.546  12.171   5.325
  102   2HE   MET  14          HE2       MET  14  11.029  11.980   6.259
  103   3HE   MET  14          HE3       MET  14   9.839  10.680   6.221
  104    H    ASP  15           HN       ASP  15  16.347   8.682   3.399
  105    HA   ASP  15           HA       ASP  15  17.097  10.709   5.401
  106   1HB   ASP  15          HB2       ASP  15  16.844   8.563   6.518
  107   2HB   ASP  15          HB1       ASP  15  17.897   7.793   5.336
  108    H    ILE  16           HN       ILE  16  17.784   9.155   2.475
  109    HA   ILE  16           HA       ILE  16  20.569   9.994   2.428
  110    HB   ILE  16           HB       ILE  16  20.314   7.836   1.533
  111   1HG1  ILE  16          HG12      ILE  16  20.362   9.738  -0.824
  112   2HG1  ILE  16          HG11      ILE  16  21.752   9.310   0.168
  113   1HG2  ILE  16          HG21      ILE  16  18.019   8.945  -0.077
  114   2HG2  ILE  16          HG22      ILE  16  17.927   7.805   1.269
  115   3HG2  ILE  16          HG23      ILE  16  18.678   7.315  -0.252
  116   1HD1  ILE  16          HD11      ILE  16  21.719   8.102  -1.951
  117   2HD1  ILE  16          HD12      ILE  16  20.163   7.393  -1.517
  118   3HD1  ILE  16          HD13      ILE  16  21.601   7.011  -0.571
  119    H    THR  17           HN       THR  17  17.584  10.531   0.718
  120    HA   THR  17           HA       THR  17  16.776  12.299  -0.453
  121    HB   THR  17           HB       THR  17  19.308  13.793   0.208
  122    HG1  THR  17           HG1      THR  17  17.934  14.604   2.011
  123   1HG2  THR  17          HG21      THR  17  16.499  14.676  -0.468
  124   2HG2  THR  17          HG22      THR  17  17.953  14.913  -1.437
  125   3HG2  THR  17          HG23      THR  17  17.768  15.762   0.097
  126    H    LEU  18           HN       LEU  18  18.690  10.257  -1.363
  127    HA   LEU  18           HA       LEU  18  20.050   9.703  -3.108
  128   1HB   LEU  18          HB2       LEU  18  17.607   9.975  -3.880
  129   2HB   LEU  18          HB1       LEU  18  18.176  11.422  -4.678
  130    HG   LEU  18           HG       LEU  18  18.104   9.584  -6.258
  131   1HD1  LEU  18          HD11      LEU  18  20.278   9.768  -7.156
  132   2HD1  LEU  18          HD12      LEU  18  20.989  10.042  -5.564
  133   3HD1  LEU  18          HD13      LEU  18  19.975  11.281  -6.300
  134   1HD2  LEU  18          HD21      LEU  18  19.255   7.540  -5.968
  135   2HD2  LEU  18          HD22      LEU  18  18.394   7.825  -4.455
  136   3HD2  LEU  18          HD23      LEU  18  20.126   8.142  -4.558
  137    H    THR  19           HN       THR  19  21.901  10.855  -2.474
  138    HA   THR  19           HA       THR  19  22.747  12.831  -4.382
  139    HB   THR  19           HB       THR  19  21.934  14.493  -3.019
  140    HG1  THR  19           HG1      THR  19  23.857  14.987  -1.503
  141   1HG2  THR  19          HG21      THR  19  21.134  12.867  -1.311
  142   2HG2  THR  19          HG22      THR  19  21.741  14.381  -0.635
  143   3HG2  THR  19          HG23      THR  19  22.737  12.926  -0.577
  144    H    GLU  20           HN       GLU  20  23.258  10.533  -1.940
  145    HA   GLU  20           HA       GLU  20  26.128  10.880  -1.782
  146   1HB   GLU  20          HB2       GLU  20  24.800  10.164   0.180
  147   2HB   GLU  20          HB1       GLU  20  24.353   8.694  -0.676
  148   1HG   GLU  20          HG2       GLU  20  26.134   8.279   0.915
  149   2HG   GLU  20          HG1       GLU  20  26.682   8.002  -0.737
  150    H    THR  21           HN       THR  21  27.503  10.035  -3.196
  151    HA   THR  21           HA       THR  21  26.610   8.316  -5.294
  152    HB   THR  21           HB       THR  21  29.019   8.290  -5.969
  153    HG1  THR  21           HG1      THR  21  29.565   8.835  -3.581
  154   1HG2  THR  21          HG21      THR  21  27.489   9.962  -6.864
  155   2HG2  THR  21          HG22      THR  21  29.082  10.670  -6.601
  156   3HG2  THR  21          HG23      THR  21  27.775  10.996  -5.463
  157    H    ARG  22           HN       ARG  22  28.848   7.858  -2.547
  158    HA   ARG  22           HA       ARG  22  28.534   4.960  -2.943
  159   1HB   ARG  22          HB2       ARG  22  31.057   6.212  -1.909
  160   2HB   ARG  22          HB1       ARG  22  30.787   4.548  -2.405
  161   1HG   ARG  22          HG2       ARG  22  30.493   5.303  -4.724
  162   2HG   ARG  22          HG1       ARG  22  30.833   6.957  -4.209
  163   1HD   ARG  22          HD2       ARG  22  32.823   5.922  -5.155
  164   2HD   ARG  22          HD1       ARG  22  33.048   6.260  -3.439
  165    HE   ARG  22           HE       ARG  22  32.126   3.650  -3.645
  166   1HH1  ARG  22          HH11      ARG  22  34.915   5.502  -4.613
  167   2HH1  ARG  22          HH12      ARG  22  35.996   4.150  -4.543
  168   1HH2  ARG  22          HH21      ARG  22  33.543   1.866  -3.549
  169   2HH2  ARG  22          HH22      ARG  22  35.216   2.084  -3.938
  170    H    PHE  23           HN       PHE  23  28.828   3.689  -1.002
  171    HA   PHE  23           HA       PHE  23  28.477   5.147   1.532
  172   1HB   PHE  23          HB2       PHE  23  26.916   2.680   0.733
  173   2HB   PHE  23          HB1       PHE  23  26.704   3.644   2.192
  174    HD1  PHE  23           HD1      PHE  23  26.597   3.952  -1.511
  175    HD2  PHE  23           HD2      PHE  23  25.057   5.278   2.226
  176    HE1  PHE  23           HE1      PHE  23  24.960   5.341  -2.691
  177    HE2  PHE  23           HE2      PHE  23  23.403   6.670   1.050
  178    HZ   PHE  23           HZ       PHE  23  23.353   6.704  -1.413
  179    H    LYS  24           HN       LYS  24  27.962   1.982   2.195
  180    HA   LYS  24           HA       LYS  24  30.522   0.847   1.899
  181   1HB   LYS  24          HB2       LYS  24  30.846   0.746   4.516
  182   2HB   LYS  24          HB1       LYS  24  31.462   2.098   3.580
  183   1HG   LYS  24          HG2       LYS  24  29.440   3.386   4.161
  184   2HG   LYS  24          HG1       LYS  24  28.892   2.031   5.149
  185   1HD   LYS  24          HD2       LYS  24  30.853   2.246   6.570
  186   2HD   LYS  24          HD1       LYS  24  31.460   3.559   5.560
  187   1HE   LYS  24          HE2       LYS  24  30.409   4.446   7.561
  188   2HE   LYS  24          HE1       LYS  24  29.486   4.897   6.128
  189   1HZ   LYS  24          HZ1       LYS  24  28.051   4.169   7.934
  190   2HZ   LYS  24          HZ2       LYS  24  28.820   2.663   7.966
  191   3HZ   LYS  24          HZ3       LYS  24  27.926   3.126   6.608
  192    H    THR  25           HN       THR  25  30.723  -1.252   3.011
  193    HA   THR  25           HA       THR  25  28.375  -2.756   2.708
  194    HB   THR  25           HB       THR  25  29.848  -4.381   4.242
  195    HG1  THR  25           HG1      THR  25  31.562  -2.378   3.257
  196   1HG2  THR  25          HG21      THR  25  30.421  -3.846   1.325
  197   2HG2  THR  25          HG22      THR  25  29.060  -4.792   1.924
  198   3HG2  THR  25          HG23      THR  25  30.709  -5.359   2.185
  199    H    GLY  26           HN       GLY  26  29.298  -0.748   5.203
  200   1HA   GLY  26          HA2       GLY  26  27.661  -2.221   7.165
  201   2HA   GLY  26          HA1       GLY  26  28.879  -1.020   7.576
  202    H    THR  27           HN       THR  27  27.588   0.331   5.024
  203    HA   THR  27           HA       THR  27  26.151   2.318   6.413
  204    HB   THR  27           HB       THR  27  27.242   2.437   4.068
  205    HG1  THR  27           HG1      THR  27  25.088   3.828   3.563
  206   1HG2  THR  27          HG21      THR  27  24.460   1.725   3.165
  207   2HG2  THR  27          HG22      THR  27  25.755   0.527   3.234
  208   3HG2  THR  27          HG23      THR  27  25.916   1.936   2.187
  209    H    THR  28           HN       THR  28  23.840   2.932   5.886
  210    HA   THR  28           HA       THR  28  22.037   0.856   5.107
  211    HB   THR  28           HB       THR  28  21.955   1.705   8.011
  212    HG1  THR  28           HG1      THR  28  22.290  -0.748   8.131
  213   1HG2  THR  28          HG21      THR  28  20.135   0.145   8.241
  214   2HG2  THR  28          HG22      THR  28  20.303  -0.362   6.560
  215   3HG2  THR  28          HG23      THR  28  19.750   1.270   6.938
  216    H    LEU  29           HN       LEU  29  20.387   1.796   4.129
  217    HA   LEU  29           HA       LEU  29  19.998   4.646   4.379
  218   1HB   LEU  29          HB2       LEU  29  18.582   2.567   2.711
  219   2HB   LEU  29          HB1       LEU  29  18.217   4.277   2.654
  220    HG   LEU  29           HG       LEU  29  19.582   3.755   0.772
  221   1HD1  LEU  29          HD11      LEU  29  20.064   5.875   1.941
  222   2HD1  LEU  29          HD12      LEU  29  21.453   5.232   1.066
  223   3HD1  LEU  29          HD13      LEU  29  21.359   5.064   2.821
  224   1HD2  LEU  29          HD21      LEU  29  20.514   1.658   1.665
  225   2HD2  LEU  29          HD22      LEU  29  21.613   2.602   2.669
  226   3HD2  LEU  29          HD23      LEU  29  21.731   2.688   0.912
  227    H    LYS  30           HN       LYS  30  17.278   4.923   3.979
  228    HA   LYS  30           HA       LYS  30  16.076   3.764   6.405
  229   1HB   LYS  30          HB2       LYS  30  16.761   6.391   6.197
  230   2HB   LYS  30          HB1       LYS  30  15.113   6.431   5.583
  231   1HG   LYS  30          HG2       LYS  30  15.982   5.349   8.259
  232   2HG   LYS  30          HG1       LYS  30  15.177   6.892   7.968
  233   1HD   LYS  30          HD2       LYS  30  14.014   4.179   7.342
  234   2HD   LYS  30          HD1       LYS  30  13.626   5.149   8.765
  235   1HE   LYS  30          HE2       LYS  30  12.855   6.959   7.238
  236   2HE   LYS  30          HE1       LYS  30  13.103   5.856   5.883
  237   1HZ   LYS  30          HZ1       LYS  30  10.791   5.908   6.641
  238   2HZ   LYS  30          HZ2       LYS  30  11.271   5.353   8.165
  239   3HZ   LYS  30          HZ3       LYS  30  11.471   4.367   6.805
  240    H    TYR  31           HN       TYR  31  15.037   5.817   3.697
  241    HA   TYR  31           HA       TYR  31  13.391   5.617   2.156
  242   1HB   TYR  31          HB2       TYR  31  13.933   2.726   2.759
  243   2HB   TYR  31          HB1       TYR  31  12.639   3.185   1.655
  244    HD1  TYR  31           HD1      TYR  31  13.113   3.791  -0.577
  245    HD2  TYR  31           HD2      TYR  31  16.291   3.434   2.229
  246    HE1  TYR  31           HE1      TYR  31  14.743   3.969  -2.409
  247    HE2  TYR  31           HE2      TYR  31  17.929   3.614   0.405
  248    HH   TYR  31           HH       TYR  31  17.106   4.625  -2.716
  249    H    THR  32           HN       THR  32  11.318   6.095   2.251
  250    HA   THR  32           HA       THR  32   9.784   5.238   4.602
  251    HB   THR  32           HB       THR  32   9.648   7.539   4.624
  252    HG1  THR  32           HG1      THR  32   7.541   7.883   3.157
  253   1HG2  THR  32          HG21      THR  32   9.490   7.501   1.608
  254   2HG2  THR  32          HG22      THR  32  10.889   7.962   2.581
  255   3HG2  THR  32          HG23      THR  32   9.428   8.950   2.613
  256    H    CYS  33           HN       CYS  33   8.352   3.676   4.314
  257    HA   CYS  33           HA       CYS  33   7.709   2.675   1.739
  258   1HB   CYS  33          HB2       CYS  33   6.587   2.017   4.463
  259   2HB   CYS  33          HB1       CYS  33   6.192   1.134   2.991
  260    H    LEU  34           HN       LEU  34   6.433   3.473   0.413
  261    HA   LEU  34           HA       LEU  34   4.704   5.541   0.502
  262   1HB   LEU  34          HB2       LEU  34   4.442   3.032  -1.140
  263   2HB   LEU  34          HB1       LEU  34   3.485   4.472  -1.418
  264    HG   LEU  34           HG       LEU  34   6.451   4.108  -1.791
  265   1HD1  LEU  34          HD11      LEU  34   4.939   3.444  -3.616
  266   2HD1  LEU  34          HD12      LEU  34   5.975   4.801  -4.055
  267   3HD1  LEU  34          HD13      LEU  34   4.283   5.080  -3.644
  268   1HD2  LEU  34          HD21      LEU  34   5.002   6.732  -2.033
  269   2HD2  LEU  34          HD22      LEU  34   6.736   6.429  -2.140
  270   3HD2  LEU  34          HD23      LEU  34   5.905   6.263  -0.594
  271    HA   PRO  35           HA       PRO  35   0.948   4.865   2.647
  272   1HB   PRO  35          HB2       PRO  35  -0.556   5.274   0.120
  273   2HB   PRO  35          HB1       PRO  35  -0.713   6.100   1.674
  274   1HG   PRO  35          HG2       PRO  35   0.477   7.297  -0.380
  275   2HG   PRO  35          HG1       PRO  35   1.106   7.484   1.268
  276   1HD   PRO  35          HD2       PRO  35   2.126   5.791  -0.974
  277   2HD   PRO  35          HD1       PRO  35   3.029   6.711   0.247
  278    H    GLY  36           HN       GLY  36  -0.098   3.694  -0.517
  279   1HA   GLY  36          HA2       GLY  36  -1.573   1.540   0.597
  280   2HA   GLY  36          HA1       GLY  36  -1.283   1.822  -1.110
  281    H    TYR  37           HN       TYR  37   1.563   1.620   0.767
  282    HA   TYR  37           HA       TYR  37   2.629  -0.532  -0.515
  283   1HB   TYR  37          HB2       TYR  37   4.301  -0.648   1.169
  284   2HB   TYR  37          HB1       TYR  37   3.814   1.041   1.078
  285    HD1  TYR  37           HD1      TYR  37   4.332  -1.726   3.213
  286    HD2  TYR  37           HD2      TYR  37   2.022   1.816   2.766
  287    HE1  TYR  37           HE1      TYR  37   3.859  -1.743   5.632
  288    HE2  TYR  37           HE2      TYR  37   1.544   1.815   5.188
  289    HH   TYR  37           HH       TYR  37   1.476   0.211   7.052
  290    H    VAL  38           HN       VAL  38   0.901  -0.647   2.613
  291    HA   VAL  38           HA       VAL  38  -0.171  -2.295   3.713
  292    HB   VAL  38           HB       VAL  38  -1.626  -3.676   2.574
  293   1HG1  VAL  38          HG11      VAL  38  -0.958  -1.360   0.791
  294   2HG1  VAL  38          HG12      VAL  38  -2.259  -1.500   1.973
  295   3HG1  VAL  38          HG13      VAL  38  -2.323  -2.431   0.475
  296   1HG2  VAL  38          HG21      VAL  38  -1.303  -4.681   0.450
  297   2HG2  VAL  38          HG22      VAL  38   0.173  -4.925   1.384
  298   3HG2  VAL  38          HG23      VAL  38   0.117  -3.689   0.128
  299    H    ARG  39           HN       ARG  39  -0.033  -4.462   4.505
  300    HA   ARG  39           HA       ARG  39   1.241  -6.134   5.385
  301   1HB   ARG  39          HB2       ARG  39   1.751  -6.553   2.448
  302   2HB   ARG  39          HB1       ARG  39   2.103  -7.733   3.703
  303   1HG   ARG  39          HG2       ARG  39  -0.300  -7.751   4.297
  304   2HG   ARG  39          HG1       ARG  39  -0.606  -6.670   2.935
  305   1HD   ARG  39          HD2       ARG  39   0.335  -8.353   1.411
  306   2HD   ARG  39          HD1       ARG  39   0.583  -9.436   2.780
  307    HE   ARG  39           HE       ARG  39  -2.132  -8.562   2.527
  308   1HH1  ARG  39          HH11      ARG  39   0.224 -10.865   1.394
  309   2HH1  ARG  39          HH12      ARG  39  -0.959 -12.047   0.942
  310   1HH2  ARG  39          HH21      ARG  39  -3.695 -10.112   1.937
  311   2HH2  ARG  39          HH22      ARG  39  -3.186 -11.619   1.251
  312    H    SER  40           HN       SER  40   3.515  -7.397   4.701
  313    HA   SER  40           HA       SER  40   5.726  -7.290   5.263
  314   1HB   SER  40          HB2       SER  40   5.581  -5.327   2.971
  315   2HB   SER  40          HB1       SER  40   7.056  -6.105   3.545
  316    HG   SER  40           HG       SER  40   6.477  -7.915   2.614
  317    H    HIS  41           HN       HIS  41   5.869  -6.444   7.301
  318    HA   HIS  41           HA       HIS  41   6.617  -3.594   7.441
  319   1HB   HIS  41          HB2       HIS  41   5.240  -5.112   9.656
  320   2HB   HIS  41          HB1       HIS  41   5.561  -3.383   9.582
  321    HD1  HIS  41           HD1      HIS  41   3.198  -5.996   8.375
  322    HD2  HIS  41           HD2      HIS  41   3.769  -1.898   8.008
  323    HE1  HIS  41           HE1      HIS  41   1.071  -5.108   7.369
  324    HE2  HIS  41           HE2      HIS  41   1.401  -2.614   7.256
  325    H    SER  42           HN       SER  42   7.747  -6.614   7.584
  326    HA   SER  42           HA       SER  42   9.142  -6.940   9.937
  327   1HB   SER  42          HB2       SER  42   9.961  -7.722   7.135
  328   2HB   SER  42          HB1       SER  42  10.730  -8.324   8.603
  329    HG   SER  42           HG       SER  42   9.179  -9.795   7.970
  330    H    THR  43           HN       THR  43   9.798  -4.777   7.322
  331    HA   THR  43           HA       THR  43  11.383  -3.178   6.965
  332    HB   THR  43           HB       THR  43  11.641  -3.465   9.948
  333    HG1  THR  43           HG1      THR  43  10.353  -1.602   9.940
  334   1HG2  THR  43          HG21      THR  43  13.723  -2.535   8.980
  335   2HG2  THR  43          HG22      THR  43  12.852  -1.361   9.967
  336   3HG2  THR  43          HG23      THR  43  12.768  -1.269   8.209
  337    H    GLN  44           HN       GLN  44  13.501  -3.116   6.263
  338    HA   GLN  44           HA       GLN  44  15.451  -4.888   7.482
  339   1HB   GLN  44          HB2       GLN  44  14.243  -6.283   5.813
  340   2HB   GLN  44          HB1       GLN  44  14.773  -5.174   4.555
  341   1HG   GLN  44          HG2       GLN  44  16.146  -7.205   4.682
  342   2HG   GLN  44          HG1       GLN  44  17.076  -5.734   4.963
  343   1HE2  GLN  44          HE21      GLN  44  15.731  -8.597   6.414
  344   2HE2  GLN  44          HE22      GLN  44  16.656  -8.537   7.872
  345    H    THR  45           HN       THR  45  14.665  -2.201   5.457
  346    HA   THR  45           HA       THR  45  15.880  -0.480   4.616
  347    HB   THR  45           HB       THR  45  17.873   0.248   5.821
  348    HG1  THR  45           HG1      THR  45  17.921  -1.598   7.782
  349   1HG2  THR  45          HG21      THR  45  16.892   0.450   8.074
  350   2HG2  THR  45          HG22      THR  45  15.695  -0.773   7.647
  351   3HG2  THR  45          HG23      THR  45  15.714   0.776   6.802
  352    H    LEU  46           HN       LEU  46  18.336   0.057   3.895
  353    HA   LEU  46           HA       LEU  46  19.112  -2.236   2.213
  354   1HB   LEU  46          HB2       LEU  46  18.874   0.674   1.598
  355   2HB   LEU  46          HB1       LEU  46  20.068  -0.281   0.739
  356    HG   LEU  46           HG       LEU  46  17.161  -1.062   0.844
  357   1HD1  LEU  46          HD11      LEU  46  16.997  -0.072  -1.422
  358   2HD1  LEU  46          HD12      LEU  46  18.574   0.677  -1.167
  359   3HD1  LEU  46          HD13      LEU  46  17.208   1.121  -0.140
  360   1HD2  LEU  46          HD21      LEU  46  18.674  -2.833   0.231
  361   2HD2  LEU  46          HD22      LEU  46  19.452  -1.798  -0.967
  362   3HD2  LEU  46          HD23      LEU  46  17.777  -2.305  -1.193
  363    H    THR  47           HN       THR  47  21.059  -3.012   2.514
  364    HA   THR  47           HA       THR  47  23.169  -1.281   3.639
  365    HB   THR  47           HB       THR  47  22.885  -4.233   4.243
  366    HG1  THR  47           HG1      THR  47  21.826  -1.967   5.551
  367   1HG2  THR  47          HG21      THR  47  24.556  -2.046   5.488
  368   2HG2  THR  47          HG22      THR  47  25.142  -3.362   4.472
  369   3HG2  THR  47          HG23      THR  47  24.465  -3.710   6.063
  370    H    CYS  48           HN       CYS  48  25.377  -1.950   3.035
  371    HA   CYS  48           HA       CYS  48  25.385  -3.043   0.353
  372   1HB   CYS  48          HB2       CYS  48  27.246  -1.438   2.006
  373   2HB   CYS  48          HB1       CYS  48  27.991  -2.531   0.853
  374    H    ASN  49           HN       ASN  49  25.633  -5.115   0.042
  375    HA   ASN  49           HA       ASN  49  26.861  -6.764   2.114
  376   1HB   ASN  49          HB2       ASN  49  26.026  -8.639   0.552
  377   2HB   ASN  49          HB1       ASN  49  24.810  -7.689   1.402
  378   1HD2  ASN  49          HD21      ASN  49  23.731  -6.017   0.244
  379   2HD2  ASN  49          HD22      ASN  49  23.545  -6.128  -1.470
  380    H    SER  50           HN       SER  50  28.165  -8.711   1.042
  381    HA   SER  50           HA       SER  50  30.291  -7.430  -0.485
  382   1HB   SER  50          HB2       SER  50  30.942  -8.799   1.437
  383   2HB   SER  50          HB1       SER  50  30.124 -10.201   0.744
  384    HG   SER  50           HG       SER  50  32.449 -10.086   0.389
  385    H    ASP  51           HN       ASP  51  28.496  -7.319  -2.191
  386    HA   ASP  51           HA       ASP  51  28.946  -9.407  -4.197
  387   1HB   ASP  51          HB2       ASP  51  26.178  -8.504  -3.412
  388   2HB   ASP  51          HB1       ASP  51  26.598  -9.685  -4.651
  389    H    GLY  52           HN       GLY  52  28.984  -6.299  -3.329
  390   1HA   GLY  52          HA2       GLY  52  29.047  -4.323  -4.473
  391   2HA   GLY  52          HA1       GLY  52  29.154  -5.285  -5.939
  392    H    GLU  53           HN       GLU  53  26.482  -5.894  -3.996
  393    HA   GLU  53           HA       GLU  53  24.770  -4.009  -5.480
  394   1HB   GLU  53          HB2       GLU  53  23.180  -5.676  -5.992
  395   2HB   GLU  53          HB1       GLU  53  24.737  -6.387  -6.392
  396   1HG   GLU  53          HG2       GLU  53  24.694  -7.500  -4.144
  397   2HG   GLU  53          HG1       GLU  53  23.032  -6.937  -3.981
  398    H    TRP  54           HN       TRP  54  22.481  -3.987  -4.492
  399    HA   TRP  54           HA       TRP  54  22.768  -3.711  -1.610
  400   1HB   TRP  54          HB2       TRP  54  20.710  -2.695  -3.583
  401   2HB   TRP  54          HB1       TRP  54  20.600  -2.456  -1.848
  402    HD1  TRP  54           HD1      TRP  54  22.095  -0.958  -4.919
  403    HE1  TRP  54           HE1      TRP  54  23.568   1.055  -4.285
  404    HE3  TRP  54           HE3      TRP  54  22.298  -1.671   0.122
  405    HZ2  TRP  54           HZ2      TRP  54  24.682   2.196  -1.943
  406    HZ3  TRP  54           HZ3      TRP  54  23.581  -0.078   1.499
  407    HH2  TRP  54           HH2      TRP  54  24.747   1.813   0.485
  408    H    VAL  55           HN       VAL  55  22.105  -5.286  -0.385
  409    HA   VAL  55           HA       VAL  55  20.179  -7.280  -1.385
  410    HB   VAL  55           HB       VAL  55  22.501  -7.377   0.480
  411   1HG1  VAL  55          HG11      VAL  55  20.093  -9.148   0.842
  412   2HG1  VAL  55          HG12      VAL  55  20.644  -7.904   1.964
  413   3HG1  VAL  55          HG13      VAL  55  21.647  -9.322   1.660
  414   1HG2  VAL  55          HG21      VAL  55  21.285  -9.448  -1.340
  415   2HG2  VAL  55          HG22      VAL  55  22.857  -9.535  -0.541
  416   3HG2  VAL  55          HG23      VAL  55  22.570  -8.329  -1.795
  417    H    TYR  56           HN       TYR  56  18.376  -7.822  -0.094
  418    HA   TYR  56           HA       TYR  56  17.960  -6.821   2.469
  419   1HB   TYR  56          HB2       TYR  56  16.364  -4.971   2.026
  420   2HB   TYR  56          HB1       TYR  56  17.981  -4.617   1.424
  421    HD1  TYR  56           HD1      TYR  56  14.515  -4.866   0.585
  422    HD2  TYR  56           HD2      TYR  56  18.431  -5.016  -1.068
  423    HE1  TYR  56           HE1      TYR  56  13.580  -4.442  -1.650
  424    HE2  TYR  56           HE2      TYR  56  17.516  -4.585  -3.307
  425    HH   TYR  56           HH       TYR  56  15.378  -4.843  -4.501
  426    H    ASN  57           HN       ASN  57  15.492  -6.668   3.009
  427    HA   ASN  57           HA       ASN  57  14.135  -8.862   1.594
  428   1HB   ASN  57          HB2       ASN  57  14.815  -9.102   4.079
  429   2HB   ASN  57          HB1       ASN  57  13.495  -7.983   4.403
  430   1HD2  ASN  57          HD21      ASN  57  12.348  -9.521   5.558
  431   2HD2  ASN  57          HD22      ASN  57  11.542 -10.841   4.787
  432    H    THR  58           HN       THR  58  11.585  -8.533   2.573
  433    HA   THR  58           HA       THR  58  10.797  -6.102   1.170
  434    HB   THR  58           HB       THR  58   8.980  -8.300   2.155
  435    HG1  THR  58           HG1      THR  58   9.555  -8.253  -0.527
  436   1HG2  THR  58          HG21      THR  58   8.671  -6.204   0.005
  437   2HG2  THR  58          HG22      THR  58   7.886  -6.190   1.584
  438   3HG2  THR  58          HG23      THR  58   7.486  -7.446   0.412
  439    H    PHE  59           HN       PHE  59  10.973  -4.424   2.584
  440    HA   PHE  59           HA       PHE  59   9.906  -4.640   5.274
  441   1HB   PHE  59          HB2       PHE  59  10.496  -2.026   5.082
  442   2HB   PHE  59          HB1       PHE  59  11.698  -3.253   5.455
  443    HD1  PHE  59           HD1      PHE  59  10.627  -0.740   3.111
  444    HD2  PHE  59           HD2      PHE  59  13.205  -4.081   3.655
  445    HE1  PHE  59           HE1      PHE  59  11.966  -0.017   1.179
  446    HE2  PHE  59           HE2      PHE  59  14.548  -3.365   1.723
  447    HZ   PHE  59           HZ       PHE  59  13.930  -1.330   0.482
  448    H    CYS  60           HN       CYS  60   8.600  -4.205   2.319
  449    HA   CYS  60           HA       CYS  60   6.034  -3.600   3.148
  450   1HB   CYS  60          HB2       CYS  60   5.927  -1.242   2.022
  451   2HB   CYS  60          HB1       CYS  60   6.449  -1.387   3.697
  452    H    ILE  61           HN       ILE  61   4.582  -3.021   1.224
  453    HA   ILE  61           HA       ILE  61   5.828  -3.699  -1.325
  454    HB   ILE  61           HB       ILE  61   3.912  -5.286  -1.820
  455   1HG1  ILE  61          HG12      ILE  61   3.668  -5.137   1.190
  456   2HG1  ILE  61          HG11      ILE  61   2.428  -4.739   0.005
  457   1HG2  ILE  61          HG21      ILE  61   6.215  -6.011  -1.446
  458   2HG2  ILE  61          HG22      ILE  61   5.056  -7.178  -0.808
  459   3HG2  ILE  61          HG23      ILE  61   5.907  -6.090   0.290
  460   1HD1  ILE  61          HD11      ILE  61   3.565  -7.469   0.552
  461   2HD1  ILE  61          HD12      ILE  61   2.377  -7.091  -0.696
  462   3HD1  ILE  61          HD13      ILE  61   1.966  -6.878   1.006
  463    H    TYR  62           HN       TYR  62   2.692  -4.217  -1.896
  464    HA   TYR  62           HA       TYR  62   1.236  -1.866  -1.837
  465   1HB   TYR  62          HB2       TYR  62   3.508  -1.308  -3.255
  466   2HB   TYR  62          HB1       TYR  62   2.343  -1.702  -4.525
  467    HD1  TYR  62           HD1      TYR  62  -0.123  -0.643  -3.866
  468    HD2  TYR  62           HD2      TYR  62   3.681   0.910  -2.767
  469    HE1  TYR  62           HE1      TYR  62  -1.136   1.571  -3.525
  470    HE2  TYR  62           HE2      TYR  62   2.687   3.128  -2.432
  471    HH   TYR  62           HH       TYR  62   0.023   3.842  -1.792
  472    H    LYS  63           HN       LYS  63  -0.623  -2.550  -2.152
  473    HA   LYS  63           HA       LYS  63  -1.465  -3.826  -4.578
  474   1HB   LYS  63          HB2       LYS  63  -2.241  -5.880  -3.702
  475   2HB   LYS  63          HB1       LYS  63  -0.595  -5.726  -3.107
  476   1HG   LYS  63          HG2       LYS  63  -1.596  -4.802  -0.980
  477   2HG   LYS  63          HG1       LYS  63  -3.159  -5.333  -1.599
  478   1HD   LYS  63          HD2       LYS  63  -2.484  -7.123  -0.284
  479   2HD   LYS  63          HD1       LYS  63  -2.001  -7.619  -1.902
  480   1HE   LYS  63          HE2       LYS  63   0.244  -6.436  -1.240
  481   2HE   LYS  63          HE1       LYS  63  -0.327  -6.773   0.395
  482   1HZ   LYS  63          HZ1       LYS  63  -0.489  -9.103  -0.157
  483   2HZ   LYS  63          HZ2       LYS  63   1.079  -8.551  -0.465
  484   3HZ   LYS  63          HZ3       LYS  63   0.007  -8.802  -1.747
  485    H    ARG  64           HN       ARG  64  -3.557  -3.268  -4.978
  486    HA   ARG  64           HA       ARG  64  -5.104  -2.151  -2.745
  487   1HB   ARG  64          HB2       ARG  64  -6.010  -0.524  -4.526
  488   2HB   ARG  64          HB1       ARG  64  -4.420  -0.220  -3.842
  489   1HG   ARG  64          HG2       ARG  64  -4.066  -1.871  -6.109
  490   2HG   ARG  64          HG1       ARG  64  -5.148  -0.550  -6.561
  491   1HD   ARG  64          HD2       ARG  64  -2.470  -0.237  -5.205
  492   2HD   ARG  64          HD1       ARG  64  -2.780   0.015  -6.924
  493    HE   ARG  64           HE       ARG  64  -4.529   1.625  -5.428
  494   1HH1  ARG  64          HH11      ARG  64  -1.149   1.356  -6.230
  495   2HH1  ARG  64          HH12      ARG  64  -0.842   3.052  -6.058
  496   1HH2  ARG  64          HH21      ARG  64  -4.134   3.858  -5.199
  497   2HH2  ARG  64          HH22      ARG  64  -2.538   4.474  -5.470
  498    H    CYS  65           HN       CYS  65  -7.465  -1.658  -3.758
  499    HA   CYS  65           HA       CYS  65  -8.321  -4.169  -5.030
  500   1HB   CYS  65          HB2       CYS  65 -10.527  -3.083  -3.709
  501   2HB   CYS  65          HB1       CYS  65  -9.593  -4.484  -3.206
  502    H    ARG  66           HN       ARG  66 -10.064  -4.023  -6.515
  503    HA   ARG  66           HA       ARG  66  -9.983  -1.699  -8.107
  504   1HB   ARG  66          HB2       ARG  66 -10.564  -4.008  -8.938
  505   2HB   ARG  66          HB1       ARG  66 -12.123  -3.838  -8.158
  506   1HG   ARG  66          HG2       ARG  66 -11.483  -1.612  -9.913
  507   2HG   ARG  66          HG1       ARG  66 -11.530  -3.170 -10.744
  508   1HD   ARG  66          HD2       ARG  66 -13.724  -3.607  -9.753
  509   2HD   ARG  66          HD1       ARG  66 -13.686  -2.019  -8.990
  510    HE   ARG  66           HE       ARG  66 -13.324  -1.861 -11.816
  511   1HH1  ARG  66          HH11      ARG  66 -15.721  -2.207  -9.311
  512   2HH1  ARG  66          HH12      ARG  66 -17.000  -1.528 -10.263
  513   1HH2  ARG  66          HH21      ARG  66 -15.000  -0.965 -13.076
  514   2HH2  ARG  66          HH22      ARG  66 -16.590  -0.822 -12.402
  515    H    HIS  67           HN       HIS  67 -11.370   0.016  -8.286
  516    HA   HIS  67           HA       HIS  67 -12.688   0.891  -5.975
  517   1HB   HIS  67          HB2       HIS  67 -11.856   2.378  -7.785
  518   2HB   HIS  67          HB1       HIS  67 -13.149   1.797  -8.828
  519    HD1  HIS  67           HD1      HIS  67 -14.372   3.994  -9.072
  520    HD2  HIS  67           HD2      HIS  67 -13.795   2.887  -5.111
  521    HE1  HIS  67           HE1      HIS  67 -15.749   5.604  -7.717
  522    HE2  HIS  67           HE2      HIS  67 -15.447   4.865  -5.328
  523    HA   PRO  68           HA       PRO  68 -16.367  -1.693  -6.129
  524   1HB   PRO  68          HB2       PRO  68 -17.887   0.009  -4.543
  525   2HB   PRO  68          HB1       PRO  68 -16.854  -1.288  -3.943
  526   1HG   PRO  68          HG2       PRO  68 -16.278   1.636  -4.171
  527   2HG   PRO  68          HG1       PRO  68 -15.849   0.505  -2.873
  528   1HD   PRO  68          HD2       PRO  68 -14.023   1.280  -4.661
  529   2HD   PRO  68          HD1       PRO  68 -14.074  -0.407  -4.104
  530    H    GLY  69           HN       GLY  69 -16.230   1.724  -6.869
  531   1HA   GLY  69          HA2       GLY  69 -17.116   2.525  -8.942
  532   2HA   GLY  69          HA1       GLY  69 -18.330   1.259  -8.870
  533    H    GLU  70           HN       GLU  70 -19.760   2.984  -9.387
  534    HA   GLU  70           HA       GLU  70 -20.268   5.032  -7.400
  535   1HB   GLU  70          HB2       GLU  70 -20.513   5.566  -9.801
  536   2HB   GLU  70          HB1       GLU  70 -21.772   4.347  -9.934
  537   1HG   GLU  70          HG2       GLU  70 -22.770   6.524  -9.804
  538   2HG   GLU  70          HG1       GLU  70 -23.142   5.618  -8.337
  539    H    LEU  71           HN       LEU  71 -21.808   5.098  -5.939
  540    HA   LEU  71           HA       LEU  71 -23.375   2.659  -5.500
  541   1HB   LEU  71          HB2       LEU  71 -21.925   4.063  -3.744
  542   2HB   LEU  71          HB1       LEU  71 -23.416   4.969  -3.607
  543    HG   LEU  71           HG       LEU  71 -23.086   2.016  -3.054
  544   1HD1  LEU  71          HD11      LEU  71 -23.370   2.575  -0.750
  545   2HD1  LEU  71          HD12      LEU  71 -23.671   4.267  -1.145
  546   3HD1  LEU  71          HD13      LEU  71 -22.069   3.573  -1.399
  547   1HD2  LEU  71          HD21      LEU  71 -25.497   3.809  -2.980
  548   2HD2  LEU  71          HD22      LEU  71 -25.409   2.296  -2.076
  549   3HD2  LEU  71          HD23      LEU  71 -25.294   2.281  -3.838
  550    H    ARG  72           HN       ARG  72 -25.147   2.828  -6.874
  551    HA   ARG  72           HA       ARG  72 -26.512   5.267  -7.345
  552   1HB   ARG  72          HB2       ARG  72 -26.821   3.410  -8.906
  553   2HB   ARG  72          HB1       ARG  72 -27.463   2.395  -7.618
  554   1HG   ARG  72          HG2       ARG  72 -29.417   3.812  -7.433
  555   2HG   ARG  72          HG1       ARG  72 -28.772   4.895  -8.671
  556   1HD   ARG  72          HD2       ARG  72 -30.432   3.391  -9.621
  557   2HD   ARG  72          HD1       ARG  72 -28.835   3.071 -10.299
  558    HE   ARG  72           HE       ARG  72 -29.297   1.388  -8.080
  559   1HH1  ARG  72          HH11      ARG  72 -30.267   1.849 -11.394
  560   2HH1  ARG  72          HH12      ARG  72 -30.638   0.177 -11.653
  561   1HH2  ARG  72          HH21      ARG  72 -29.781  -0.814  -8.411
  562   2HH2  ARG  72          HH22      ARG  72 -30.362  -1.337  -9.957
  563    H    ASN  73           HN       ASN  73 -27.768   6.398  -6.217
  564    HA   ASN  73           HA       ASN  73 -28.943   7.180  -4.433
  565   1HB   ASN  73          HB2       ASN  73 -29.825   4.280  -4.210
  566   2HB   ASN  73          HB1       ASN  73 -30.577   5.635  -3.374
  567   1HD2  ASN  73          HD21      ASN  73 -30.260   7.423  -5.653
  568   2HD2  ASN  73          HD22      ASN  73 -31.456   6.946  -6.804
  569    H    GLY  74           HN       GLY  74 -26.342   6.871  -4.013
  570   1HA   GLY  74          HA2       GLY  74 -26.122   6.512  -1.250
  571   2HA   GLY  74          HA1       GLY  74 -25.509   5.072  -2.040
  572    H    GLN  75           HN       GLN  75 -23.680   6.165  -0.614
  573    HA   GLN  75           HA       GLN  75 -21.966   7.569  -2.530
  574   1HB   GLN  75          HB2       GLN  75 -22.310   8.391   0.357
  575   2HB   GLN  75          HB1       GLN  75 -21.114   9.053  -0.749
  576   1HG   GLN  75          HG2       GLN  75 -22.922   9.891  -2.180
  577   2HG   GLN  75          HG1       GLN  75 -24.104   9.259  -1.034
  578   1HE2  GLN  75          HE21      GLN  75 -24.354  10.261   0.963
  579   2HE2  GLN  75          HE22      GLN  75 -23.752  11.850   1.274
  580    H    VAL  76           HN       VAL  76 -19.861   7.004  -2.508
  581    HA   VAL  76           HA       VAL  76 -19.143   4.787  -0.699
  582    HB   VAL  76           HB       VAL  76 -17.862   5.464  -3.349
  583   1HG1  VAL  76          HG11      VAL  76 -16.715   3.358  -3.117
  584   2HG1  VAL  76          HG12      VAL  76 -17.586   3.001  -1.626
  585   3HG1  VAL  76          HG13      VAL  76 -16.419   4.322  -1.669
  586   1HG2  VAL  76          HG21      VAL  76 -18.996   3.341  -4.092
  587   2HG2  VAL  76          HG22      VAL  76 -20.066   4.716  -3.821
  588   3HG2  VAL  76          HG23      VAL  76 -19.960   3.431  -2.618
  589    H    GLU  77           HN       GLU  77 -17.936   5.504   0.990
  590    HA   GLU  77           HA       GLU  77 -16.421   7.907   0.876
  591   1HB   GLU  77          HB2       GLU  77 -17.293   7.132   3.000
  592   2HB   GLU  77          HB1       GLU  77 -16.384   5.632   2.866
  593   1HG   GLU  77          HG2       GLU  77 -15.241   7.044   4.400
  594   2HG   GLU  77          HG1       GLU  77 -14.290   6.974   2.920
  595    H    ILE  78           HN       ILE  78 -14.819   7.956  -0.599
  596    HA   ILE  78           HA       ILE  78 -12.780   5.829  -0.454
  597    HB   ILE  78           HB       ILE  78 -13.680   7.429  -2.846
  598   1HG1  ILE  78          HG12      ILE  78 -15.047   5.466  -2.298
  599   2HG1  ILE  78          HG11      ILE  78 -14.171   5.230  -3.806
  600   1HG2  ILE  78          HG21      ILE  78 -11.927   6.391  -4.131
  601   2HG2  ILE  78          HG22      ILE  78 -11.368   5.501  -2.715
  602   3HG2  ILE  78          HG23      ILE  78 -11.215   7.258  -2.769
  603   1HD1  ILE  78          HD11      ILE  78 -14.138   3.206  -2.505
  604   2HD1  ILE  78          HD12      ILE  78 -13.459   4.069  -1.125
  605   3HD1  ILE  78          HD13      ILE  78 -12.511   3.879  -2.600
  606    H    LYS  79           HN       LYS  79 -10.633   6.419  -0.447
  607    HA   LYS  79           HA       LYS  79  -9.719   9.067  -0.867
  608   1HB   LYS  79          HB2       LYS  79  -9.087   9.635   1.428
  609   2HB   LYS  79          HB1       LYS  79 -10.830   9.472   1.280
  610   1HG   LYS  79          HG2       LYS  79  -9.012   7.331   2.364
  611   2HG   LYS  79          HG1       LYS  79  -9.879   8.504   3.356
  612   1HD   LYS  79          HD2       LYS  79 -12.001   7.659   2.246
  613   2HD   LYS  79          HD1       LYS  79 -11.022   6.330   1.621
  614   1HE   LYS  79          HE2       LYS  79 -10.364   5.799   3.963
  615   2HE   LYS  79          HE1       LYS  79 -11.502   7.028   4.513
  616   1HZ   LYS  79          HZ1       LYS  79 -12.138   4.537   3.035
  617   2HZ   LYS  79          HZ2       LYS  79 -13.262   5.763   3.336
  618   3HZ   LYS  79          HZ3       LYS  79 -12.566   4.921   4.627
  619    H    THR  80           HN       THR  80  -9.129   6.056   0.887
  620    HA   THR  80           HA       THR  80  -6.288   6.279   0.688
  621    HB   THR  80           HB       THR  80  -6.207   4.114   1.725
  622    HG1  THR  80           HG1      THR  80  -8.845   3.950   0.768
  623   1HG2  THR  80          HG21      THR  80  -7.880   4.516   3.634
  624   2HG2  THR  80          HG22      THR  80  -8.336   5.975   2.745
  625   3HG2  THR  80          HG23      THR  80  -6.679   5.770   3.318
  626    H    ASP  81           HN       ASP  81  -8.198   5.983  -1.814
  627    HA   ASP  81           HA       ASP  81  -7.937   5.116  -3.944
  628   1HB   ASP  81          HB2       ASP  81  -5.232   4.474  -2.802
  629   2HB   ASP  81          HB1       ASP  81  -5.653   4.241  -4.496
  630    H    LEU  82           HN       LEU  82  -8.432   3.375  -1.376
  631    HA   LEU  82           HA       LEU  82  -9.107   1.243  -0.939
  632   1HB   LEU  82          HB2       LEU  82  -8.825   1.010  -3.928
  633   2HB   LEU  82          HB1       LEU  82  -9.377  -0.316  -2.925
  634    HG   LEU  82           HG       LEU  82 -11.347   0.603  -3.763
  635   1HD1  LEU  82          HD11      LEU  82 -10.901   1.978  -1.118
  636   2HD1  LEU  82          HD12      LEU  82 -11.479   0.328  -1.350
  637   3HD1  LEU  82          HD13      LEU  82 -12.464   1.691  -1.882
  638   1HD2  LEU  82          HD21      LEU  82 -10.381   2.577  -4.785
  639   2HD2  LEU  82          HD22      LEU  82 -10.214   3.337  -3.202
  640   3HD2  LEU  82          HD23      LEU  82 -11.818   3.004  -3.855
  641    H    SER  83           HN       SER  83  -6.656   1.712  -0.190
  642    HA   SER  83           HA       SER  83  -4.812  -0.189  -1.375
  643   1HB   SER  83          HB2       SER  83  -3.249   0.633   0.385
  644   2HB   SER  83          HB1       SER  83  -3.910   1.943  -0.594
  645    HG   SER  83           HG       SER  83  -3.926   1.887   1.951
  646    H    PHE  84           HN       PHE  84  -4.554  -2.235  -0.679
  647    HA   PHE  84           HA       PHE  84  -6.221  -3.684   0.818
  648   1HB   PHE  84          HB2       PHE  84  -4.414  -4.791  -0.279
  649   2HB   PHE  84          HB1       PHE  84  -3.217  -3.949   0.700
  650    HD1  PHE  84           HD1      PHE  84  -5.846  -6.537   0.763
  651    HD2  PHE  84           HD2      PHE  84  -2.565  -4.770   2.816
  652    HE1  PHE  84           HE1      PHE  84  -5.851  -8.400   2.371
  653    HE2  PHE  84           HE2      PHE  84  -2.564  -6.629   4.425
  654    HZ   PHE  84           HZ       PHE  84  -4.208  -8.447   4.204
  655    H    GLY  85           HN       GLY  85  -6.675  -4.159   2.934
  656   1HA   GLY  85          HA2       GLY  85  -6.467  -4.089   5.248
  657   2HA   GLY  85          HA1       GLY  85  -5.015  -3.116   5.065
  658    H    SER  86           HN       SER  86  -8.035  -2.291   3.480
  659    HA   SER  86           HA       SER  86  -8.451  -0.169   5.461
  660   1HB   SER  86          HB2       SER  86  -8.993   1.423   3.638
  661   2HB   SER  86          HB1       SER  86  -7.307   0.897   3.615
  662    HG   SER  86           HG       SER  86  -9.201   0.625   1.717
  663    H    GLN  87           HN       GLN  87 -10.488   0.802   5.467
  664    HA   GLN  87           HA       GLN  87 -12.645  -0.909   4.432
  665   1HB   GLN  87          HB2       GLN  87 -12.479  -1.401   6.771
  666   2HB   GLN  87          HB1       GLN  87 -12.360   0.303   7.184
  667   1HG   GLN  87          HG2       GLN  87 -14.807  -0.893   5.921
  668   2HG   GLN  87          HG1       GLN  87 -14.560  -0.823   7.667
  669   1HE2  GLN  87          HE21      GLN  87 -13.075   1.730   7.334
  670   2HE2  GLN  87          HE22      GLN  87 -14.287   2.935   7.112
  671    H    ILE  88           HN       ILE  88 -14.296   0.147   3.438
  672    HA   ILE  88           HA       ILE  88 -14.329   3.091   3.617
  673    HB   ILE  88           HB       ILE  88 -15.109   3.118   1.238
  674   1HG1  ILE  88          HG12      ILE  88 -14.006   0.305   1.148
  675   2HG1  ILE  88          HG11      ILE  88 -15.727   0.673   1.206
  676   1HG2  ILE  88          HG21      ILE  88 -12.875   2.939   0.304
  677   2HG2  ILE  88          HG22      ILE  88 -12.347   2.001   1.702
  678   3HG2  ILE  88          HG23      ILE  88 -12.816   3.689   1.900
  679   1HD1  ILE  88          HD11      ILE  88 -14.969   0.198  -1.059
  680   2HD1  ILE  88          HD12      ILE  88 -13.834   1.546  -0.960
  681   3HD1  ILE  88          HD13      ILE  88 -15.571   1.848  -0.904
  682    H    GLU  89           HN       GLU  89 -16.055   3.493   4.843
  683    HA   GLU  89           HA       GLU  89 -18.388   1.912   4.951
  684   1HB   GLU  89          HB2       GLU  89 -18.663   4.788   5.594
  685   2HB   GLU  89          HB1       GLU  89 -19.123   3.376   6.533
  686   1HG   GLU  89          HG2       GLU  89 -16.876   3.058   7.282
  687   2HG   GLU  89          HG1       GLU  89 -16.294   4.320   6.196
  688    H    PHE  90           HN       PHE  90 -20.559   2.570   4.309
  689    HA   PHE  90           HA       PHE  90 -20.524   4.075   1.783
  690   1HB   PHE  90          HB2       PHE  90 -22.353   1.796   2.577
  691   2HB   PHE  90          HB1       PHE  90 -22.409   2.670   1.051
  692    HD1  PHE  90           HD1      PHE  90 -20.697   2.328  -0.648
  693    HD2  PHE  90           HD2      PHE  90 -20.616   0.189   3.035
  694    HE1  PHE  90           HE1      PHE  90 -19.074   0.752  -1.604
  695    HE2  PHE  90           HE2      PHE  90 -18.991  -1.390   2.080
  696    HZ   PHE  90           HZ       PHE  90 -18.217  -1.109  -0.241
  697    H    SER  91           HN       SER  91 -23.056   4.653   1.293
  698    HA   SER  91           HA       SER  91 -24.485   5.486   3.626
  699   1HB   SER  91          HB2       SER  91 -24.307   7.993   2.767
  700   2HB   SER  91          HB1       SER  91 -23.166   7.324   3.932
  701    HG   SER  91           HG       SER  91 -21.913   8.216   2.392
  702    H    CYS  92           HN       CYS  92 -26.471   5.087   3.069
  703    HA   CYS  92           HA       CYS  92 -27.302   5.368   0.298
  704   1HB   CYS  92          HB2       CYS  92 -28.701   4.278   2.743
  705   2HB   CYS  92          HB1       CYS  92 -29.501   4.459   1.185
  706    H    SER  93           HN       SER  93 -28.171   7.150  -0.486
  707    HA   SER  93           HA       SER  93 -28.456   9.524   0.866
  708   1HB   SER  93          HB2       SER  93 -29.808   8.543  -1.643
  709   2HB   SER  93          HB1       SER  93 -29.980  10.198  -1.053
  710    HG   SER  93           HG       SER  93 -28.280  10.089  -2.528
  711    H    GLU  94           HN       GLU  94 -30.498  10.833   1.011
  712    HA   GLU  94           HA       GLU  94 -32.107   9.999   3.050
  713   1HB   GLU  94          HB2       GLU  94 -32.104  12.296   2.494
  714   2HB   GLU  94          HB1       GLU  94 -32.579  11.979   0.832
  715   1HG   GLU  94          HG2       GLU  94 -34.484  12.854   1.826
  716   2HG   GLU  94          HG1       GLU  94 -34.765  11.114   1.793
  717    H    GLY  95           HN       GLY  95 -34.241   9.243   3.214
  718   1HA   GLY  95          HA2       GLY  95 -36.137   8.076   2.602
  719   2HA   GLY  95          HA1       GLY  95 -35.693   8.317   0.921
  720    H    PHE  96           HN       PHE  96 -33.028   7.077   1.254
  721    HA   PHE  96           HA       PHE  96 -33.957   4.282   1.395
  722   1HB   PHE  96          HB2       PHE  96 -31.554   5.197  -0.182
  723   2HB   PHE  96          HB1       PHE  96 -32.446   3.687  -0.327
  724    HD1  PHE  96           HD1      PHE  96 -32.126   7.074  -1.462
  725    HD2  PHE  96           HD2      PHE  96 -34.743   3.723  -1.330
  726    HE1  PHE  96           HE1      PHE  96 -33.442   8.034  -3.306
  727    HE2  PHE  96           HE2      PHE  96 -36.065   4.677  -3.175
  728    HZ   PHE  96           HZ       PHE  96 -35.413   6.836  -4.165
  729    H    PHE  97           HN       PHE  97 -33.029   3.047   2.903
  730    HA   PHE  97           HA       PHE  97 -30.781   4.174   4.385
  731   1HB   PHE  97          HB2       PHE  97 -31.285   2.476   6.088
  732   2HB   PHE  97          HB1       PHE  97 -32.692   3.460   5.711
  733    HD1  PHE  97           HD1      PHE  97 -34.476   2.510   4.226
  734    HD2  PHE  97           HD2      PHE  97 -31.330   0.146   5.850
  735    HE1  PHE  97           HE1      PHE  97 -35.807   0.480   3.830
  736    HE2  PHE  97           HE2      PHE  97 -32.658  -1.889   5.458
  737    HZ   PHE  97           HZ       PHE  97 -34.897  -1.725   4.446
  738    H    LEU  98           HN       LEU  98 -29.189   2.588   5.240
  739    HA   LEU  98           HA       LEU  98 -28.012   1.222   2.968
  740   1HB   LEU  98          HB2       LEU  98 -26.723   2.763   4.422
  741   2HB   LEU  98          HB1       LEU  98 -26.907   1.622   5.741
  742    HG   LEU  98           HG       LEU  98 -25.422   0.108   4.821
  743   1HD1  LEU  98          HD11      LEU  98 -26.616   0.007   2.632
  744   2HD1  LEU  98          HD12      LEU  98 -24.859  -0.103   2.515
  745   3HD1  LEU  98          HD13      LEU  98 -25.676   1.409   2.119
  746   1HD2  LEU  98          HD21      LEU  98 -24.501   2.795   3.828
  747   2HD2  LEU  98          HD22      LEU  98 -23.472   1.377   4.028
  748   3HD2  LEU  98          HD23      LEU  98 -24.230   2.122   5.435
  749    H    ILE  99           HN       ILE  99 -27.655  -0.900   2.771
  750    HA   ILE  99           HA       ILE  99 -27.965  -2.795   4.939
  751    HB   ILE  99           HB       ILE  99 -29.541  -3.691   2.671
  752   1HG1  ILE  99          HG12      ILE  99 -30.860  -1.543   4.288
  753   2HG1  ILE  99          HG11      ILE  99 -29.995  -1.152   2.807
  754   1HG2  ILE  99          HG21      ILE  99 -31.133  -4.278   4.472
  755   2HG2  ILE  99          HG22      ILE  99 -30.079  -3.455   5.623
  756   3HG2  ILE  99          HG23      ILE  99 -29.499  -4.876   4.753
  757   1HD1  ILE  99          HD11      ILE  99 -32.364  -2.982   3.069
  758   2HD1  ILE  99          HD12      ILE  99 -31.455  -2.711   1.582
  759   3HD1  ILE  99          HD13      ILE  99 -32.332  -1.379   2.334
  760    H    GLY 100           HN       GLY 100 -26.482  -4.265   4.649
  761   1HA   GLY 100          HA2       GLY 100 -25.642  -6.048   3.120
  762   2HA   GLY 100          HA1       GLY 100 -25.464  -4.770   1.928
  763    H    SER 101           HN       SER 101 -24.630  -5.040   5.344
  764    HA   SER 101           HA       SER 101 -22.711  -4.646   6.493
  765   1HB   SER 101          HB2       SER 101 -21.592  -5.569   3.853
  766   2HB   SER 101          HB1       SER 101 -20.543  -5.129   5.201
  767    HG   SER 101           HG       SER 101 -20.921  -7.035   5.974
  768    H    THR 102           HN       THR 102 -22.828  -2.501   6.950
  769    HA   THR 102           HA       THR 102 -22.492  -0.433   5.056
  770    HB   THR 102           HB       THR 102 -22.353   1.093   6.954
  771    HG1  THR 102           HG1      THR 102 -22.584  -0.895   8.870
  772   1HG2  THR 102          HG21      THR 102 -24.463   0.584   8.031
  773   2HG2  THR 102          HG22      THR 102 -24.348  -1.101   7.523
  774   3HG2  THR 102          HG23      THR 102 -24.562   0.170   6.319
  775    H    THR 103           HN       THR 103 -20.279  -2.570   6.208
  776    HA   THR 103           HA       THR 103 -18.092  -0.665   5.757
  777    HB   THR 103           HB       THR 103 -16.702  -2.365   7.017
  778    HG1  THR 103           HG1      THR 103 -19.223  -3.467   7.269
  779   1HG2  THR 103          HG21      THR 103 -17.303  -1.438   9.187
  780   2HG2  THR 103          HG22      THR 103 -18.858  -0.913   8.538
  781   3HG2  THR 103          HG23      THR 103 -17.362  -0.192   7.939
  782    H    SER 104           HN       SER 104 -16.210  -1.528   4.656
  783    HA   SER 104           HA       SER 104 -16.509  -4.051   3.277
  784   1HB   SER 104          HB2       SER 104 -15.958  -2.895   1.070
  785   2HB   SER 104          HB1       SER 104 -17.603  -2.668   1.665
  786    HG   SER 104           HG       SER 104 -15.865  -0.782   2.592
  787    H    ARG 105           HN       ARG 105 -14.657  -4.986   3.702
  788    HA   ARG 105           HA       ARG 105 -12.244  -3.358   4.096
  789   1HB   ARG 105          HB2       ARG 105 -12.690  -6.272   4.763
  790   2HB   ARG 105          HB1       ARG 105 -11.314  -5.285   5.240
  791   1HG   ARG 105          HG2       ARG 105 -12.839  -3.853   6.551
  792   2HG   ARG 105          HG1       ARG 105 -14.169  -4.934   6.133
  793   1HD   ARG 105          HD2       ARG 105 -11.676  -5.694   7.651
  794   2HD   ARG 105          HD1       ARG 105 -13.274  -5.438   8.349
  795    HE   ARG 105           HE       ARG 105 -13.452  -7.390   6.338
  796   1HH1  ARG 105          HH11      ARG 105 -12.145  -6.936   9.535
  797   2HH1  ARG 105          HH12      ARG 105 -12.258  -8.611   9.960
  798   1HH2  ARG 105          HH21      ARG 105 -13.605  -9.598   6.889
  799   2HH2  ARG 105          HH22      ARG 105 -13.087 -10.125   8.455
  800    H    CYS 106           HN       CYS 106 -10.255  -3.945   3.173
  801    HA   CYS 106           HA       CYS 106 -10.528  -5.176   0.531
  802   1HB   CYS 106          HB2       CYS 106  -9.566  -2.841   0.824
  803   2HB   CYS 106          HB1       CYS 106  -8.175  -3.607   1.586
  804    H    GLU 107           HN       GLU 107  -9.924  -7.209   0.322
  805    HA   GLU 107           HA       GLU 107  -7.829  -8.246   2.109
  806   1HB   GLU 107          HB2       GLU 107 -10.239  -9.062   2.430
  807   2HB   GLU 107          HB1       GLU 107 -10.030  -9.911   0.903
  808   1HG   GLU 107          HG2       GLU 107  -8.205 -11.194   1.820
  809   2HG   GLU 107          HG1       GLU 107  -8.300 -10.293   3.334
  810    H    VAL 108           HN       VAL 108  -7.014 -10.434   1.095
  811    HA   VAL 108           HA       VAL 108  -6.623 -10.064  -1.797
  812    HB   VAL 108           HB       VAL 108  -4.443 -10.402   0.237
  813   1HG1  VAL 108          HG11      VAL 108  -4.193 -10.728  -2.755
  814   2HG1  VAL 108          HG12      VAL 108  -4.089 -12.038  -1.578
  815   3HG1  VAL 108          HG13      VAL 108  -2.874 -10.760  -1.585
  816   1HG2  VAL 108          HG21      VAL 108  -4.608  -8.491  -2.070
  817   2HG2  VAL 108          HG22      VAL 108  -3.612  -8.384  -0.615
  818   3HG2  VAL 108          HG23      VAL 108  -5.356  -8.140  -0.510
  819    H    GLN 109           HN       GLN 109  -6.790 -11.748  -2.987
  820    HA   GLN 109           HA       GLN 109  -6.485 -14.431  -1.810
  821   1HB   GLN 109          HB2       GLN 109  -8.462 -13.613  -3.948
  822   2HB   GLN 109          HB1       GLN 109  -8.296 -15.215  -3.242
  823   1HG   GLN 109          HG2       GLN 109  -9.026 -14.394  -1.098
  824   2HG   GLN 109          HG1       GLN 109  -9.077 -12.744  -1.714
  825   1HE2  GLN 109          HE21      GLN 109 -11.246 -12.504  -1.228
  826   2HE2  GLN 109          HE22      GLN 109 -12.490 -13.292  -2.130
  827    H    ASP 110           HN       ASP 110  -5.370 -15.926  -2.998
  828    HA   ASP 110           HA       ASP 110  -3.915 -16.751  -4.527
  829   1HB   ASP 110          HB2       ASP 110  -5.757 -16.574  -6.088
  830   2HB   ASP 110          HB1       ASP 110  -5.404 -14.873  -6.352
  831    H    ARG 111           HN       ARG 111  -4.040 -13.637  -6.117
  832    HA   ARG 111           HA       ARG 111  -1.794 -12.519  -4.799
  833   1HB   ARG 111          HB2       ARG 111  -0.102 -12.751  -6.454
  834   2HB   ARG 111          HB1       ARG 111  -0.742 -14.361  -6.152
  835   1HG   ARG 111          HG2       ARG 111  -2.131 -14.166  -8.172
  836   2HG   ARG 111          HG1       ARG 111  -1.410 -12.587  -8.488
  837   1HD   ARG 111          HD2       ARG 111   0.795 -13.616  -8.653
  838   2HD   ARG 111          HD1       ARG 111   0.091 -15.196  -8.309
  839    HE   ARG 111           HE       ARG 111  -1.189 -14.054 -10.544
  840   1HH1  ARG 111          HH11      ARG 111   1.847 -15.479  -9.595
  841   2HH1  ARG 111          HH12      ARG 111   2.220 -16.056 -11.185
  842   1HH2  ARG 111          HH21      ARG 111  -0.706 -14.811 -12.639
  843   2HH2  ARG 111          HH22      ARG 111   0.770 -15.677 -12.916
  844    H    GLY 112           HN       GLY 112  -4.535 -12.015  -6.129
  845   1HA   GLY 112          HA2       GLY 112  -3.705  -9.501  -7.435
  846   2HA   GLY 112          HA1       GLY 112  -5.016 -10.478  -8.076
  847    H    VAL 113           HN       VAL 113  -4.606 -10.223  -4.685
  848    HA   VAL 113           HA       VAL 113  -5.945  -9.494  -3.033
  849    HB   VAL 113           HB       VAL 113  -5.381  -7.370  -2.819
  850   1HG1  VAL 113          HG11      VAL 113  -5.398  -7.035  -5.805
  851   2HG1  VAL 113          HG12      VAL 113  -4.024  -7.602  -4.848
  852   3HG1  VAL 113          HG13      VAL 113  -4.641  -5.962  -4.626
  853   1HG2  VAL 113          HG21      VAL 113  -6.855  -5.601  -3.686
  854   2HG2  VAL 113          HG22      VAL 113  -7.729  -6.921  -2.901
  855   3HG2  VAL 113          HG23      VAL 113  -7.689  -6.812  -4.663
  856    H    GLY 114           HN       GLY 114  -8.058  -9.441  -2.271
  857   1HA   GLY 114          HA2       GLY 114 -10.050  -9.674  -4.421
  858   2HA   GLY 114          HA1       GLY 114 -10.061 -10.673  -2.977
  859    H    TRP 115           HN       TRP 115 -12.068  -8.731  -4.099
  860    HA   TRP 115           HA       TRP 115 -12.172  -6.771  -1.954
  861   1HB   TRP 115          HB2       TRP 115 -13.033  -6.717  -4.641
  862   2HB   TRP 115          HB1       TRP 115 -14.489  -6.674  -3.656
  863    HD1  TRP 115           HD1      TRP 115 -12.478  -4.319  -5.320
  864    HE1  TRP 115           HE1      TRP 115 -12.369  -2.038  -4.124
  865    HE3  TRP 115           HE3      TRP 115 -14.178  -5.729  -0.710
  866    HZ2  TRP 115           HZ2      TRP 115 -12.920  -0.986  -1.577
  867    HZ3  TRP 115           HZ3      TRP 115 -14.358  -4.021   1.052
  868    HH2  TRP 115           HH2      TRP 115 -13.743  -1.697   0.625
  869    H    SER 116           HN       SER 116 -13.131  -7.305  -0.120
  870    HA   SER 116           HA       SER 116 -14.550  -9.623   0.372
  871   1HB   SER 116          HB2       SER 116 -14.767  -6.985   1.843
  872   2HB   SER 116          HB1       SER 116 -15.286  -8.551   2.466
  873    HG   SER 116           HG       SER 116 -12.912  -7.489   2.674
  874    H    HIS 117           HN       HIS 117 -15.796  -6.410  -0.480
  875    HA   HIS 117           HA       HIS 117 -18.093  -7.416  -1.758
  876   1HB   HIS 117          HB2       HIS 117 -18.741  -7.938   0.590
  877   2HB   HIS 117          HB1       HIS 117 -18.624  -6.224   0.970
  878    HD1  HIS 117           HD1      HIS 117 -20.627  -4.796   0.482
  879    HD2  HIS 117           HD2      HIS 117 -20.908  -8.580  -1.208
  880    HE1  HIS 117           HE1      HIS 117 -22.980  -4.971  -0.386
  881    HE2  HIS 117           HE2      HIS 117 -23.149  -7.298  -1.337
  882    HA   PRO 118           HA       PRO 118 -17.858  -3.131  -2.951
  883   1HB   PRO 118          HB2       PRO 118 -19.542  -3.303  -5.072
  884   2HB   PRO 118          HB1       PRO 118 -17.899  -3.942  -5.097
  885   1HG   PRO 118          HG2       PRO 118 -20.443  -5.377  -5.055
  886   2HG   PRO 118          HG1       PRO 118 -18.825  -5.978  -5.444
  887   1HD   PRO 118          HD2       PRO 118 -20.309  -6.221  -2.966
  888   2HD   PRO 118          HD1       PRO 118 -18.771  -6.982  -3.420
  889    H    LEU 119           HN       LEU 119 -20.134  -1.954  -4.295
  890    HA   LEU 119           HA       LEU 119 -21.436  -0.630  -2.323
  891   1HB   LEU 119          HB2       LEU 119 -23.049  -1.355  -4.718
  892   2HB   LEU 119          HB1       LEU 119 -22.867   0.185  -3.914
  893    HG   LEU 119           HG       LEU 119 -21.841   0.513  -5.966
  894   1HD1  LEU 119          HD11      LEU 119 -19.460   0.754  -5.507
  895   2HD1  LEU 119          HD12      LEU 119 -19.633  -0.271  -4.081
  896   3HD1  LEU 119          HD13      LEU 119 -20.444   1.295  -4.149
  897   1HD2  LEU 119          HD21      LEU 119 -20.220  -1.050  -6.961
  898   2HD2  LEU 119          HD22      LEU 119 -21.826  -1.752  -6.768
  899   3HD2  LEU 119          HD23      LEU 119 -20.537  -2.178  -5.643
  900    HA   PRO 120           HA       PRO 120 -24.101  -3.661  -0.451
  901   1HB   PRO 120          HB2       PRO 120 -25.433  -1.464   0.917
  902   2HB   PRO 120          HB1       PRO 120 -24.357  -2.694   1.582
  903   1HG   PRO 120          HG2       PRO 120 -23.661  -0.078   1.391
  904   2HG   PRO 120          HG1       PRO 120 -22.483  -1.400   1.292
  905   1HD   PRO 120          HD2       PRO 120 -23.739   0.187  -0.921
  906   2HD   PRO 120          HD1       PRO 120 -22.045  -0.313  -0.717
  907    H    GLN 121           HN       GLN 121 -26.690  -2.100   0.422
  908    HA   GLN 121           HA       GLN 121 -28.043  -2.038  -2.177
  909   1HB   GLN 121          HB2       GLN 121 -28.208  -4.293  -0.775
  910   2HB   GLN 121          HB1       GLN 121 -29.448  -3.388   0.078
  911   1HG   GLN 121          HG2       GLN 121 -29.414  -3.804  -2.899
  912   2HG   GLN 121          HG1       GLN 121 -30.304  -4.814  -1.761
  913   1HE2  GLN 121          HE21      GLN 121 -32.108  -3.981  -0.720
  914   2HE2  GLN 121          HE22      GLN 121 -32.906  -2.548  -1.264
  915    H    CYS 122           HN       CYS 122 -28.954  -0.076  -2.314
  916    HA   CYS 122           HA       CYS 122 -29.872   1.193   0.168
  917   1HB   CYS 122          HB2       CYS 122 -29.281   2.330  -2.568
  918   2HB   CYS 122          HB1       CYS 122 -30.016   3.264  -1.269
  919    H    GLU 123           HN       GLU 123 -31.958   0.854   0.655
  920    HA   GLU 123           HA       GLU 123 -33.935   0.961  -1.521
  921   1HB   GLU 123          HB2       GLU 123 -33.560  -1.387  -0.794
  922   2HB   GLU 123          HB1       GLU 123 -33.985  -0.921   0.846
  923   1HG   GLU 123          HG2       GLU 123 -35.863  -1.982  -0.210
  924   2HG   GLU 123          HG1       GLU 123 -36.223  -0.278   0.064
  925    H    ILE 124           HN       ILE 124 -35.877   1.909  -1.031
  926    HA   ILE 124           HA       ILE 124 -35.792   4.026   0.819
  927    HB   ILE 124           HB       ILE 124 -37.181   4.004  -1.233
  928   1HG1  ILE 124          HG12      ILE 124 -37.615   5.429   0.917
  929   2HG1  ILE 124          HG11      ILE 124 -38.804   5.424  -0.380
  930   1HG2  ILE 124          HG21      ILE 124 -38.856   2.047   0.323
  931   2HG2  ILE 124          HG22      ILE 124 -38.028   1.772  -1.209
  932   3HG2  ILE 124          HG23      ILE 124 -39.398   2.880  -1.134
  933   1HD1  ILE 124          HD11      ILE 124 -40.157   3.822   0.852
  934   2HD1  ILE 124          HD12      ILE 124 -39.855   5.275   1.806
  935   3HD1  ILE 124          HD13      ILE 124 -38.957   3.795   2.145
  936    H    LEU 125           HN       LEU 125 -36.739   4.320   2.812
  937    HA   LEU 125           HA       LEU 125 -36.778   2.229   4.615
  938   1HB   LEU 125          HB2       LEU 125 -38.129   4.918   4.706
  939   2HB   LEU 125          HB1       LEU 125 -38.121   3.816   6.069
  940    HG   LEU 125           HG       LEU 125 -35.613   4.890   4.778
  941   1HD1  LEU 125          HD11      LEU 125 -36.962   5.846   7.298
  942   2HD1  LEU 125          HD12      LEU 125 -37.009   6.692   5.752
  943   3HD1  LEU 125          HD13      LEU 125 -35.472   6.468   6.588
  944   1HD2  LEU 125          HD21      LEU 125 -35.527   2.732   6.086
  945   2HD2  LEU 125          HD22      LEU 125 -35.978   3.677   7.505
  946   3HD2  LEU 125          HD23      LEU 125 -34.470   4.023   6.656
  947    H    GLU 126           HN       GLU 126 -39.783   4.026   4.282
  948    HA   GLU 126           HA       GLU 126 -41.253   1.667   3.444
  949   1HB   GLU 126          HB2       GLU 126 -41.518   2.892   6.179
  950   2HB   GLU 126          HB1       GLU 126 -42.858   2.034   5.432
  951   1HG   GLU 126          HG2       GLU 126 -40.134   0.841   5.882
  952   2HG   GLU 126          HG1       GLU 126 -41.493   0.665   6.992
  953    H    HIS 127           HN       HIS 127 -41.655   4.926   4.835
  954    HA   HIS 127           HA       HIS 127 -43.988   5.395   3.179
  955   1HB   HIS 127          HB2       HIS 127 -43.983   6.209   5.489
  956   2HB   HIS 127          HB1       HIS 127 -42.565   7.197   5.150
  957    HD1  HIS 127           HD1      HIS 127 -42.937   9.444   4.034
  958    HD2  HIS 127           HD2      HIS 127 -46.399   7.160   4.307
  959    HE1  HIS 127           HE1      HIS 127 -44.817  10.991   3.402
  960    HE2  HIS 127           HE2      HIS 127 -46.889   9.562   3.484
  961    H    HIS 128           HN       HIS 128 -43.803   6.068   1.161
  962    HA   HIS 128           HA       HIS 128 -41.736   8.041   0.496
  963   1HB   HIS 128          HB2       HIS 128 -41.300   6.875  -1.642
  964   2HB   HIS 128          HB1       HIS 128 -40.864   5.892  -0.249
  965    HD1  HIS 128           HD1      HIS 128 -42.713   5.757  -3.342
  966    HD2  HIS 128           HD2      HIS 128 -42.969   3.895   0.364
  967    HE1  HIS 128           HE1      HIS 128 -44.129   3.713  -3.714
  968    HE2  HIS 128           HE2      HIS 128 -44.208   2.562  -1.473
  969    H    HIS 129           HN       HIS 129 -42.200   9.192  -1.556
  970    HA   HIS 129           HA       HIS 129 -44.957   9.079  -2.473
  971   1HB   HIS 129          HB2       HIS 129 -45.034  10.611  -0.544
  972   2HB   HIS 129          HB1       HIS 129 -43.788  11.606  -1.289
  973    HD1  HIS 129           HD1      HIS 129 -44.642  13.527  -2.584
  974    HD2  HIS 129           HD2      HIS 129 -47.449  10.476  -2.315
  975    HE1  HIS 129           HE1      HIS 129 -46.710  14.415  -3.707
  976    HE2  HIS 129           HE2      HIS 129 -48.414  12.572  -3.480
  977    H    HIS 130           HN       HIS 130 -41.845  10.777  -2.673
  978    HA   HIS 130           HA       HIS 130 -42.143  12.039  -5.108
  979   1HB   HIS 130          HB2       HIS 130 -39.687  11.936  -5.304
  980   2HB   HIS 130          HB1       HIS 130 -40.196  12.389  -3.681
  981    HD1  HIS 130           HD1      HIS 130 -39.464  10.906  -1.775
  982    HD2  HIS 130           HD2      HIS 130 -38.647   9.269  -5.505
  983    HE1  HIS 130           HE1      HIS 130 -38.016   8.899  -1.325
  984    HE2  HIS 130           HE2      HIS 130 -37.491   7.955  -3.601
  985    H    HIS 131           HN       HIS 131 -41.667  11.499  -7.252
  986    HA   HIS 131           HA       HIS 131 -41.787   8.613  -7.815
  987   1HB   HIS 131          HB2       HIS 131 -42.780   9.242  -9.985
  988   2HB   HIS 131          HB1       HIS 131 -43.734   9.832  -8.628
  989    HD1  HIS 131           HD1      HIS 131 -41.715  10.978 -11.528
  990    HD2  HIS 131           HD2      HIS 131 -43.731  12.639  -8.296
  991    HE1  HIS 131           HE1      HIS 131 -41.879  13.437 -12.030
  992    HE2  HIS 131           HE2      HIS 131 -43.173  14.410 -10.099
  993    H    HIS 132           HN       HIS 132 -41.016   8.361 -10.313
  994    HA   HIS 132           HA       HIS 132 -38.510   9.789 -10.740
  995   1HB   HIS 132          HB2       HIS 132 -37.798   7.913  -9.386
  996   2HB   HIS 132          HB1       HIS 132 -38.684   6.787 -10.408
  997    HD1  HIS 132           HD1      HIS 132 -37.504   5.894 -12.442
  998    HD2  HIS 132           HD2      HIS 132 -35.451   9.023 -10.636
  999    HE1  HIS 132           HE1      HIS 132 -35.268   5.981 -13.588
 1000    HE2  HIS 132           HE2      HIS 132 -34.008   7.818 -12.413
  Start of MODEL   21
    1   1H    MET   0           HT1      MET   0  35.444  -0.243  -3.847
    2   2H    MET   0           HT2      MET   0  36.291  -1.623  -3.355
    3   3H    MET   0           HT3      MET   0  35.027  -1.023  -2.403
    4    HA   MET   0           HA       MET   0  34.754  -2.144  -5.130
    5   1HB   MET   0          HB2       MET   0  33.807  -3.288  -2.497
    6   2HB   MET   0          HB1       MET   0  33.689  -4.043  -4.081
    7   1HG   MET   0          HG2       MET   0  36.240  -3.437  -2.602
    8   2HG   MET   0          HG1       MET   0  35.477  -5.019  -2.751
    9   1HE   MET   0          HE1       MET   0  35.873  -5.818  -6.537
   10   2HE   MET   0          HE2       MET   0  34.479  -5.146  -5.690
   11   3HE   MET   0          HE3       MET   0  35.413  -6.450  -4.956
   12    H    ASN   1           HN       ASN   1  32.855  -1.491  -2.181
   13    HA   ASN   1           HA       ASN   1  30.827  -0.535  -1.845
   14   1HB   ASN   1          HB2       ASN   1  31.831   0.893  -4.253
   15   2HB   ASN   1          HB1       ASN   1  30.123   1.073  -3.859
   16   1HD2  ASN   1          HD21      ASN   1  29.536   2.021  -1.901
   17   2HD2  ASN   1          HD22      ASN   1  30.626   3.019  -1.009
   18    H    CYS   2           HN       CYS   2  28.579  -0.595  -2.482
   19    HA   CYS   2           HA       CYS   2  28.038  -2.927  -4.125
   20   1HB   CYS   2          HB2       CYS   2  26.316  -1.270  -2.289
   21   2HB   CYS   2          HB1       CYS   2  25.670  -2.573  -3.283
   22    H    GLY   3           HN       GLY   3  28.293   0.322  -4.723
   23   1HA   GLY   3          HA2       GLY   3  27.904   1.368  -6.779
   24   2HA   GLY   3          HA1       GLY   3  26.846   0.036  -7.229
   25    HA   PRO   4           HA       PRO   4  24.634   4.123  -5.748
   26   1HB   PRO   4          HB2       PRO   4  23.700   3.864  -8.575
   27   2HB   PRO   4          HB1       PRO   4  24.008   5.319  -7.619
   28   1HG   PRO   4          HG2       PRO   4  25.766   4.539  -9.447
   29   2HG   PRO   4          HG1       PRO   4  26.318   5.156  -7.880
   30   1HD   PRO   4          HD2       PRO   4  26.200   2.340  -8.875
   31   2HD   PRO   4          HD1       PRO   4  27.413   3.123  -7.840
   32    HA   PRO   5           HA       PRO   5  21.435   1.190  -4.662
   33   1HB   PRO   5          HB2       PRO   5  20.038   3.750  -4.028
   34   2HB   PRO   5          HB1       PRO   5  20.215   2.291  -3.046
   35   1HG   PRO   5          HG2       PRO   5  21.677   4.450  -2.527
   36   2HG   PRO   5          HG1       PRO   5  22.384   2.827  -2.411
   37   1HD   PRO   5          HD2       PRO   5  22.728   4.898  -4.535
   38   2HD   PRO   5          HD1       PRO   5  23.900   3.729  -3.894
   39    HA   PRO   6           HA       PRO   6  18.801   1.472  -8.231
   40   1HB   PRO   6          HB2       PRO   6  17.051  -0.519  -7.113
   41   2HB   PRO   6          HB1       PRO   6  18.285  -0.734  -8.353
   42   1HG   PRO   6          HG2       PRO   6  18.406  -1.810  -5.824
   43   2HG   PRO   6          HG1       PRO   6  19.809  -1.523  -6.866
   44   1HD   PRO   6          HD2       PRO   6  18.794   0.084  -4.570
   45   2HD   PRO   6          HD1       PRO   6  20.465  -0.235  -5.077
   46    H    THR   7           HN       THR   7  16.336   1.333  -8.580
   47    HA   THR   7           HA       THR   7  15.103   3.324  -6.825
   48    HB   THR   7           HB       THR   7  14.213   2.316  -9.544
   49    HG1  THR   7           HG1      THR   7  16.164   3.834  -9.168
   50   1HG2  THR   7          HG21      THR   7  12.316   3.045  -8.197
   51   2HG2  THR   7          HG22      THR   7  12.631   4.199  -9.492
   52   3HG2  THR   7          HG23      THR   7  13.134   4.566  -7.842
   53    H    LEU   8           HN       LEU   8  13.557   2.750  -5.414
   54    HA   LEU   8           HA       LEU   8  12.466   0.046  -5.665
   55   1HB   LEU   8          HB2       LEU   8  12.730   1.769  -3.206
   56   2HB   LEU   8          HB1       LEU   8  12.132   0.120  -3.248
   57    HG   LEU   8           HG       LEU   8  14.463  -0.425  -4.280
   58   1HD1  LEU   8          HD11      LEU   8  15.098   1.951  -4.557
   59   2HD1  LEU   8          HD12      LEU   8  16.253   1.019  -3.606
   60   3HD1  LEU   8          HD13      LEU   8  15.127   2.111  -2.800
   61   1HD2  LEU   8          HD21      LEU   8  13.609  -1.152  -2.067
   62   2HD2  LEU   8          HD22      LEU   8  14.260   0.331  -1.369
   63   3HD2  LEU   8          HD23      LEU   8  15.348  -0.857  -2.086
   64    H    SER   9           HN       SER   9  10.512   0.025  -6.490
   65    HA   SER   9           HA       SER   9   8.745   2.286  -6.300
   66   1HB   SER   9          HB2       SER   9   8.233  -0.530  -7.317
   67   2HB   SER   9          HB1       SER   9   7.120   0.829  -7.492
   68    HG   SER   9           HG       SER   9   8.199   0.974  -9.327
   69    H    PHE  10           HN       PHE  10   9.695   0.118  -4.116
   70    HA   PHE  10           HA       PHE  10   7.124   0.148  -2.686
   71   1HB   PHE  10          HB2       PHE  10   8.041  -1.940  -1.513
   72   2HB   PHE  10          HB1       PHE  10   7.471  -2.127  -3.165
   73    HD1  PHE  10           HD1      PHE  10  10.198  -2.578  -0.922
   74    HD2  PHE  10           HD2      PHE  10   9.204  -2.109  -5.032
   75    HE1  PHE  10           HE1      PHE  10  12.362  -3.564  -1.553
   76    HE2  PHE  10           HE2      PHE  10  11.366  -3.093  -5.672
   77    HZ   PHE  10           HZ       PHE  10  12.948  -3.822  -3.931
   78    H    ALA  11           HN       ALA  11   8.949   2.216  -2.592
   79    HA   ALA  11           HA       ALA  11   9.178   3.037  -0.105
   80   1HB   ALA  11          HB1       ALA  11  11.378   2.467   0.794
   81   2HB   ALA  11          HB2       ALA  11  11.713   1.464  -0.619
   82   3HB   ALA  11          HB3       ALA  11  10.441   0.998   0.511
   83    H    ALA  12           HN       ALA  12  10.279   4.957   0.089
   84    HA   ALA  12           HA       ALA  12  11.913   5.773  -2.222
   85   1HB   ALA  12          HB1       ALA  12   9.844   7.491  -0.851
   86   2HB   ALA  12          HB2       ALA  12   9.612   6.660  -2.389
   87   3HB   ALA  12          HB3       ALA  12  10.825   7.932  -2.248
   88    HA   PRO  13           HA       PRO  13  15.068   7.213   0.511
   89   1HB   PRO  13          HB2       PRO  13  14.882   9.816  -0.934
   90   2HB   PRO  13          HB1       PRO  13  16.299   8.816  -0.596
   91   1HG   PRO  13          HG2       PRO  13  15.223   8.861  -3.029
   92   2HG   PRO  13          HG1       PRO  13  15.839   7.348  -2.336
   93   1HD   PRO  13          HD2       PRO  13  13.023   8.270  -2.679
   94   2HD   PRO  13          HD1       PRO  13  13.698   6.632  -2.789
   95    H    MET  14           HN       MET  14  15.397   8.513   2.335
   96    HA   MET  14           HA       MET  14  13.546  10.640   2.958
   97   1HB   MET  14          HB2       MET  14  12.231   8.709   3.631
   98   2HB   MET  14          HB1       MET  14  13.575   8.092   4.582
   99   1HG   MET  14          HG2       MET  14  13.380   9.844   6.163
  100   2HG   MET  14          HG1       MET  14  12.255  10.733   5.136
  101   1HE   MET  14          HE1       MET  14  12.232   6.841   5.819
  102   2HE   MET  14          HE2       MET  14  11.200   6.765   7.247
  103   3HE   MET  14          HE3       MET  14  12.782   7.539   7.343
  104    H    ASP  15           HN       ASP  15  16.426   8.893   3.458
  105    HA   ASP  15           HA       ASP  15  17.587  11.104   4.894
  106   1HB   ASP  15          HB2       ASP  15  16.550   9.691   6.690
  107   2HB   ASP  15          HB1       ASP  15  17.621   8.381   6.207
  108    H    ILE  16           HN       ILE  16  18.607  10.960   2.742
  109    HA   ILE  16           HA       ILE  16  21.179   9.803   2.916
  110    HB   ILE  16           HB       ILE  16  20.187   7.755   2.310
  111   1HG1  ILE  16          HG12      ILE  16  21.206   9.005  -0.239
  112   2HG1  ILE  16          HG11      ILE  16  22.222   8.347   1.038
  113   1HG2  ILE  16          HG21      ILE  16  18.016   8.682   1.610
  114   2HG2  ILE  16          HG22      ILE  16  18.618   7.432   0.520
  115   3HG2  ILE  16          HG23      ILE  16  18.743   9.132   0.066
  116   1HD1  ILE  16          HD11      ILE  16  22.045   6.778  -0.780
  117   2HD1  ILE  16          HD12      ILE  16  20.284   6.809  -0.672
  118   3HD1  ILE  16          HD13      ILE  16  21.236   6.132   0.648
  119    H    THR  17           HN       THR  17  21.874  11.886   2.410
  120    HA   THR  17           HA       THR  17  20.941  13.493   0.352
  121    HB   THR  17           HB       THR  17  23.215  14.504   0.273
  122    HG1  THR  17           HG1      THR  17  24.709  13.044   0.748
  123   1HG2  THR  17          HG21      THR  17  23.225  15.333   2.575
  124   2HG2  THR  17          HG22      THR  17  22.163  14.014   3.062
  125   3HG2  THR  17          HG23      THR  17  21.579  15.248   1.946
  126    H    LEU  18           HN       LEU  18  20.721  12.981  -1.720
  127    HA   LEU  18           HA       LEU  18  22.158  10.820  -2.867
  128   1HB   LEU  18          HB2       LEU  18  19.987  12.636  -3.685
  129   2HB   LEU  18          HB1       LEU  18  20.960  11.993  -4.989
  130    HG   LEU  18           HG       LEU  18  19.051  10.572  -4.714
  131   1HD1  LEU  18          HD11      LEU  18  20.117   8.422  -4.181
  132   2HD1  LEU  18          HD12      LEU  18  21.500   9.291  -3.512
  133   3HD1  LEU  18          HD13      LEU  18  21.122   9.424  -5.230
  134   1HD2  LEU  18          HD21      LEU  18  18.323  11.088  -2.519
  135   2HD2  LEU  18          HD22      LEU  18  19.835  10.521  -1.811
  136   3HD2  LEU  18          HD23      LEU  18  18.710   9.367  -2.530
  137    H    THR  19           HN       THR  19  23.605  13.260  -1.976
  138    HA   THR  19           HA       THR  19  24.632  14.535  -4.329
  139    HB   THR  19           HB       THR  19  26.103  15.729  -2.882
  140    HG1  THR  19           HG1      THR  19  25.477  13.760  -0.912
  141   1HG2  THR  19          HG21      THR  19  23.484  15.186  -1.476
  142   2HG2  THR  19          HG22      THR  19  23.807  16.443  -2.671
  143   3HG2  THR  19          HG23      THR  19  24.573  16.518  -1.085
  144    H    GLU  20           HN       GLU  20  25.399  11.754  -2.432
  145    HA   GLU  20           HA       GLU  20  28.026  11.422  -3.642
  146   1HB   GLU  20          HB2       GLU  20  26.526   9.626  -1.724
  147   2HB   GLU  20          HB1       GLU  20  28.211   9.454  -2.198
  148   1HG   GLU  20          HG2       GLU  20  27.081  11.827  -0.734
  149   2HG   GLU  20          HG1       GLU  20  27.899  10.466   0.032
  150    H    THR  21           HN       THR  21  28.182   8.706  -3.961
  151    HA   THR  21           HA       THR  21  26.001   7.881  -5.706
  152    HB   THR  21           HB       THR  21  28.763   7.695  -6.851
  153    HG1  THR  21           HG1      THR  21  28.126   9.968  -6.266
  154   1HG2  THR  21          HG21      THR  21  26.020   7.935  -8.089
  155   2HG2  THR  21          HG22      THR  21  26.929   6.439  -7.883
  156   3HG2  THR  21          HG23      THR  21  27.533   7.696  -8.962
  157    H    ARG  22           HN       ARG  22  28.616   7.220  -3.636
  158    HA   ARG  22           HA       ARG  22  28.218   4.327  -4.004
  159   1HB   ARG  22          HB2       ARG  22  30.768   5.711  -3.189
  160   2HB   ARG  22          HB1       ARG  22  30.537   3.976  -3.333
  161   1HG   ARG  22          HG2       ARG  22  30.099   4.259  -5.740
  162   2HG   ARG  22          HG1       ARG  22  30.423   5.986  -5.571
  163   1HD   ARG  22          HD2       ARG  22  32.364   3.746  -5.005
  164   2HD   ARG  22          HD1       ARG  22  32.381   4.804  -6.416
  165    HE   ARG  22           HE       ARG  22  32.560   6.573  -4.423
  166   1HH1  ARG  22          HH11      ARG  22  34.268   3.591  -5.008
  167   2HH1  ARG  22          HH12      ARG  22  35.719   4.119  -4.225
  168   1HH2  ARG  22          HH21      ARG  22  34.470   7.275  -3.390
  169   2HH2  ARG  22          HH22      ARG  22  35.834   6.212  -3.306
  170    H    PHE  23           HN       PHE  23  28.363   3.051  -2.082
  171    HA   PHE  23           HA       PHE  23  28.380   4.422   0.492
  172   1HB   PHE  23          HB2       PHE  23  26.036   2.727  -0.406
  173   2HB   PHE  23          HB1       PHE  23  26.240   3.460   1.182
  174    HD1  PHE  23           HD1      PHE  23  25.590   5.687   1.584
  175    HD2  PHE  23           HD2      PHE  23  25.763   4.207  -2.400
  176    HE1  PHE  23           HE1      PHE  23  24.484   7.733   0.777
  177    HE2  PHE  23           HE2      PHE  23  24.671   6.244  -3.214
  178    HZ   PHE  23           HZ       PHE  23  24.019   8.014  -1.626
  179    H    LYS  24           HN       LYS  24  30.221   3.300   1.004
  180    HA   LYS  24           HA       LYS  24  31.026   0.750   0.617
  181   1HB   LYS  24          HB2       LYS  24  31.905   0.861   3.043
  182   2HB   LYS  24          HB1       LYS  24  32.504   2.007   1.855
  183   1HG   LYS  24          HG2       LYS  24  30.934   3.693   2.710
  184   2HG   LYS  24          HG1       LYS  24  30.373   2.534   3.917
  185   1HD   LYS  24          HD2       LYS  24  32.673   2.409   4.815
  186   2HD   LYS  24          HD1       LYS  24  33.163   3.651   3.658
  187   1HE   LYS  24          HE2       LYS  24  32.720   4.608   5.863
  188   2HE   LYS  24          HE1       LYS  24  31.592   5.220   4.654
  189   1HZ   LYS  24          HZ1       LYS  24  30.505   4.633   6.755
  190   2HZ   LYS  24          HZ2       LYS  24  30.999   3.026   6.564
  191   3HZ   LYS  24          HZ3       LYS  24  29.918   3.715   5.461
  192    H    THR  25           HN       THR  25  31.030  -1.149   2.024
  193    HA   THR  25           HA       THR  25  28.452  -2.115   2.497
  194    HB   THR  25           HB       THR  25  29.686  -3.858   3.915
  195    HG1  THR  25           HG1      THR  25  31.998  -3.849   3.460
  196   1HG2  THR  25          HG21      THR  25  29.033  -4.125   1.510
  197   2HG2  THR  25          HG22      THR  25  30.458  -5.055   1.978
  198   3HG2  THR  25          HG23      THR  25  30.642  -3.550   1.073
  199    H    GLY  26           HN       GLY  26  27.751  -2.935   4.742
  200   1HA   GLY  26          HA2       GLY  26  27.257  -2.521   6.956
  201   2HA   GLY  26          HA1       GLY  26  28.685  -1.499   7.030
  202    H    THR  27           HN       THR  27  27.494   0.019   4.605
  203    HA   THR  27           HA       THR  27  26.394   2.170   6.045
  204    HB   THR  27           HB       THR  27  27.465   2.081   3.665
  205    HG1  THR  27           HG1      THR  27  25.618   3.897   3.267
  206   1HG2  THR  27          HG21      THR  27  26.019   1.915   1.823
  207   2HG2  THR  27          HG22      THR  27  24.575   1.998   2.838
  208   3HG2  THR  27          HG23      THR  27  25.582   0.547   2.850
  209    H    THR  28           HN       THR  28  24.136   3.003   5.861
  210    HA   THR  28           HA       THR  28  22.142   1.069   5.032
  211    HB   THR  28           HB       THR  28  22.311   1.922   7.922
  212    HG1  THR  28           HG1      THR  28  22.221  -0.668   7.750
  213   1HG2  THR  28          HG21      THR  28  20.359   0.405   8.206
  214   2HG2  THR  28          HG22      THR  28  20.251   0.279   6.450
  215   3HG2  THR  28          HG23      THR  28  20.001   1.835   7.239
  216    H    LEU  29           HN       LEU  29  20.464   2.040   4.166
  217    HA   LEU  29           HA       LEU  29  20.218   4.922   4.386
  218   1HB   LEU  29          HB2       LEU  29  18.157   3.433   2.892
  219   2HB   LEU  29          HB1       LEU  29  19.059   4.863   2.437
  220    HG   LEU  29           HG       LEU  29  20.004   2.004   2.243
  221   1HD1  LEU  29          HD11      LEU  29  18.385   2.735   0.530
  222   2HD1  LEU  29          HD12      LEU  29  19.980   2.393  -0.139
  223   3HD1  LEU  29          HD13      LEU  29  19.467   4.063   0.107
  224   1HD2  LEU  29          HD21      LEU  29  21.450   4.571   1.633
  225   2HD2  LEU  29          HD22      LEU  29  21.999   2.963   1.160
  226   3HD2  LEU  29          HD23      LEU  29  21.870   3.384   2.867
  227    H    LYS  30           HN       LYS  30  17.540   5.349   4.088
  228    HA   LYS  30           HA       LYS  30  16.367   4.249   6.557
  229   1HB   LYS  30          HB2       LYS  30  17.039   6.758   6.496
  230   2HB   LYS  30          HB1       LYS  30  15.643   6.949   5.442
  231   1HG   LYS  30          HG2       LYS  30  15.073   7.484   7.735
  232   2HG   LYS  30          HG1       LYS  30  14.193   6.054   7.192
  233   1HD   LYS  30          HD2       LYS  30  15.812   4.623   8.343
  234   2HD   LYS  30          HD1       LYS  30  16.691   6.054   8.885
  235   1HE   LYS  30          HE2       LYS  30  15.226   5.160  10.637
  236   2HE   LYS  30          HE1       LYS  30  14.761   6.791  10.155
  237   1HZ   LYS  30          HZ1       LYS  30  13.457   4.279   9.253
  238   2HZ   LYS  30          HZ2       LYS  30  13.014   5.841   8.776
  239   3HZ   LYS  30          HZ3       LYS  30  12.832   5.366  10.389
  240    H    TYR  31           HN       TYR  31  15.191   6.188   3.831
  241    HA   TYR  31           HA       TYR  31  13.480   5.931   2.378
  242   1HB   TYR  31          HB2       TYR  31  14.436   3.150   2.791
  243   2HB   TYR  31          HB1       TYR  31  12.896   3.362   1.968
  244    HD1  TYR  31           HD1      TYR  31  12.973   3.450  -0.330
  245    HD2  TYR  31           HD2      TYR  31  16.340   4.828   1.875
  246    HE1  TYR  31           HE1      TYR  31  14.163   3.891  -2.435
  247    HE2  TYR  31           HE2      TYR  31  17.540   5.272  -0.225
  248    HH   TYR  31           HH       TYR  31  15.996   5.267  -3.262
  249    H    THR  32           HN       THR  32  11.344   6.071   2.427
  250    HA   THR  32           HA       THR  32   9.927   4.928   4.741
  251    HB   THR  32           HB       THR  32   9.792   7.215   5.126
  252    HG1  THR  32           HG1      THR  32   7.681   7.342   5.123
  253   1HG2  THR  32          HG21      THR  32   9.420   7.608   2.156
  254   2HG2  THR  32          HG22      THR  32  10.864   7.988   3.097
  255   3HG2  THR  32          HG23      THR  32   9.374   8.896   3.362
  256    H    CYS  33           HN       CYS  33   7.527   4.641   4.312
  257    HA   CYS  33           HA       CYS  33   7.181   3.611   1.575
  258   1HB   CYS  33          HB2       CYS  33   5.959   2.637   4.164
  259   2HB   CYS  33          HB1       CYS  33   5.535   2.022   2.570
  260    H    LEU  34           HN       LEU  34   6.066   4.870   0.437
  261    HA   LEU  34           HA       LEU  34   4.559   7.010   0.835
  262   1HB   LEU  34          HB2       LEU  34   3.685   4.860  -1.086
  263   2HB   LEU  34          HB1       LEU  34   3.348   6.576  -1.206
  264    HG   LEU  34           HG       LEU  34   6.087   5.317  -1.416
  265   1HD1  LEU  34          HD11      LEU  34   5.955   5.900  -3.774
  266   2HD1  LEU  34          HD12      LEU  34   4.317   6.512  -3.544
  267   3HD1  LEU  34          HD13      LEU  34   4.655   4.794  -3.329
  268   1HD2  LEU  34          HD21      LEU  34   6.186   7.557  -0.483
  269   2HD2  LEU  34          HD22      LEU  34   5.183   8.168  -1.799
  270   3HD2  LEU  34          HD23      LEU  34   6.799   7.548  -2.137
  271    HA   PRO  35           HA       PRO  35   0.856   6.333   3.071
  272   1HB   PRO  35          HB2       PRO  35  -0.624   7.914   1.063
  273   2HB   PRO  35          HB1       PRO  35  -0.381   8.225   2.785
  274   1HG   PRO  35          HG2       PRO  35   0.876   9.678   0.922
  275   2HG   PRO  35          HG1       PRO  35   1.671   9.240   2.447
  276   1HD   PRO  35          HD2       PRO  35   1.993   8.029  -0.275
  277   2HD   PRO  35          HD1       PRO  35   3.228   8.401   0.947
  278    H    GLY  36           HN       GLY  36   0.124   4.279   2.946
  279   1HA   GLY  36          HA2       GLY  36  -1.998   3.176   2.259
  280   2HA   GLY  36          HA1       GLY  36  -1.598   3.661   0.623
  281    H    TYR  37           HN       TYR  37   1.185   2.606   2.302
  282    HA   TYR  37           HA       TYR  37   1.396   0.341   0.701
  283   1HB   TYR  37          HB2       TYR  37   2.988   1.483   2.904
  284   2HB   TYR  37          HB1       TYR  37   3.218  -0.238   2.592
  285    HD1  TYR  37           HD1      TYR  37   3.555   3.141   1.187
  286    HD2  TYR  37           HD2      TYR  37   4.207  -1.004   0.515
  287    HE1  TYR  37           HE1      TYR  37   4.995   3.682  -0.726
  288    HE2  TYR  37           HE2      TYR  37   5.649  -0.472  -1.404
  289    HH   TYR  37           HH       TYR  37   5.959   1.402  -3.006
  290    H    VAL  38           HN       VAL  38   1.428  -1.825   1.119
  291    HA   VAL  38           HA       VAL  38  -0.394  -2.608   3.276
  292    HB   VAL  38           HB       VAL  38  -0.599  -3.303   0.362
  293   1HG1  VAL  38          HG11      VAL  38  -0.637  -5.403   1.557
  294   2HG1  VAL  38          HG12      VAL  38  -2.249  -5.009   0.958
  295   3HG1  VAL  38          HG13      VAL  38  -1.860  -4.776   2.662
  296   1HG2  VAL  38          HG21      VAL  38  -2.563  -2.272   2.402
  297   2HG2  VAL  38          HG22      VAL  38  -2.968  -2.699   0.739
  298   3HG2  VAL  38          HG23      VAL  38  -1.853  -1.371   1.062
  299    H    ARG  39           HN       ARG  39  -0.177  -4.737   4.029
  300    HA   ARG  39           HA       ARG  39   1.118  -6.422   4.863
  301   1HB   ARG  39          HB2       ARG  39   1.300  -6.871   1.888
  302   2HB   ARG  39          HB1       ARG  39   1.759  -8.068   3.093
  303   1HG   ARG  39          HG2       ARG  39  -0.519  -8.097   3.951
  304   2HG   ARG  39          HG1       ARG  39  -0.986  -6.872   2.771
  305   1HD   ARG  39          HD2       ARG  39  -1.663  -9.033   1.966
  306   2HD   ARG  39          HD1       ARG  39  -0.346  -8.430   0.961
  307    HE   ARG  39           HE       ARG  39   0.836  -9.978   2.913
  308   1HH1  ARG  39          HH11      ARG  39  -1.496 -10.436   0.366
  309   2HH1  ARG  39          HH12      ARG  39  -1.083 -12.098   0.109
  310   1HH2  ARG  39          HH21      ARG  39   1.387 -12.169   2.583
  311   2HH2  ARG  39          HH22      ARG  39   0.555 -13.083   1.369
  312    H    SER  40           HN       SER  40   3.268  -7.657   3.148
  313    HA   SER  40           HA       SER  40   5.510  -7.711   3.005
  314   1HB   SER  40          HB2       SER  40   5.143  -5.696   1.614
  315   2HB   SER  40          HB1       SER  40   5.336  -4.699   3.056
  316    HG   SER  40           HG       SER  40   7.298  -6.525   2.139
  317    H    HIS  41           HN       HIS  41   4.175  -7.609   5.645
  318    HA   HIS  41           HA       HIS  41   4.749  -7.592   7.848
  319   1HB   HIS  41          HB2       HIS  41   7.586  -7.498   6.804
  320   2HB   HIS  41          HB1       HIS  41   7.076  -8.027   8.404
  321    HD1  HIS  41           HD1      HIS  41   7.423  -9.171   4.900
  322    HD2  HIS  41           HD2      HIS  41   5.825 -10.579   8.468
  323    HE1  HIS  41           HE1      HIS  41   7.019 -11.626   4.532
  324    HE2  HIS  41           HE2      HIS  41   5.974 -12.438   6.675
  325    H    SER  42           HN       SER  42   7.103  -6.379   9.025
  326    HA   SER  42           HA       SER  42   6.088  -3.773   9.481
  327   1HB   SER  42          HB2       SER  42   7.330  -5.149  11.158
  328   2HB   SER  42          HB1       SER  42   8.803  -4.861  10.228
  329    HG   SER  42           HG       SER  42   7.505  -3.224  11.978
  330    H    THR  43           HN       THR  43   9.469  -3.685   9.256
  331    HA   THR  43           HA       THR  43   9.661  -2.638   6.585
  332    HB   THR  43           HB       THR  43  10.372  -0.663   8.724
  333    HG1  THR  43           HG1      THR  43   8.249  -0.759   9.162
  334   1HG2  THR  43          HG21      THR  43  11.189  -0.300   6.444
  335   2HG2  THR  43          HG22      THR  43  10.039   0.949   6.918
  336   3HG2  THR  43          HG23      THR  43   9.533  -0.352   5.840
  337    H    GLN  44           HN       GLN  44  11.927  -1.717   6.216
  338    HA   GLN  44           HA       GLN  44  13.938  -2.566   8.110
  339   1HB   GLN  44          HB2       GLN  44  13.233  -4.520   6.465
  340   2HB   GLN  44          HB1       GLN  44  14.311  -3.671   5.365
  341   1HG   GLN  44          HG2       GLN  44  16.111  -3.833   7.025
  342   2HG   GLN  44          HG1       GLN  44  15.027  -4.720   8.095
  343   1HE2  GLN  44          HE21      GLN  44  16.913  -4.829   5.189
  344   2HE2  GLN  44          HE22      GLN  44  16.844  -6.540   4.965
  345    H    THR  45           HN       THR  45  15.950  -2.610   5.862
  346    HA   THR  45           HA       THR  45  15.897   0.063   4.799
  347    HB   THR  45           HB       THR  45  18.085   0.696   5.835
  348    HG1  THR  45           HG1      THR  45  18.772  -1.345   6.545
  349   1HG2  THR  45          HG21      THR  45  17.149   1.345   8.026
  350   2HG2  THR  45          HG22      THR  45  15.786   0.258   7.749
  351   3HG2  THR  45          HG23      THR  45  16.026   1.657   6.702
  352    H    LEU  46           HN       LEU  46  18.328   0.445   3.895
  353    HA   LEU  46           HA       LEU  46  18.960  -2.024   2.419
  354   1HB   LEU  46          HB2       LEU  46  18.816   0.818   1.503
  355   2HB   LEU  46          HB1       LEU  46  19.876  -0.309   0.681
  356    HG   LEU  46           HG       LEU  46  18.037  -1.681   0.007
  357   1HD1  LEU  46          HD11      LEU  46  16.649  -1.707   1.922
  358   2HD1  LEU  46          HD12      LEU  46  15.689  -1.023   0.610
  359   3HD1  LEU  46          HD13      LEU  46  16.384   0.035   1.839
  360   1HD2  LEU  46          HD21      LEU  46  16.507   0.167  -1.036
  361   2HD2  LEU  46          HD22      LEU  46  18.175  -0.040  -1.575
  362   3HD2  LEU  46          HD23      LEU  46  17.767   1.244  -0.434
  363    H    THR  47           HN       THR  47  20.839  -2.855   2.911
  364    HA   THR  47           HA       THR  47  23.022  -1.078   3.806
  365    HB   THR  47           HB       THR  47  22.665  -3.995   4.531
  366    HG1  THR  47           HG1      THR  47  21.934  -3.220   6.538
  367   1HG2  THR  47          HG21      THR  47  24.337  -3.451   6.283
  368   2HG2  THR  47          HG22      THR  47  24.523  -1.852   5.563
  369   3HG2  THR  47          HG23      THR  47  24.967  -3.290   4.643
  370    H    CYS  48           HN       CYS  48  25.140  -1.541   3.026
  371    HA   CYS  48           HA       CYS  48  25.108  -2.928   0.494
  372   1HB   CYS  48          HB2       CYS  48  26.333  -0.831   0.570
  373   2HB   CYS  48          HB1       CYS  48  27.304  -1.401   1.922
  374    H    ASN  49           HN       ASN  49  25.381  -5.011   0.419
  375    HA   ASN  49           HA       ASN  49  26.812  -6.390   2.556
  376   1HB   ASN  49          HB2       ASN  49  25.914  -8.446   1.244
  377   2HB   ASN  49          HB1       ASN  49  24.760  -7.460   2.140
  378   1HD2  ASN  49          HD21      ASN  49  23.496  -5.937   0.977
  379   2HD2  ASN  49          HD22      ASN  49  23.135  -6.201  -0.693
  380    H    SER  50           HN       SER  50  28.007  -8.487   1.528
  381    HA   SER  50           HA       SER  50  30.035  -7.336  -0.228
  382   1HB   SER  50          HB2       SER  50  30.818  -8.547   1.749
  383   2HB   SER  50          HB1       SER  50  29.959  -9.998   1.228
  384    HG   SER  50           HG       SER  50  31.493  -9.214  -0.780
  385    H    ASP  51           HN       ASP  51  28.101  -7.358  -1.774
  386    HA   ASP  51           HA       ASP  51  28.408  -9.576  -3.675
  387   1HB   ASP  51          HB2       ASP  51  25.713  -8.618  -2.724
  388   2HB   ASP  51          HB1       ASP  51  26.033  -9.878  -3.912
  389    H    GLY  52           HN       GLY  52  28.489  -6.404  -3.022
  390   1HA   GLY  52          HA2       GLY  52  28.401  -4.506  -4.297
  391   2HA   GLY  52          HA1       GLY  52  28.478  -5.571  -5.693
  392    H    GLU  53           HN       GLU  53  25.954  -6.200  -3.613
  393    HA   GLU  53           HA       GLU  53  24.060  -4.481  -5.076
  394   1HB   GLU  53          HB2       GLU  53  22.569  -6.236  -5.459
  395   2HB   GLU  53          HB1       GLU  53  24.135  -6.968  -5.775
  396   1HG   GLU  53          HG2       GLU  53  24.113  -7.905  -3.487
  397   2HG   GLU  53          HG1       GLU  53  22.489  -7.256  -3.276
  398    H    TRP  54           HN       TRP  54  21.981  -4.185  -3.936
  399    HA   TRP  54           HA       TRP  54  22.414  -3.901  -1.087
  400   1HB   TRP  54          HB2       TRP  54  20.195  -2.935  -2.903
  401   2HB   TRP  54          HB1       TRP  54  20.356  -2.538  -1.198
  402    HD1  TRP  54           HD1      TRP  54  21.718  -1.618  -4.612
  403    HE1  TRP  54           HE1      TRP  54  23.292   0.406  -4.375
  404    HE3  TRP  54           HE3      TRP  54  22.021  -1.440   0.468
  405    HZ2  TRP  54           HZ2      TRP  54  24.508   1.885  -2.292
  406    HZ3  TRP  54           HZ3      TRP  54  23.408   0.305   1.518
  407    HH2  TRP  54           HH2      TRP  54  24.626   1.931   0.162
  408    H    VAL  55           HN       VAL  55  21.813  -5.385   0.237
  409    HA   VAL  55           HA       VAL  55  19.828  -7.419  -0.532
  410    HB   VAL  55           HB       VAL  55  22.260  -7.393   1.201
  411   1HG1  VAL  55          HG11      VAL  55  20.366  -7.960   2.710
  412   2HG1  VAL  55          HG12      VAL  55  21.572  -9.233   2.534
  413   3HG1  VAL  55          HG13      VAL  55  20.031  -9.353   1.682
  414   1HG2  VAL  55          HG21      VAL  55  21.058  -9.579  -0.480
  415   2HG2  VAL  55          HG22      VAL  55  22.695  -9.506   0.181
  416   3HG2  VAL  55          HG23      VAL  55  22.201  -8.380  -1.084
  417    H    TYR  56           HN       TYR  56  18.111  -7.880   0.887
  418    HA   TYR  56           HA       TYR  56  17.816  -6.993   3.444
  419   1HB   TYR  56          HB2       TYR  56  16.354  -4.963   3.219
  420   2HB   TYR  56          HB1       TYR  56  18.024  -4.701   2.727
  421    HD1  TYR  56           HD1      TYR  56  18.573  -4.128   0.472
  422    HD2  TYR  56           HD2      TYR  56  14.574  -5.153   1.496
  423    HE1  TYR  56           HE1      TYR  56  17.807  -3.305  -1.715
  424    HE2  TYR  56           HE2      TYR  56  13.798  -4.333  -0.688
  425    HH   TYR  56           HH       TYR  56  15.930  -3.604  -3.242
  426    H    ASN  57           HN       ASN  57  15.365  -6.631   4.087
  427    HA   ASN  57           HA       ASN  57  13.862  -8.721   2.690
  428   1HB   ASN  57          HB2       ASN  57  13.376  -7.450   5.395
  429   2HB   ASN  57          HB1       ASN  57  12.447  -8.778   4.707
  430   1HD2  ASN  57          HD21      ASN  57  12.956 -10.131   6.421
  431   2HD2  ASN  57          HD22      ASN  57  14.525 -10.831   6.604
  432    H    THR  58           HN       THR  58  11.420  -8.351   2.655
  433    HA   THR  58           HA       THR  58  10.965  -5.852   1.288
  434    HB   THR  58           HB       THR  58   8.756  -7.789   1.866
  435    HG1  THR  58           HG1      THR  58   9.703  -9.318   0.749
  436   1HG2  THR  58          HG21      THR  58   8.111  -7.155  -0.440
  437   2HG2  THR  58          HG22      THR  58   9.518  -6.094  -0.516
  438   3HG2  THR  58          HG23      THR  58   8.226  -5.764   0.639
  439    H    PHE  59           HN       PHE  59  10.663  -4.117   2.501
  440    HA   PHE  59           HA       PHE  59   9.540  -4.225   5.135
  441   1HB   PHE  59          HB2       PHE  59   9.531  -1.557   4.417
  442   2HB   PHE  59          HB1       PHE  59  10.848  -2.409   5.216
  443    HD1  PHE  59           HD1      PHE  59   9.567  -1.431   1.876
  444    HD2  PHE  59           HD2      PHE  59  12.922  -2.629   4.202
  445    HE1  PHE  59           HE1      PHE  59  11.054  -0.931  -0.018
  446    HE2  PHE  59           HE2      PHE  59  14.416  -2.131   2.312
  447    HZ   PHE  59           HZ       PHE  59  13.482  -1.280   0.199
  448    H    CYS  60           HN       CYS  60   8.448  -2.762   2.062
  449    HA   CYS  60           HA       CYS  60   5.684  -3.252   2.886
  450   1HB   CYS  60          HB2       CYS  60   6.328  -0.605   1.649
  451   2HB   CYS  60          HB1       CYS  60   4.937  -1.080   2.617
  452    H    ILE  61           HN       ILE  61   4.155  -3.213   1.036
  453    HA   ILE  61           HA       ILE  61   5.547  -3.501  -1.534
  454    HB   ILE  61           HB       ILE  61   4.010  -5.369  -2.129
  455   1HG1  ILE  61          HG12      ILE  61   3.356  -5.183   0.814
  456   2HG1  ILE  61          HG11      ILE  61   2.235  -5.060  -0.538
  457   1HG2  ILE  61          HG21      ILE  61   5.344  -7.033  -1.094
  458   2HG2  ILE  61          HG22      ILE  61   5.707  -5.984   0.275
  459   3HG2  ILE  61          HG23      ILE  61   6.376  -5.619  -1.316
  460   1HD1  ILE  61          HD11      ILE  61   2.013  -7.203   0.530
  461   2HD1  ILE  61          HD12      ILE  61   3.736  -7.520   0.323
  462   3HD1  ILE  61          HD13      ILE  61   2.682  -7.413  -1.088
  463    H    TYR  62           HN       TYR  62   2.496  -2.689   0.050
  464    HA   TYR  62           HA       TYR  62   0.759  -1.287  -0.689
  465   1HB   TYR  62          HB2       TYR  62   2.955  -0.168  -1.737
  466   2HB   TYR  62          HB1       TYR  62   2.143  -0.645  -3.227
  467    HD1  TYR  62           HD1      TYR  62   2.683   2.020  -1.260
  468    HD2  TYR  62           HD2      TYR  62  -0.612  -0.104  -2.901
  469    HE1  TYR  62           HE1      TYR  62   1.309   4.042  -1.082
  470    HE2  TYR  62           HE2      TYR  62  -2.005   1.920  -2.730
  471    HH   TYR  62           HH       TYR  62  -0.618   4.980  -1.572
  472    H    LYS  63           HN       LYS  63  -1.044  -2.056  -1.301
  473    HA   LYS  63           HA       LYS  63  -1.592  -2.954  -3.927
  474   1HB   LYS  63          HB2       LYS  63  -2.009  -5.254  -3.626
  475   2HB   LYS  63          HB1       LYS  63  -0.432  -4.984  -2.900
  476   1HG   LYS  63          HG2       LYS  63  -1.515  -4.898  -0.681
  477   2HG   LYS  63          HG1       LYS  63  -3.054  -5.286  -1.452
  478   1HD   LYS  63          HD2       LYS  63  -2.230  -7.337  -0.647
  479   2HD   LYS  63          HD1       LYS  63  -1.885  -7.348  -2.374
  480   1HE   LYS  63          HE2       LYS  63   0.402  -6.456  -1.786
  481   2HE   LYS  63          HE1       LYS  63   0.007  -6.857  -0.117
  482   1HZ   LYS  63          HZ1       LYS  63   0.047  -8.780  -2.376
  483   2HZ   LYS  63          HZ2       LYS  63  -0.308  -9.154  -0.765
  484   3HZ   LYS  63          HZ3       LYS  63   1.244  -8.635  -1.189
  485    H    ARG  64           HN       ARG  64  -3.530  -2.030  -4.202
  486    HA   ARG  64           HA       ARG  64  -5.382  -1.915  -1.927
  487   1HB   ARG  64          HB2       ARG  64  -6.539  -0.163  -3.350
  488   2HB   ARG  64          HB1       ARG  64  -4.940   0.272  -2.759
  489   1HG   ARG  64          HG2       ARG  64  -5.143  -0.986  -5.441
  490   2HG   ARG  64          HG1       ARG  64  -5.661   0.692  -5.259
  491   1HD   ARG  64          HD2       ARG  64  -3.020  -0.200  -4.172
  492   2HD   ARG  64          HD1       ARG  64  -3.195   0.175  -5.887
  493    HE   ARG  64           HE       ARG  64  -4.024   2.161  -3.897
  494   1HH1  ARG  64          HH11      ARG  64  -1.851   1.151  -6.426
  495   2HH1  ARG  64          HH12      ARG  64  -1.172   2.730  -6.651
  496   1HH2  ARG  64          HH21      ARG  64  -3.138   4.243  -4.189
  497   2HH2  ARG  64          HH22      ARG  64  -1.905   4.487  -5.381
  498    H    CYS  65           HN       CYS  65  -7.522  -1.262  -4.046
  499    HA   CYS  65           HA       CYS  65  -7.848  -3.829  -5.359
  500   1HB   CYS  65          HB2       CYS  65 -10.343  -3.416  -4.224
  501   2HB   CYS  65          HB1       CYS  65  -9.185  -4.650  -3.751
  502    H    ARG  66           HN       ARG  66  -9.899  -3.827  -6.690
  503    HA   ARG  66           HA       ARG  66  -9.978  -1.456  -8.245
  504   1HB   ARG  66          HB2       ARG  66 -10.418  -3.700  -9.202
  505   2HB   ARG  66          HB1       ARG  66 -11.894  -3.800  -8.256
  506   1HG   ARG  66          HG2       ARG  66 -12.214  -1.429  -9.583
  507   2HG   ARG  66          HG1       ARG  66 -11.366  -2.425 -10.770
  508   1HD   ARG  66          HD2       ARG  66 -13.046  -4.196 -10.436
  509   2HD   ARG  66          HD1       ARG  66 -13.912  -3.136  -9.322
  510    HE   ARG  66           HE       ARG  66 -13.602  -1.756 -11.719
  511   1HH1  ARG  66          HH11      ARG  66 -15.226  -4.605 -10.539
  512   2HH1  ARG  66          HH12      ARG  66 -16.521  -4.498 -11.684
  513   1HH2  ARG  66          HH21      ARG  66 -15.305  -1.607 -13.229
  514   2HH2  ARG  66          HH22      ARG  66 -16.566  -2.796 -13.213
  515    H    HIS  67           HN       HIS  67 -11.610   0.071  -8.443
  516    HA   HIS  67           HA       HIS  67 -12.967   0.745  -6.050
  517   1HB   HIS  67          HB2       HIS  67 -12.232   2.314  -7.955
  518   2HB   HIS  67          HB1       HIS  67 -13.697   1.798  -8.784
  519    HD1  HIS  67           HD1      HIS  67 -12.923   4.712  -7.535
  520    HD2  HIS  67           HD2      HIS  67 -15.672   1.952  -6.091
  521    HE1  HIS  67           HE1      HIS  67 -14.542   6.041  -6.144
  522    HE2  HIS  67           HE2      HIS  67 -16.203   4.353  -5.285
  523    HA   PRO  68           HA       PRO  68 -16.298  -2.256  -6.452
  524   1HB   PRO  68          HB2       PRO  68 -17.982  -0.852  -4.724
  525   2HB   PRO  68          HB1       PRO  68 -16.855  -2.123  -4.257
  526   1HG   PRO  68          HG2       PRO  68 -16.535   0.838  -4.113
  527   2HG   PRO  68          HG1       PRO  68 -15.949  -0.414  -3.002
  528   1HD   PRO  68          HD2       PRO  68 -14.289   0.803  -4.714
  529   2HD   PRO  68          HD1       PRO  68 -14.120  -0.927  -4.346
  530    H    GLY  69           HN       GLY  69 -16.391   1.104  -7.195
  531   1HA   GLY  69          HA2       GLY  69 -17.438   1.733  -9.277
  532   2HA   GLY  69          HA1       GLY  69 -18.676   0.530  -8.960
  533    H    GLU  70           HN       GLU  70 -20.018   2.360  -9.539
  534    HA   GLU  70           HA       GLU  70 -20.285   4.524  -7.626
  535   1HB   GLU  70          HB2       GLU  70 -20.645   4.946 -10.043
  536   2HB   GLU  70          HB1       GLU  70 -21.986   3.810 -10.025
  537   1HG   GLU  70          HG2       GLU  70 -23.186   5.243  -8.457
  538   2HG   GLU  70          HG1       GLU  70 -21.842   6.385  -8.476
  539    H    LEU  71           HN       LEU  71 -21.701   4.746  -6.077
  540    HA   LEU  71           HA       LEU  71 -23.354   2.431  -5.396
  541   1HB   LEU  71          HB2       LEU  71 -21.769   3.859  -3.812
  542   2HB   LEU  71          HB1       LEU  71 -23.176   4.895  -3.705
  543    HG   LEU  71           HG       LEU  71 -23.034   1.990  -2.887
  544   1HD1  LEU  71          HD11      LEU  71 -23.458   4.452  -1.203
  545   2HD1  LEU  71          HD12      LEU  71 -21.901   3.645  -1.406
  546   3HD1  LEU  71          HD13      LEU  71 -23.243   2.791  -0.644
  547   1HD2  LEU  71          HD21      LEU  71 -25.340   3.924  -2.900
  548   2HD2  LEU  71          HD22      LEU  71 -25.314   2.448  -1.932
  549   3HD2  LEU  71          HD23      LEU  71 -25.239   2.352  -3.694
  550    H    ARG  72           HN       ARG  72 -25.180   2.578  -6.716
  551    HA   ARG  72           HA       ARG  72 -26.472   5.051  -7.240
  552   1HB   ARG  72          HB2       ARG  72 -26.917   3.188  -8.745
  553   2HB   ARG  72          HB1       ARG  72 -27.478   2.190  -7.408
  554   1HG   ARG  72          HG2       ARG  72 -29.423   3.600  -7.126
  555   2HG   ARG  72          HG1       ARG  72 -28.856   4.673  -8.410
  556   1HD   ARG  72          HD2       ARG  72 -29.617   1.770  -8.707
  557   2HD   ARG  72          HD1       ARG  72 -30.558   3.157  -9.252
  558    HE   ARG  72           HE       ARG  72 -28.078   3.368 -10.458
  559   1HH1  ARG  72          HH11      ARG  72 -30.737   1.115 -10.437
  560   2HH1  ARG  72          HH12      ARG  72 -30.452   0.564 -12.055
  561   1HH2  ARG  72          HH21      ARG  72 -27.696   2.648 -12.588
  562   2HH2  ARG  72          HH22      ARG  72 -28.724   1.437 -13.278
  563    H    ASN  73           HN       ASN  73 -27.668   6.247  -6.099
  564    HA   ASN  73           HA       ASN  73 -28.796   7.095  -4.317
  565   1HB   ASN  73          HB2       ASN  73 -29.532   4.213  -3.698
  566   2HB   ASN  73          HB1       ASN  73 -30.355   5.655  -3.111
  567   1HD2  ASN  73          HD21      ASN  73 -30.117   6.996  -5.712
  568   2HD2  ASN  73          HD22      ASN  73 -31.302   6.255  -6.727
  569    H    GLY  74           HN       GLY  74 -26.178   6.981  -4.010
  570   1HA   GLY  74          HA2       GLY  74 -25.745   6.840  -1.290
  571   2HA   GLY  74          HA1       GLY  74 -25.222   5.299  -1.941
  572    H    GLN  75           HN       GLN  75 -23.258   6.330  -0.813
  573    HA   GLN  75           HA       GLN  75 -21.538   7.347  -2.915
  574   1HB   GLN  75          HB2       GLN  75 -22.440   9.403  -1.898
  575   2HB   GLN  75          HB1       GLN  75 -21.852   8.878  -0.325
  576   1HG   GLN  75          HG2       GLN  75 -19.542   8.846  -1.344
  577   2HG   GLN  75          HG1       GLN  75 -20.243   9.679  -2.730
  578   1HE2  GLN  75          HE21      GLN  75 -19.370   9.917   0.619
  579   2HE2  GLN  75          HE22      GLN  75 -19.524  11.633   0.749
  580    H    VAL  76           HN       VAL  76 -20.673   5.195  -2.593
  581    HA   VAL  76           HA       VAL  76 -19.702   4.125  -0.298
  582    HB   VAL  76           HB       VAL  76 -19.541   2.704  -2.085
  583   1HG1  VAL  76          HG11      VAL  76 -18.001   4.799  -3.589
  584   2HG1  VAL  76          HG12      VAL  76 -19.701   4.386  -3.810
  585   3HG1  VAL  76          HG13      VAL  76 -18.451   3.204  -4.194
  586   1HG2  VAL  76          HG21      VAL  76 -17.601   2.350  -0.755
  587   2HG2  VAL  76          HG22      VAL  76 -16.743   3.668  -1.553
  588   3HG2  VAL  76          HG23      VAL  76 -17.124   2.195  -2.446
  589    H    GLU  77           HN       GLU  77 -18.142   4.701   1.152
  590    HA   GLU  77           HA       GLU  77 -16.702   7.123   0.853
  591   1HB   GLU  77          HB2       GLU  77 -17.395   6.210   3.045
  592   2HB   GLU  77          HB1       GLU  77 -16.223   4.912   2.855
  593   1HG   GLU  77          HG2       GLU  77 -15.158   6.466   4.230
  594   2HG   GLU  77          HG1       GLU  77 -14.475   6.747   2.631
  595    H    ILE  78           HN       ILE  78 -15.220   7.233  -0.770
  596    HA   ILE  78           HA       ILE  78 -12.876   5.500  -0.492
  597    HB   ILE  78           HB       ILE  78 -13.936   6.111  -3.240
  598   1HG1  ILE  78          HG12      ILE  78 -15.451   4.606  -1.740
  599   2HG1  ILE  78          HG11      ILE  78 -15.056   4.076  -3.370
  600   1HG2  ILE  78          HG21      ILE  78 -11.653   5.633  -3.335
  601   2HG2  ILE  78          HG22      ILE  78 -12.417   4.088  -3.709
  602   3HG2  ILE  78          HG23      ILE  78 -11.764   4.383  -2.094
  603   1HD1  ILE  78          HD11      ILE  78 -14.926   2.280  -1.690
  604   2HD1  ILE  78          HD12      ILE  78 -13.624   3.160  -0.890
  605   3HD1  ILE  78          HD13      ILE  78 -13.400   2.553  -2.532
  606    H    LYS  79           HN       LYS  79 -10.989   6.303  -1.597
  607    HA   LYS  79           HA       LYS  79 -10.728   8.834  -2.768
  608   1HB   LYS  79          HB2       LYS  79  -9.664  10.065  -0.916
  609   2HB   LYS  79          HB1       LYS  79 -11.344   9.698  -0.554
  610   1HG   LYS  79          HG2       LYS  79  -9.022   8.069   0.456
  611   2HG   LYS  79          HG1       LYS  79  -9.747   9.406   1.349
  612   1HD   LYS  79          HD2       LYS  79 -11.950   7.949   0.755
  613   2HD   LYS  79          HD1       LYS  79 -10.740   6.666   0.893
  614   1HE   LYS  79          HE2       LYS  79 -10.220   7.274   3.116
  615   2HE   LYS  79          HE1       LYS  79 -11.079   8.806   2.982
  616   1HZ   LYS  79          HZ1       LYS  79 -12.351   7.204   4.247
  617   2HZ   LYS  79          HZ2       LYS  79 -12.316   6.107   2.960
  618   3HZ   LYS  79          HZ3       LYS  79 -13.153   7.567   2.802
  619    H    THR  80           HN       THR  80  -9.574   6.188  -0.994
  620    HA   THR  80           HA       THR  80  -7.454   5.389  -2.512
  621    HB   THR  80           HB       THR  80  -6.515   7.671  -1.756
  622    HG1  THR  80           HG1      THR  80  -5.318   5.621  -2.462
  623   1HG2  THR  80          HG21      THR  80  -5.373   7.402   0.521
  624   2HG2  THR  80          HG22      THR  80  -6.532   6.090   0.783
  625   3HG2  THR  80          HG23      THR  80  -7.107   7.736   0.499
  626    H    ASP  81           HN       ASP  81  -9.084   5.845   0.370
  627    HA   ASP  81           HA       ASP  81  -8.029   4.290   2.293
  628   1HB   ASP  81          HB2       ASP  81 -10.115   5.545   2.515
  629   2HB   ASP  81          HB1       ASP  81 -10.942   4.348   1.526
  630    H    LEU  82           HN       LEU  82  -9.228   3.209  -0.717
  631    HA   LEU  82           HA       LEU  82  -9.914   0.588  -0.094
  632   1HB   LEU  82          HB2       LEU  82  -8.964   1.886  -2.627
  633   2HB   LEU  82          HB1       LEU  82  -9.390   0.187  -2.562
  634    HG   LEU  82           HG       LEU  82 -11.276   2.444  -1.885
  635   1HD1  LEU  82          HD11      LEU  82 -12.335   1.943  -4.033
  636   2HD1  LEU  82          HD12      LEU  82 -11.057   0.780  -4.391
  637   3HD1  LEU  82          HD13      LEU  82 -10.673   2.495  -4.244
  638   1HD2  LEU  82          HD21      LEU  82 -11.688  -0.520  -2.237
  639   2HD2  LEU  82          HD22      LEU  82 -12.981   0.667  -2.064
  640   3HD2  LEU  82          HD23      LEU  82 -11.844   0.401  -0.741
  641    H    SER  83           HN       SER  83  -7.177   1.596   0.902
  642    HA   SER  83           HA       SER  83  -5.325  -0.205  -0.371
  643   1HB   SER  83          HB2       SER  83  -3.781   0.496   1.455
  644   2HB   SER  83          HB1       SER  83  -4.480   1.870   0.600
  645    HG   SER  83           HG       SER  83  -5.659   2.371   2.322
  646    H    PHE  84           HN       PHE  84  -4.988  -2.294   0.152
  647    HA   PHE  84           HA       PHE  84  -6.664  -3.852   1.622
  648   1HB   PHE  84          HB2       PHE  84  -4.971  -4.780   0.139
  649   2HB   PHE  84          HB1       PHE  84  -3.692  -4.243   1.218
  650    HD1  PHE  84           HD1      PHE  84  -5.873  -6.901   0.348
  651    HD2  PHE  84           HD2      PHE  84  -3.641  -5.260   3.580
  652    HE1  PHE  84           HE1      PHE  84  -5.934  -9.077   1.494
  653    HE2  PHE  84           HE2      PHE  84  -3.703  -7.432   4.731
  654    HZ   PHE  84           HZ       PHE  84  -4.849  -9.344   3.688
  655    H    GLY  85           HN       GLY  85  -6.844  -4.585   3.730
  656   1HA   GLY  85          HA2       GLY  85  -6.223  -4.823   5.983
  657   2HA   GLY  85          HA1       GLY  85  -4.925  -3.667   5.725
  658    H    SER  86           HN       SER  86  -8.391  -3.339   5.004
  659    HA   SER  86           HA       SER  86  -8.902  -1.631   7.234
  660   1HB   SER  86          HB2       SER  86  -8.600  -0.370   4.511
  661   2HB   SER  86          HB1       SER  86  -9.336   0.428   5.900
  662    HG   SER  86           HG       SER  86  -7.103   0.943   5.625
  663    H    GLN  87           HN       GLN  87 -10.663  -0.182   5.075
  664    HA   GLN  87           HA       GLN  87 -12.571  -1.908   4.077
  665   1HB   GLN  87          HB2       GLN  87 -13.747  -2.643   5.829
  666   2HB   GLN  87          HB1       GLN  87 -12.701  -1.754   6.924
  667   1HG   GLN  87          HG2       GLN  87 -15.127  -0.598   5.569
  668   2HG   GLN  87          HG1       GLN  87 -15.104  -1.254   7.205
  669   1HE2  GLN  87          HE21      GLN  87 -15.603   1.467   6.080
  670   2HE2  GLN  87          HE22      GLN  87 -14.549   2.512   6.965
  671    H    ILE  88           HN       ILE  88 -14.499  -0.807   3.320
  672    HA   ILE  88           HA       ILE  88 -14.258   2.131   3.382
  673    HB   ILE  88           HB       ILE  88 -15.248   2.080   1.059
  674   1HG1  ILE  88          HG12      ILE  88 -14.236  -0.767   1.033
  675   2HG1  ILE  88          HG11      ILE  88 -15.933  -0.365   1.283
  676   1HG2  ILE  88          HG21      ILE  88 -13.082   1.734  -0.001
  677   2HG2  ILE  88          HG22      ILE  88 -12.503   0.893   1.437
  678   3HG2  ILE  88          HG23      ILE  88 -12.907   2.607   1.522
  679   1HD1  ILE  88          HD11      ILE  88 -14.296   0.299  -1.150
  680   2HD1  ILE  88          HD12      ILE  88 -15.986   0.735  -0.898
  681   3HD1  ILE  88          HD13      ILE  88 -15.522  -0.961  -1.020
  682    H    GLU  89           HN       GLU  89 -15.909   2.923   4.492
  683    HA   GLU  89           HA       GLU  89 -18.363   1.519   4.835
  684   1HB   GLU  89          HB2       GLU  89 -17.296   3.224   6.431
  685   2HB   GLU  89          HB1       GLU  89 -17.957   4.458   5.367
  686   1HG   GLU  89          HG2       GLU  89 -20.201   3.663   5.779
  687   2HG   GLU  89          HG1       GLU  89 -19.577   2.343   6.768
  688    H    PHE  90           HN       PHE  90 -20.490   2.814   4.391
  689    HA   PHE  90           HA       PHE  90 -20.361   4.010   1.709
  690   1HB   PHE  90          HB2       PHE  90 -22.341   1.927   2.654
  691   2HB   PHE  90          HB1       PHE  90 -22.443   2.787   1.123
  692    HD1  PHE  90           HD1      PHE  90 -20.805   2.351  -0.664
  693    HD2  PHE  90           HD2      PHE  90 -20.795   0.142   2.983
  694    HE1  PHE  90           HE1      PHE  90 -19.394   0.635  -1.711
  695    HE2  PHE  90           HE2      PHE  90 -19.381  -1.577   1.937
  696    HZ   PHE  90           HZ       PHE  90 -18.679  -1.334  -0.411
  697    H    SER  91           HN       SER  91 -22.897   4.731   1.269
  698    HA   SER  91           HA       SER  91 -24.131   5.859   3.602
  699   1HB   SER  91          HB2       SER  91 -23.948   8.226   2.685
  700   2HB   SER  91          HB1       SER  91 -22.503   7.559   3.448
  701    HG   SER  91           HG       SER  91 -22.103   6.874   1.079
  702    H    CYS  92           HN       CYS  92 -26.123   5.263   3.138
  703    HA   CYS  92           HA       CYS  92 -27.120   5.444   0.415
  704   1HB   CYS  92          HB2       CYS  92 -28.386   4.473   2.977
  705   2HB   CYS  92          HB1       CYS  92 -29.277   4.605   1.465
  706    H    SER  93           HN       SER  93 -28.123   7.132  -0.401
  707    HA   SER  93           HA       SER  93 -28.214   9.615   0.690
  708   1HB   SER  93          HB2       SER  93 -29.931   8.374  -1.444
  709   2HB   SER  93          HB1       SER  93 -30.043  10.085  -1.024
  710    HG   SER  93           HG       SER  93 -28.175  10.439  -1.961
  711    H    GLU  94           HN       GLU  94 -30.371  10.915   0.642
  712    HA   GLU  94           HA       GLU  94 -31.585  10.856   3.053
  713   1HB   GLU  94          HB2       GLU  94 -31.850  12.713   1.573
  714   2HB   GLU  94          HB1       GLU  94 -32.723  11.727   0.410
  715   1HG   GLU  94          HG2       GLU  94 -34.594  11.533   1.877
  716   2HG   GLU  94          HG1       GLU  94 -33.712  12.324   3.183
  717    H    GLY  95           HN       GLY  95 -33.614   9.858   0.318
  718   1HA   GLY  95          HA2       GLY  95 -35.415   8.532   2.080
  719   2HA   GLY  95          HA1       GLY  95 -35.478   8.538   0.331
  720    H    PHE  96           HN       PHE  96 -32.572   7.374   1.882
  721    HA   PHE  96           HA       PHE  96 -33.496   4.605   1.869
  722   1HB   PHE  96          HB2       PHE  96 -31.135   5.439   0.167
  723   2HB   PHE  96          HB1       PHE  96 -31.846   3.835   0.291
  724    HD1  PHE  96           HD1      PHE  96 -31.970   7.039  -1.348
  725    HD2  PHE  96           HD2      PHE  96 -34.092   3.412  -0.688
  726    HE1  PHE  96           HE1      PHE  96 -33.411   7.535  -3.279
  727    HE2  PHE  96           HE2      PHE  96 -35.541   3.902  -2.612
  728    HZ   PHE  96           HZ       PHE  96 -35.198   5.966  -3.915
  729    H    PHE  97           HN       PHE  97 -32.258   3.207   3.052
  730    HA   PHE  97           HA       PHE  97 -30.021   4.428   4.522
  731   1HB   PHE  97          HB2       PHE  97 -30.582   3.131   6.455
  732   2HB   PHE  97          HB1       PHE  97 -32.050   3.930   5.912
  733    HD1  PHE  97           HD1      PHE  97 -33.553   2.493   4.296
  734    HD2  PHE  97           HD2      PHE  97 -30.670   0.909   6.994
  735    HE1  PHE  97           HE1      PHE  97 -34.737   0.336   4.288
  736    HE2  PHE  97           HE2      PHE  97 -31.847  -1.252   6.992
  737    HZ   PHE  97           HZ       PHE  97 -33.885  -1.540   5.638
  738    H    LEU  98           HN       LEU  98 -28.526   2.737   5.438
  739    HA   LEU  98           HA       LEU  98 -27.541   1.206   3.195
  740   1HB   LEU  98          HB2       LEU  98 -26.187   2.618   4.857
  741   2HB   LEU  98          HB1       LEU  98 -26.378   1.281   5.971
  742    HG   LEU  98           HG       LEU  98 -24.203   1.279   4.798
  743   1HD1  LEU  98          HD11      LEU  98 -24.217  -1.073   4.149
  744   2HD1  LEU  98          HD12      LEU  98 -25.980  -1.055   4.125
  745   3HD1  LEU  98          HD13      LEU  98 -25.117  -0.809   5.642
  746   1HD2  LEU  98          HD21      LEU  98 -25.871   0.807   2.341
  747   2HD2  LEU  98          HD22      LEU  98 -24.118   0.651   2.436
  748   3HD2  LEU  98          HD23      LEU  98 -24.877   2.224   2.682
  749    H    ILE  99           HN       ILE  99 -27.592  -0.944   2.946
  750    HA   ILE  99           HA       ILE  99 -28.058  -2.781   5.145
  751    HB   ILE  99           HB       ILE  99 -29.788  -3.450   2.905
  752   1HG1  ILE  99          HG12      ILE  99 -30.656  -1.102   4.573
  753   2HG1  ILE  99          HG11      ILE  99 -29.951  -0.930   2.970
  754   1HG2  ILE  99          HG21      ILE  99 -30.271  -3.163   5.863
  755   2HG2  ILE  99          HG22      ILE  99 -29.809  -4.636   5.008
  756   3HG2  ILE  99          HG23      ILE  99 -31.384  -3.900   4.709
  757   1HD1  ILE  99          HD11      ILE  99 -31.768  -2.214   2.008
  758   2HD1  ILE  99          HD12      ILE  99 -32.387  -0.829   2.909
  759   3HD1  ILE  99          HD13      ILE  99 -32.470  -2.446   3.610
  760    H    GLY 100           HN       GLY 100 -26.274  -3.884   4.772
  761   1HA   GLY 100          HA2       GLY 100 -25.806  -5.959   3.279
  762   2HA   GLY 100          HA1       GLY 100 -25.592  -4.723   2.050
  763    H    SER 101           HN       SER 101 -24.644  -4.943   5.434
  764    HA   SER 101           HA       SER 101 -22.655  -4.680   6.493
  765   1HB   SER 101          HB2       SER 101 -21.681  -5.657   3.812
  766   2HB   SER 101          HB1       SER 101 -20.581  -5.329   5.151
  767    HG   SER 101           HG       SER 101 -21.257  -7.078   6.139
  768    H    THR 102           HN       THR 102 -22.611  -2.527   6.933
  769    HA   THR 102           HA       THR 102 -22.295  -0.482   5.020
  770    HB   THR 102           HB       THR 102 -22.037   1.038   6.859
  771    HG1  THR 102           HG1      THR 102 -21.800  -1.080   8.709
  772   1HG2  THR 102          HG21      THR 102 -24.289   0.200   6.664
  773   2HG2  THR 102          HG22      THR 102 -23.893   0.358   8.376
  774   3HG2  THR 102          HG23      THR 102 -23.882  -1.231   7.611
  775    H    THR 103           HN       THR 103 -20.127  -2.723   6.162
  776    HA   THR 103           HA       THR 103 -17.861  -0.976   5.500
  777    HB   THR 103           HB       THR 103 -16.480  -2.445   6.882
  778    HG1  THR 103           HG1      THR 103 -18.950  -3.675   7.583
  779   1HG2  THR 103          HG21      THR 103 -17.397  -0.449   7.894
  780   2HG2  THR 103          HG22      THR 103 -17.376  -1.755   9.079
  781   3HG2  THR 103          HG23      THR 103 -18.887  -1.306   8.286
  782    H    SER 104           HN       SER 104 -16.128  -1.927   4.317
  783    HA   SER 104           HA       SER 104 -16.553  -4.538   3.130
  784   1HB   SER 104          HB2       SER 104 -16.309  -1.982   1.515
  785   2HB   SER 104          HB1       SER 104 -16.078  -3.594   0.839
  786    HG   SER 104           HG       SER 104 -18.156  -3.804   0.746
  787    H    ARG 105           HN       ARG 105 -14.701  -5.530   3.553
  788    HA   ARG 105           HA       ARG 105 -12.252  -3.976   3.948
  789   1HB   ARG 105          HB2       ARG 105 -12.811  -6.907   4.450
  790   2HB   ARG 105          HB1       ARG 105 -11.337  -6.056   4.888
  791   1HG   ARG 105          HG2       ARG 105 -12.693  -4.574   6.352
  792   2HG   ARG 105          HG1       ARG 105 -14.096  -5.583   5.992
  793   1HD   ARG 105          HD2       ARG 105 -12.990  -7.517   6.951
  794   2HD   ARG 105          HD1       ARG 105 -11.535  -6.566   7.245
  795    HE   ARG 105           HE       ARG 105 -13.794  -5.402   8.513
  796   1HH1  ARG 105          HH11      ARG 105 -11.501  -8.009   8.794
  797   2HH1  ARG 105          HH12      ARG 105 -11.631  -8.110  10.517
  798   1HH2  ARG 105          HH21      ARG 105 -13.971  -5.526  10.783
  799   2HH2  ARG 105          HH22      ARG 105 -13.035  -6.699  11.648
  800    H    CYS 106           HN       CYS 106 -10.318  -4.393   2.888
  801    HA   CYS 106           HA       CYS 106 -10.661  -5.553   0.235
  802   1HB   CYS 106          HB2       CYS 106  -9.762  -3.211   0.514
  803   2HB   CYS 106          HB1       CYS 106  -8.336  -3.913   1.271
  804    H    GLU 107           HN       GLU 107 -10.028  -7.596  -0.022
  805    HA   GLU 107           HA       GLU 107  -7.839  -8.599   1.664
  806   1HB   GLU 107          HB2       GLU 107 -10.132  -9.518   2.120
  807   2HB   GLU 107          HB1       GLU 107 -10.111 -10.210   0.502
  808   1HG   GLU 107          HG2       GLU 107  -9.529 -11.891   2.119
  809   2HG   GLU 107          HG1       GLU 107  -8.136 -11.533   1.101
  810    H    VAL 108           HN       VAL 108  -6.753 -10.522   0.698
  811    HA   VAL 108           HA       VAL 108  -6.601 -10.373  -2.231
  812    HB   VAL 108           HB       VAL 108  -4.285 -10.070  -0.344
  813   1HG1  VAL 108          HG11      VAL 108  -3.981 -10.543  -3.296
  814   2HG1  VAL 108          HG12      VAL 108  -3.888 -11.858  -2.123
  815   3HG1  VAL 108          HG13      VAL 108  -2.731 -10.529  -2.052
  816   1HG2  VAL 108          HG21      VAL 108  -3.799  -8.109  -1.635
  817   2HG2  VAL 108          HG22      VAL 108  -5.501  -8.060  -1.171
  818   3HG2  VAL 108          HG23      VAL 108  -5.044  -8.520  -2.814
  819    H    GLN 109           HN       GLN 109  -6.631 -12.220  -3.191
  820    HA   GLN 109           HA       GLN 109  -5.605 -14.608  -1.826
  821   1HB   GLN 109          HB2       GLN 109  -7.549 -15.890  -2.692
  822   2HB   GLN 109          HB1       GLN 109  -8.006 -14.645  -1.535
  823   1HG   GLN 109          HG2       GLN 109  -8.594 -13.170  -3.441
  824   2HG   GLN 109          HG1       GLN 109  -8.276 -14.522  -4.527
  825   1HE2  GLN 109          HE21      GLN 109 -10.435 -13.181  -2.170
  826   2HE2  GLN 109          HE22      GLN 109 -11.722 -14.308  -2.408
  827    H    ASP 110           HN       ASP 110  -4.614 -12.834  -3.912
  828    HA   ASP 110           HA       ASP 110  -3.520 -14.748  -5.666
  829   1HB   ASP 110          HB2       ASP 110  -5.823 -13.115  -6.660
  830   2HB   ASP 110          HB1       ASP 110  -4.495 -13.465  -7.759
  831    H    ARG 111           HN       ARG 111  -2.958 -12.979  -7.830
  832    HA   ARG 111           HA       ARG 111  -1.166 -11.138  -6.457
  833   1HB   ARG 111          HB2       ARG 111   0.087 -11.078  -8.579
  834   2HB   ARG 111          HB1       ARG 111  -0.081 -12.714  -7.953
  835   1HG   ARG 111          HG2       ARG 111  -1.992 -13.042  -9.514
  836   2HG   ARG 111          HG1       ARG 111  -1.621 -11.464 -10.213
  837   1HD   ARG 111          HD2       ARG 111   0.226 -13.845 -10.107
  838   2HD   ARG 111          HD1       ARG 111  -0.625 -13.251 -11.532
  839    HE   ARG 111           HE       ARG 111   1.012 -11.240 -10.346
  840   1HH1  ARG 111          HH11      ARG 111   1.066 -14.039 -12.420
  841   2HH1  ARG 111          HH12      ARG 111   2.491 -13.542 -13.269
  842   1HH2  ARG 111          HH21      ARG 111   2.892 -10.579 -11.456
  843   2HH2  ARG 111          HH22      ARG 111   3.531 -11.578 -12.720
  844    H    GLY 112           HN       GLY 112  -4.121 -10.802  -7.230
  845   1HA   GLY 112          HA2       GLY 112  -3.758  -8.106  -8.321
  846   2HA   GLY 112          HA1       GLY 112  -4.888  -9.185  -9.122
  847    H    VAL 113           HN       VAL 113  -4.591  -9.477  -5.729
  848    HA   VAL 113           HA       VAL 113  -5.948  -8.968  -3.975
  849    HB   VAL 113           HB       VAL 113  -7.161  -6.684  -5.460
  850   1HG1  VAL 113          HG11      VAL 113  -6.399  -5.770  -3.036
  851   2HG1  VAL 113          HG12      VAL 113  -6.694  -7.474  -2.675
  852   3HG1  VAL 113          HG13      VAL 113  -7.975  -6.487  -3.379
  853   1HG2  VAL 113          HG21      VAL 113  -5.134  -5.341  -4.800
  854   2HG2  VAL 113          HG22      VAL 113  -4.865  -6.499  -6.102
  855   3HG2  VAL 113          HG23      VAL 113  -4.320  -6.871  -4.465
  856    H    GLY 114           HN       GLY 114  -7.980  -9.433  -3.205
  857   1HA   GLY 114          HA2       GLY 114  -9.959 -10.052  -5.292
  858   2HA   GLY 114          HA1       GLY 114  -9.522 -11.273  -4.124
  859    H    TRP 115           HN       TRP 115 -11.161  -8.173  -4.517
  860    HA   TRP 115           HA       TRP 115 -12.131  -7.552  -2.117
  861   1HB   TRP 115          HB2       TRP 115 -13.250  -7.413  -4.824
  862   2HB   TRP 115          HB1       TRP 115 -14.467  -7.395  -3.556
  863    HD1  TRP 115           HD1      TRP 115 -12.365  -5.097  -5.459
  864    HE1  TRP 115           HE1      TRP 115 -12.248  -2.789  -4.312
  865    HE3  TRP 115           HE3      TRP 115 -14.249  -6.361  -0.878
  866    HZ2  TRP 115           HZ2      TRP 115 -12.853  -1.672  -1.812
  867    HZ3  TRP 115           HZ3      TRP 115 -14.447  -4.608   0.837
  868    HH2  TRP 115           HH2      TRP 115 -13.764  -2.310   0.378
  869    H    SER 116           HN       SER 116 -14.012  -8.016  -0.859
  870    HA   SER 116           HA       SER 116 -14.810 -10.842  -1.030
  871   1HB   SER 116          HB2       SER 116 -14.746  -8.987   1.363
  872   2HB   SER 116          HB1       SER 116 -15.304 -10.659   1.396
  873    HG   SER 116           HG       SER 116 -12.813 -10.307   0.282
  874    H    HIS 117           HN       HIS 117 -15.957  -7.549  -0.842
  875    HA   HIS 117           HA       HIS 117 -18.543  -8.286  -1.807
  876   1HB   HIS 117          HB2       HIS 117 -18.776  -8.806   0.624
  877   2HB   HIS 117          HB1       HIS 117 -18.424  -7.119   0.981
  878    HD1  HIS 117           HD1      HIS 117 -20.990  -9.113  -0.999
  879    HD2  HIS 117           HD2      HIS 117 -20.634  -5.566   1.136
  880    HE1  HIS 117           HE1      HIS 117 -23.300  -8.121  -0.955
  881    HE2  HIS 117           HE2      HIS 117 -23.077  -6.019   0.415
  882    HA   PRO 118           HA       PRO 118 -17.998  -4.008  -2.965
  883   1HB   PRO 118          HB2       PRO 118 -19.682  -4.050  -5.054
  884   2HB   PRO 118          HB1       PRO 118 -18.136  -4.903  -5.090
  885   1HG   PRO 118          HG2       PRO 118 -20.869  -5.982  -4.902
  886   2HG   PRO 118          HG1       PRO 118 -19.381  -6.779  -5.432
  887   1HD   PRO 118          HD2       PRO 118 -20.666  -6.894  -2.845
  888   2HD   PRO 118          HD1       PRO 118 -19.244  -7.792  -3.413
  889    H    LEU 119           HN       LEU 119 -20.247  -2.735  -4.262
  890    HA   LEU 119           HA       LEU 119 -21.401  -1.271  -2.324
  891   1HB   LEU 119          HB2       LEU 119 -23.071  -2.110  -4.663
  892   2HB   LEU 119          HB1       LEU 119 -22.970  -0.554  -3.877
  893    HG   LEU 119           HG       LEU 119 -21.933  -0.181  -5.906
  894   1HD1  LEU 119          HD11      LEU 119 -19.520   0.053  -5.438
  895   2HD1  LEU 119          HD12      LEU 119 -19.753  -0.879  -3.958
  896   3HD1  LEU 119          HD13      LEU 119 -20.553   0.682  -4.155
  897   1HD2  LEU 119          HD21      LEU 119 -20.436  -1.653  -7.034
  898   2HD2  LEU 119          HD22      LEU 119 -21.863  -2.574  -6.556
  899   3HD2  LEU 119          HD23      LEU 119 -20.366  -2.730  -5.640
  900    HA   PRO 120           HA       PRO 120 -24.298  -3.927  -0.252
  901   1HB   PRO 120          HB2       PRO 120 -25.451  -1.726   1.126
  902   2HB   PRO 120          HB1       PRO 120 -24.156  -2.780   1.691
  903   1HG   PRO 120          HG2       PRO 120 -23.894  -0.075   1.091
  904   2HG   PRO 120          HG1       PRO 120 -22.562  -1.233   1.232
  905   1HD   PRO 120          HD2       PRO 120 -23.914  -0.186  -1.214
  906   2HD   PRO 120          HD1       PRO 120 -22.203  -0.586  -0.949
  907    H    GLN 121           HN       GLN 121 -26.707  -2.194   0.672
  908    HA   GLN 121           HA       GLN 121 -28.191  -2.081  -1.855
  909   1HB   GLN 121          HB2       GLN 121 -28.477  -4.327  -0.599
  910   2HB   GLN 121          HB1       GLN 121 -29.415  -3.396   0.556
  911   1HG   GLN 121          HG2       GLN 121 -30.963  -2.733  -1.184
  912   2HG   GLN 121          HG1       GLN 121 -30.009  -3.602  -2.386
  913   1HE2  GLN 121          HE21      GLN 121 -32.217  -3.884   0.276
  914   2HE2  GLN 121          HE22      GLN 121 -32.593  -5.555   0.052
  915    H    CYS 122           HN       CYS 122 -29.020  -0.077  -1.971
  916    HA   CYS 122           HA       CYS 122 -29.734   1.261   0.543
  917   1HB   CYS 122          HB2       CYS 122 -29.251   2.329  -2.245
  918   2HB   CYS 122          HB1       CYS 122 -29.926   3.311  -0.948
  919    H    GLU 123           HN       GLU 123 -31.777   0.842   1.141
  920    HA   GLU 123           HA       GLU 123 -33.892   0.888  -0.922
  921   1HB   GLU 123          HB2       GLU 123 -33.828  -0.735   1.627
  922   2HB   GLU 123          HB1       GLU 123 -35.124  -0.712   0.438
  923   1HG   GLU 123          HG2       GLU 123 -32.328  -1.737   0.018
  924   2HG   GLU 123          HG1       GLU 123 -33.790  -2.705   0.196
  925    H    ILE 124           HN       ILE 124 -35.757   1.886  -0.451
  926    HA   ILE 124           HA       ILE 124 -35.579   4.180   1.176
  927    HB   ILE 124           HB       ILE 124 -36.994   3.945  -0.882
  928   1HG1  ILE 124          HG12      ILE 124 -38.492   4.866   1.576
  929   2HG1  ILE 124          HG11      ILE 124 -37.228   5.796   0.784
  930   1HG2  ILE 124          HG21      ILE 124 -39.242   2.998  -0.633
  931   2HG2  ILE 124          HG22      ILE 124 -38.831   2.461   0.996
  932   3HG2  ILE 124          HG23      ILE 124 -37.989   1.779  -0.396
  933   1HD1  ILE 124          HD11      ILE 124 -39.386   6.608   0.113
  934   2HD1  ILE 124          HD12      ILE 124 -39.869   4.993  -0.403
  935   3HD1  ILE 124          HD13      ILE 124 -38.588   5.847  -1.264
  936    H    LEU 125           HN       LEU 125 -36.599   4.737   3.079
  937    HA   LEU 125           HA       LEU 125 -36.916   2.630   4.978
  938   1HB   LEU 125          HB2       LEU 125 -37.448   5.593   5.185
  939   2HB   LEU 125          HB1       LEU 125 -37.509   4.480   6.538
  940    HG   LEU 125           HG       LEU 125 -35.018   4.812   4.881
  941   1HD1  LEU 125          HD11      LEU 125 -35.694   6.326   7.398
  942   2HD1  LEU 125          HD12      LEU 125 -35.743   7.013   5.774
  943   3HD1  LEU 125          HD13      LEU 125 -34.213   6.443   6.446
  944   1HD2  LEU 125          HD21      LEU 125 -33.927   3.937   6.862
  945   2HD2  LEU 125          HD22      LEU 125 -35.196   2.834   6.327
  946   3HD2  LEU 125          HD23      LEU 125 -35.469   3.888   7.715
  947    H    GLU 126           HN       GLU 126 -39.147   4.970   3.492
  948    HA   GLU 126           HA       GLU 126 -41.337   3.094   3.939
  949   1HB   GLU 126          HB2       GLU 126 -41.401   5.970   4.871
  950   2HB   GLU 126          HB1       GLU 126 -42.802   4.910   4.803
  951   1HG   GLU 126          HG2       GLU 126 -41.722   3.404   6.413
  952   2HG   GLU 126          HG1       GLU 126 -40.352   4.510   6.505
  953    H    HIS 127           HN       HIS 127 -41.612   6.509   3.130
  954    HA   HIS 127           HA       HIS 127 -42.004   5.846   0.306
  955   1HB   HIS 127          HB2       HIS 127 -44.009   7.271   2.061
  956   2HB   HIS 127          HB1       HIS 127 -44.058   7.323   0.302
  957    HD1  HIS 127           HD1      HIS 127 -45.050   5.335  -0.899
  958    HD2  HIS 127           HD2      HIS 127 -44.584   4.701   3.181
  959    HE1  HIS 127           HE1      HIS 127 -46.269   3.191  -0.408
  960    HE2  HIS 127           HE2      HIS 127 -45.882   2.773   2.046
  961    H    HIS 128           HN       HIS 128 -41.987   7.743  -1.100
  962    HA   HIS 128           HA       HIS 128 -41.027  10.233   0.029
  963   1HB   HIS 128          HB2       HIS 128 -38.971   8.869  -0.215
  964   2HB   HIS 128          HB1       HIS 128 -39.319   8.685  -1.931
  965    HD1  HIS 128           HD1      HIS 128 -38.505  10.495  -3.458
  966    HD2  HIS 128           HD2      HIS 128 -38.358  11.604   0.544
  967    HE1  HIS 128           HE1      HIS 128 -37.286  12.694  -3.413
  968    HE2  HIS 128           HE2      HIS 128 -37.131  13.300  -0.973
  969    H    HIS 129           HN       HIS 129 -41.740   8.333  -2.865
  970    HA   HIS 129           HA       HIS 129 -42.152  10.672  -4.496
  971   1HB   HIS 129          HB2       HIS 129 -42.736   7.750  -5.015
  972   2HB   HIS 129          HB1       HIS 129 -42.916   9.032  -6.207
  973    HD1  HIS 129           HD1      HIS 129 -40.833   9.817  -7.406
  974    HD2  HIS 129           HD2      HIS 129 -40.027   7.170  -4.307
  975    HE1  HIS 129           HE1      HIS 129 -38.403   9.218  -7.649
  976    HE2  HIS 129           HE2      HIS 129 -37.962   7.544  -5.818
  977    H    HIS 130           HN       HIS 130 -44.044  11.615  -5.063
  978    HA   HIS 130           HA       HIS 130 -46.323  11.156  -3.391
  979   1HB   HIS 130          HB2       HIS 130 -45.784  13.418  -4.061
  980   2HB   HIS 130          HB1       HIS 130 -45.892  12.983  -5.764
  981    HD1  HIS 130           HD1      HIS 130 -47.965  13.913  -2.824
  982    HD2  HIS 130           HD2      HIS 130 -48.524  12.697  -6.757
  983    HE1  HIS 130           HE1      HIS 130 -50.381  14.386  -3.337
  984    HE2  HIS 130           HE2      HIS 130 -50.685  13.686  -5.738
  985    H    HIS 131           HN       HIS 131 -45.465  10.472  -6.732
  986    HA   HIS 131           HA       HIS 131 -48.038   9.639  -7.579
  987   1HB   HIS 131          HB2       HIS 131 -45.336   8.844  -8.683
  988   2HB   HIS 131          HB1       HIS 131 -46.882   8.686  -9.509
  989    HD1  HIS 131           HD1      HIS 131 -47.689  10.669 -10.814
  990    HD2  HIS 131           HD2      HIS 131 -44.497  11.592  -8.320
  991    HE1  HIS 131           HE1      HIS 131 -47.012  13.011 -11.430
  992    HE2  HIS 131           HE2      HIS 131 -45.129  13.576  -9.853
  993    H    HIS 132           HN       HIS 132 -45.172   7.552  -7.253
  994    HA   HIS 132           HA       HIS 132 -46.902   5.506  -6.031
  995   1HB   HIS 132          HB2       HIS 132 -44.746   5.086  -8.110
  996   2HB   HIS 132          HB1       HIS 132 -45.572   3.790  -7.251
  997    HD1  HIS 132           HD1      HIS 132 -47.853   3.098  -8.091
  998    HD2  HIS 132           HD2      HIS 132 -46.395   6.505  -9.971
  999    HE1  HIS 132           HE1      HIS 132 -49.415   3.525 -10.013
 1000    HE2  HIS 132           HE2      HIS 132 -48.457   5.534 -11.193
  Start of MODEL   22
    1   1H    MET   0           HT1      MET   0  36.031  -2.542   0.293
    2   2H    MET   0           HT2      MET   0  34.851  -1.839   1.280
    3   3H    MET   0           HT3      MET   0  35.378  -1.033  -0.111
    4    HA   MET   0           HA       MET   0  34.478  -2.799  -1.495
    5   1HB   MET   0          HB2       MET   0  34.657  -4.579   0.212
    6   2HB   MET   0          HB1       MET   0  33.358  -3.823   1.123
    7   1HG   MET   0          HG2       MET   0  32.529  -5.711  -0.137
    8   2HG   MET   0          HG1       MET   0  31.828  -4.210  -0.741
    9   1HE   MET   0          HE1       MET   0  31.834  -7.056  -2.308
   10   2HE   MET   0          HE2       MET   0  32.138  -6.478  -3.946
   11   3HE   MET   0          HE3       MET   0  31.035  -5.597  -2.889
   12    H    ASN   1           HN       ASN   1  33.416  -1.076  -2.364
   13    HA   ASN   1           HA       ASN   1  31.061  -0.054  -0.937
   14   1HB   ASN   1          HB2       ASN   1  33.030   1.139  -2.766
   15   2HB   ASN   1          HB1       ASN   1  31.361   1.582  -3.115
   16   1HD2  ASN   1          HD21      ASN   1  30.166   2.686  -1.565
   17   2HD2  ASN   1          HD22      ASN   1  30.919   3.544  -0.270
   18    H    CYS   2           HN       CYS   2  29.052   0.119  -1.988
   19    HA   CYS   2           HA       CYS   2  28.679  -1.871  -4.092
   20   1HB   CYS   2          HB2       CYS   2  26.751  -0.468  -2.243
   21   2HB   CYS   2          HB1       CYS   2  26.225  -1.508  -3.564
   22    H    GLY   3           HN       GLY   3  26.927  -1.342  -5.728
   23   1HA   GLY   3          HA2       GLY   3  27.739   0.964  -7.201
   24   2HA   GLY   3          HA1       GLY   3  26.416  -0.117  -7.619
   25    HA   PRO   4           HA       PRO   4  25.147   4.273  -5.889
   26   1HB   PRO   4          HB2       PRO   4  24.022   4.288  -8.662
   27   2HB   PRO   4          HB1       PRO   4  24.638   5.633  -7.692
   28   1HG   PRO   4          HG2       PRO   4  26.134   4.616  -9.626
   29   2HG   PRO   4          HG1       PRO   4  26.865   5.049  -8.071
   30   1HD   PRO   4          HD2       PRO   4  26.172   2.351  -9.152
   31   2HD   PRO   4          HD1       PRO   4  27.557   2.848  -8.157
   32    HA   PRO   5           HA       PRO   5  21.500   2.112  -4.487
   33   1HB   PRO   5          HB2       PRO   5  20.618   4.960  -4.204
   34   2HB   PRO   5          HB1       PRO   5  20.463   3.618  -3.064
   35   1HG   PRO   5          HG2       PRO   5  22.359   5.456  -2.736
   36   2HG   PRO   5          HG1       PRO   5  22.687   3.743  -2.412
   37   1HD   PRO   5          HD2       PRO   5  23.565   5.442  -4.688
   38   2HD   PRO   5          HD1       PRO   5  24.368   4.046  -3.941
   39    HA   PRO   6           HA       PRO   6  19.002   2.463  -8.188
   40   1HB   PRO   6          HB2       PRO   6  17.426   0.257  -7.272
   41   2HB   PRO   6          HB1       PRO   6  18.718   0.235  -8.474
   42   1HG   PRO   6          HG2       PRO   6  18.832  -0.991  -5.997
   43   2HG   PRO   6          HG1       PRO   6  20.238  -0.555  -6.980
   44   1HD   PRO   6          HD2       PRO   6  19.054   0.860  -4.636
   45   2HD   PRO   6          HD1       PRO   6  20.759   0.666  -5.098
   46    H    THR   7           HN       THR   7  16.574   2.119  -8.572
   47    HA   THR   7           HA       THR   7  15.135   3.882  -6.715
   48    HB   THR   7           HB       THR   7  14.359   3.098  -9.534
   49    HG1  THR   7           HG1      THR   7  15.334   4.942 -10.187
   50   1HG2  THR   7          HG21      THR   7  12.492   3.801  -8.067
   51   2HG2  THR   7          HG22      THR   7  12.778   4.931  -9.390
   52   3HG2  THR   7          HG23      THR   7  13.336   5.320  -7.762
   53    H    LEU   8           HN       LEU   8  13.449   3.103  -5.530
   54    HA   LEU   8           HA       LEU   8  12.506   0.397  -6.187
   55   1HB   LEU   8          HB2       LEU   8  12.636   1.684  -3.466
   56   2HB   LEU   8          HB1       LEU   8  12.142   0.038  -3.816
   57    HG   LEU   8           HG       LEU   8  14.537  -0.162  -4.847
   58   1HD1  LEU   8          HD11      LEU   8  14.855   2.170  -2.972
   59   2HD1  LEU   8          HD12      LEU   8  15.172   2.148  -4.707
   60   3HD1  LEU   8          HD13      LEU   8  16.184   1.203  -3.614
   61   1HD2  LEU   8          HD21      LEU   8  13.787  -0.186  -1.946
   62   2HD2  LEU   8          HD22      LEU   8  15.407  -0.639  -2.477
   63   3HD2  LEU   8          HD23      LEU   8  14.006  -1.546  -3.048
   64    H    SER   9           HN       SER   9  10.405   0.137  -4.562
   65    HA   SER   9           HA       SER   9   8.571   2.337  -5.247
   66   1HB   SER   9          HB2       SER   9   8.233   0.528  -6.859
   67   2HB   SER   9          HB1       SER   9   8.013  -0.625  -5.543
   68    HG   SER   9           HG       SER   9   6.173   0.619  -4.908
   69    H    PHE  10           HN       PHE  10   9.100  -0.527  -3.234
   70    HA   PHE  10           HA       PHE  10   7.040   0.239  -1.372
   71   1HB   PHE  10          HB2       PHE  10   8.245  -1.669  -0.010
   72   2HB   PHE  10          HB1       PHE  10   7.218  -2.051  -1.387
   73    HD1  PHE  10           HD1      PHE  10  10.659  -1.858  -0.160
   74    HD2  PHE  10           HD2      PHE  10   8.153  -2.902  -3.435
   75    HE1  PHE  10           HE1      PHE  10  12.539  -3.043  -1.214
   76    HE2  PHE  10           HE2      PHE  10  10.028  -4.090  -4.496
   77    HZ   PHE  10           HZ       PHE  10  12.225  -4.162  -3.386
   78    H    ALA  11           HN       ALA  11   8.941   2.244  -1.751
   79    HA   ALA  11           HA       ALA  11   9.360   3.453   0.525
   80   1HB   ALA  11          HB1       ALA  11  11.567   2.883   1.434
   81   2HB   ALA  11          HB2       ALA  11  11.728   1.589   0.245
   82   3HB   ALA  11          HB3       ALA  11  10.485   1.492   1.493
   83    H    ALA  12           HN       ALA  12  10.590   5.286   0.368
   84    HA   ALA  12           HA       ALA  12  12.258   5.571  -2.039
   85   1HB   ALA  12          HB1       ALA  12  10.071   6.561  -2.486
   86   2HB   ALA  12          HB2       ALA  12  11.335   7.791  -2.425
   87   3HB   ALA  12          HB3       ALA  12  10.237   7.586  -1.058
   88    HA   PRO  13           HA       PRO  13  15.394   7.545   0.303
   89   1HB   PRO  13          HB2       PRO  13  15.620  10.081  -0.804
   90   2HB   PRO  13          HB1       PRO  13  16.398   8.623  -1.426
   91   1HG   PRO  13          HG2       PRO  13  13.906   9.981  -2.337
   92   2HG   PRO  13          HG1       PRO  13  15.155   9.163  -3.292
   93   1HD   PRO  13          HD2       PRO  13  12.773   8.024  -2.772
   94   2HD   PRO  13          HD1       PRO  13  14.258   7.067  -2.890
   95    H    MET  14           HN       MET  14  15.503   8.511   2.248
   96    HA   MET  14           HA       MET  14  13.802  10.799   2.830
   97   1HB   MET  14          HB2       MET  14  12.435   8.782   3.345
   98   2HB   MET  14          HB1       MET  14  13.660   8.289   4.506
   99   1HG   MET  14          HG2       MET  14  13.247  10.283   5.822
  100   2HG   MET  14          HG1       MET  14  12.067  10.839   4.638
  101   1HE   MET  14          HE1       MET  14  12.820   8.333   7.563
  102   2HE   MET  14          HE2       MET  14  12.773   7.277   6.151
  103   3HE   MET  14          HE3       MET  14  11.511   7.167   7.378
  104    H    ASP  15           HN       ASP  15  16.581   8.927   3.365
  105    HA   ASP  15           HA       ASP  15  17.731  11.003   5.006
  106   1HB   ASP  15          HB2       ASP  15  16.638   9.545   6.675
  107   2HB   ASP  15          HB1       ASP  15  17.565   8.176   6.071
  108    H    ILE  16           HN       ILE  16  18.933  11.113   3.005
  109    HA   ILE  16           HA       ILE  16  21.426   9.832   3.157
  110    HB   ILE  16           HB       ILE  16  20.468   7.895   2.269
  111   1HG1  ILE  16          HG12      ILE  16  21.524   9.416  -0.109
  112   2HG1  ILE  16          HG11      ILE  16  22.530   8.647   1.115
  113   1HG2  ILE  16          HG21      ILE  16  18.990   7.843   0.316
  114   2HG2  ILE  16          HG22      ILE  16  19.025   9.605   0.266
  115   3HG2  ILE  16          HG23      ILE  16  18.307   8.776   1.648
  116   1HD1  ILE  16          HD11      ILE  16  20.586   7.194  -0.662
  117   2HD1  ILE  16          HD12      ILE  16  21.731   6.476   0.472
  118   3HD1  ILE  16          HD13      ILE  16  22.321   7.331  -0.952
  119    H    THR  17           HN       THR  17  22.320  11.838   2.862
  120    HA   THR  17           HA       THR  17  21.560  13.740   0.980
  121    HB   THR  17           HB       THR  17  23.900  14.583   1.081
  122    HG1  THR  17           HG1      THR  17  24.383  12.459   2.908
  123   1HG2  THR  17          HG21      THR  17  22.189  15.158   2.813
  124   2HG2  THR  17          HG22      THR  17  23.853  15.240   3.392
  125   3HG2  THR  17          HG23      THR  17  22.840  13.859   3.813
  126    H    LEU  18           HN       LEU  18  21.446  13.545  -1.157
  127    HA   LEU  18           HA       LEU  18  22.752  11.396  -2.496
  128   1HB   LEU  18          HB2       LEU  18  20.783  13.491  -3.189
  129   2HB   LEU  18          HB1       LEU  18  21.740  12.859  -4.512
  130    HG   LEU  18           HG       LEU  18  19.667  11.640  -4.399
  131   1HD1  LEU  18          HD11      LEU  18  20.487   9.398  -4.270
  132   2HD1  LEU  18          HD12      LEU  18  21.827   9.894  -3.236
  133   3HD1  LEU  18          HD13      LEU  18  21.777  10.412  -4.921
  134   1HD2  LEU  18          HD21      LEU  18  20.391  10.855  -1.583
  135   2HD2  LEU  18          HD22      LEU  18  18.906  10.479  -2.460
  136   3HD2  LEU  18          HD23      LEU  18  19.253  12.141  -1.983
  137    H    THR  19           HN       THR  19  24.495  13.319  -1.278
  138    HA   THR  19           HA       THR  19  25.656  14.891  -3.414
  139    HB   THR  19           HB       THR  19  27.196  15.722  -1.766
  140    HG1  THR  19           HG1      THR  19  26.145  13.738  -0.003
  141   1HG2  THR  19          HG21      THR  19  24.425  15.383  -0.605
  142   2HG2  THR  19          HG22      THR  19  24.983  16.696  -1.645
  143   3HG2  THR  19          HG23      THR  19  25.630  16.529  -0.013
  144    H    GLU  20           HN       GLU  20  25.941  11.756  -2.160
  145    HA   GLU  20           HA       GLU  20  28.562  11.396  -3.451
  146   1HB   GLU  20          HB2       GLU  20  27.296   9.809  -1.212
  147   2HB   GLU  20          HB1       GLU  20  28.830   9.417  -1.978
  148   1HG   GLU  20          HG2       GLU  20  29.769  11.524  -1.205
  149   2HG   GLU  20          HG1       GLU  20  28.226  11.949  -0.465
  150    H    THR  21           HN       THR  21  28.800   8.912  -4.057
  151    HA   THR  21           HA       THR  21  26.321   8.013  -5.364
  152    HB   THR  21           HB       THR  21  28.947   7.761  -6.782
  153    HG1  THR  21           HG1      THR  21  27.722   9.783  -7.873
  154   1HG2  THR  21          HG21      THR  21  27.060   6.469  -7.615
  155   2HG2  THR  21          HG22      THR  21  27.484   7.738  -8.764
  156   3HG2  THR  21          HG23      THR  21  26.080   7.931  -7.715
  157    H    ARG  22           HN       ARG  22  28.865   7.304  -3.365
  158    HA   ARG  22           HA       ARG  22  28.565   4.412  -3.821
  159   1HB   ARG  22          HB2       ARG  22  31.056   5.938  -3.094
  160   2HB   ARG  22          HB1       ARG  22  30.911   4.192  -2.956
  161   1HG   ARG  22          HG2       ARG  22  30.490   4.042  -5.364
  162   2HG   ARG  22          HG1       ARG  22  30.664   5.794  -5.494
  163   1HD   ARG  22          HD2       ARG  22  32.791   3.876  -4.550
  164   2HD   ARG  22          HD1       ARG  22  32.719   4.628  -6.143
  165    HE   ARG  22           HE       ARG  22  32.682   6.701  -4.331
  166   1HH1  ARG  22          HH11      ARG  22  34.834   4.076  -5.126
  167   2HH1  ARG  22          HH12      ARG  22  36.263   4.939  -4.662
  168   1HH2  ARG  22          HH21      ARG  22  34.557   7.842  -3.718
  169   2HH2  ARG  22          HH22      ARG  22  36.105   7.078  -3.861
  170    H    PHE  23           HN       PHE  23  28.540   3.121  -1.909
  171    HA   PHE  23           HA       PHE  23  28.614   4.502   0.662
  172   1HB   PHE  23          HB2       PHE  23  26.234   2.861  -0.242
  173   2HB   PHE  23          HB1       PHE  23  26.441   3.592   1.347
  174    HD1  PHE  23           HD1      PHE  23  25.789   5.812   1.744
  175    HD2  PHE  23           HD2      PHE  23  26.088   4.379  -2.252
  176    HE1  PHE  23           HE1      PHE  23  24.751   7.887   0.922
  177    HE2  PHE  23           HE2      PHE  23  25.064   6.449  -3.078
  178    HZ   PHE  23           HZ       PHE  23  24.386   8.208  -1.490
  179    H    LYS  24           HN       LYS  24  30.007   3.381   1.831
  180    HA   LYS  24           HA       LYS  24  31.062   0.908   1.255
  181   1HB   LYS  24          HB2       LYS  24  31.747   0.858   3.701
  182   2HB   LYS  24          HB1       LYS  24  32.259   2.250   2.760
  183   1HG   LYS  24          HG2       LYS  24  30.357   3.529   3.693
  184   2HG   LYS  24          HG1       LYS  24  29.958   2.134   4.698
  185   1HD   LYS  24          HD2       LYS  24  32.317   2.280   5.606
  186   2HD   LYS  24          HD1       LYS  24  32.429   3.846   4.798
  187   1HE   LYS  24          HE2       LYS  24  30.533   4.667   6.078
  188   2HE   LYS  24          HE1       LYS  24  30.356   3.092   6.852
  189   1HZ   LYS  24          HZ1       LYS  24  31.523   4.665   8.271
  190   2HZ   LYS  24          HZ2       LYS  24  32.723   4.869   7.096
  191   3HZ   LYS  24          HZ3       LYS  24  32.529   3.370   7.855
  192    H    THR  25           HN       THR  25  31.083  -0.984   2.816
  193    HA   THR  25           HA       THR  25  28.555  -2.235   2.701
  194    HB   THR  25           HB       THR  25  29.801  -3.977   4.176
  195    HG1  THR  25           HG1      THR  25  32.199  -3.308   3.265
  196   1HG2  THR  25          HG21      THR  25  29.296  -4.261   1.784
  197   2HG2  THR  25          HG22      THR  25  30.884  -4.913   2.188
  198   3HG2  THR  25          HG23      THR  25  30.751  -3.351   1.378
  199    H    GLY  26           HN       GLY  26  29.842  -0.109   4.948
  200   1HA   GLY  26          HA2       GLY  26  28.196  -1.177   7.147
  201   2HA   GLY  26          HA1       GLY  26  29.496  -0.005   7.325
  202    H    THR  27           HN       THR  27  27.363   0.366   4.707
  203    HA   THR  27           HA       THR  27  26.256   2.795   5.925
  204    HB   THR  27           HB       THR  27  27.365   2.656   3.542
  205    HG1  THR  27           HG1      THR  27  25.651   4.281   4.702
  206   1HG2  THR  27          HG21      THR  27  26.020   2.041   1.762
  207   2HG2  THR  27          HG22      THR  27  24.530   2.205   2.697
  208   3HG2  THR  27          HG23      THR  27  25.595   0.823   2.966
  209    H    THR  28           HN       THR  28  24.000   3.249   5.840
  210    HA   THR  28           HA       THR  28  22.208   1.155   4.993
  211    HB   THR  28           HB       THR  28  22.346   1.962   7.905
  212    HG1  THR  28           HG1      THR  28  22.347  -0.693   7.392
  213   1HG2  THR  28          HG21      THR  28  20.021   1.758   7.155
  214   2HG2  THR  28          HG22      THR  28  20.456   0.441   8.244
  215   3HG2  THR  28          HG23      THR  28  20.368   0.155   6.506
  216    H    LEU  29           HN       LEU  29  20.569   2.060   4.031
  217    HA   LEU  29           HA       LEU  29  20.060   4.889   4.402
  218   1HB   LEU  29          HB2       LEU  29  18.841   2.906   2.478
  219   2HB   LEU  29          HB1       LEU  29  18.541   4.632   2.472
  220    HG   LEU  29           HG       LEU  29  21.041   4.929   2.077
  221   1HD1  LEU  29          HD11      LEU  29  20.848   2.000   1.388
  222   2HD1  LEU  29          HD12      LEU  29  21.704   2.666   2.779
  223   3HD1  LEU  29          HD13      LEU  29  22.246   3.048   1.144
  224   1HD2  LEU  29          HD21      LEU  29  19.219   5.107   0.351
  225   2HD2  LEU  29          HD22      LEU  29  19.589   3.441  -0.096
  226   3HD2  LEU  29          HD23      LEU  29  20.817   4.694  -0.270
  227    H    LYS  30           HN       LYS  30  17.795   5.667   4.548
  228    HA   LYS  30           HA       LYS  30  16.374   4.142   6.580
  229   1HB   LYS  30          HB2       LYS  30  16.929   6.660   6.725
  230   2HB   LYS  30          HB1       LYS  30  15.601   6.874   5.589
  231   1HG   LYS  30          HG2       LYS  30  14.853   7.237   7.861
  232   2HG   LYS  30          HG1       LYS  30  14.074   5.811   7.172
  233   1HD   LYS  30          HD2       LYS  30  14.753   5.365   9.456
  234   2HD   LYS  30          HD1       LYS  30  15.702   4.381   8.341
  235   1HE   LYS  30          HE2       LYS  30  17.556   5.956   8.512
  236   2HE   LYS  30          HE1       LYS  30  16.607   6.967   9.602
  237   1HZ   LYS  30          HZ1       LYS  30  18.102   5.609  10.868
  238   2HZ   LYS  30          HZ2       LYS  30  17.538   4.197  10.125
  239   3HZ   LYS  30          HZ3       LYS  30  16.522   5.075  11.153
  240    H    TYR  31           HN       TYR  31  15.201   6.199   3.950
  241    HA   TYR  31           HA       TYR  31  13.607   5.926   2.375
  242   1HB   TYR  31          HB2       TYR  31  14.516   3.133   2.813
  243   2HB   TYR  31          HB1       TYR  31  13.006   3.365   1.936
  244    HD1  TYR  31           HD1      TYR  31  16.403   4.945   1.957
  245    HD2  TYR  31           HD2      TYR  31  13.213   3.331  -0.348
  246    HE1  TYR  31           HE1      TYR  31  17.665   5.407  -0.102
  247    HE2  TYR  31           HE2      TYR  31  14.467   3.786  -2.413
  248    HH   TYR  31           HH       TYR  31  16.269   5.304  -3.177
  249    H    THR  32           HN       THR  32  11.469   6.107   2.349
  250    HA   THR  32           HA       THR  32   9.974   5.023   4.644
  251    HB   THR  32           HB       THR  32   9.705   7.289   4.923
  252    HG1  THR  32           HG1      THR  32   7.659   6.756   3.012
  253   1HG2  THR  32          HG21      THR  32  10.971   8.110   3.082
  254   2HG2  THR  32          HG22      THR  32   9.384   8.878   2.994
  255   3HG2  THR  32          HG23      THR  32   9.775   7.534   1.920
  256    H    CYS  33           HN       CYS  33   8.823   3.321   4.083
  257    HA   CYS  33           HA       CYS  33   8.204   2.537   1.472
  258   1HB   CYS  33          HB2       CYS  33   6.815   1.730   4.031
  259   2HB   CYS  33          HB1       CYS  33   6.756   0.861   2.503
  260    H    LEU  34           HN       LEU  34   6.833   3.203   0.121
  261    HA   LEU  34           HA       LEU  34   5.005   5.253   0.371
  262   1HB   LEU  34          HB2       LEU  34   4.937   2.922  -1.540
  263   2HB   LEU  34          HB1       LEU  34   3.938   4.350  -1.698
  264    HG   LEU  34           HG       LEU  34   6.953   4.243  -1.865
  265   1HD1  LEU  34          HD11      LEU  34   4.945   4.981  -3.982
  266   2HD1  LEU  34          HD12      LEU  34   5.642   3.370  -3.811
  267   3HD1  LEU  34          HD13      LEU  34   6.682   4.748  -4.174
  268   1HD2  LEU  34          HD21      LEU  34   5.155   6.629  -2.251
  269   2HD2  LEU  34          HD22      LEU  34   6.919   6.592  -2.306
  270   3HD2  LEU  34          HD23      LEU  34   6.077   6.311  -0.782
  271    HA   PRO  35           HA       PRO  35   1.950   3.734   3.245
  272   1HB   PRO  35          HB2       PRO  35   0.374   5.539   1.441
  273   2HB   PRO  35          HB1       PRO  35   0.306   5.378   3.200
  274   1HG   PRO  35          HG2       PRO  35   1.677   7.363   2.048
  275   2HG   PRO  35          HG1       PRO  35   2.269   6.566   3.516
  276   1HD   PRO  35          HD2       PRO  35   3.293   6.413   0.754
  277   2HD   PRO  35          HD1       PRO  35   4.121   6.071   2.286
  278    H    GLY  36           HN       GLY  36   1.043   1.815   3.123
  279   1HA   GLY  36          HA2       GLY  36  -1.168   0.914   2.109
  280   2HA   GLY  36          HA1       GLY  36  -0.253   0.998   0.614
  281    H    TYR  37           HN       TYR  37   2.157   0.010   1.192
  282    HA   TYR  37           HA       TYR  37   2.705  -2.323   0.699
  283   1HB   TYR  37          HB2       TYR  37   3.552  -2.708   3.298
  284   2HB   TYR  37          HB1       TYR  37   4.433  -1.863   2.031
  285    HD1  TYR  37           HD1      TYR  37   2.793  -1.566   5.201
  286    HD2  TYR  37           HD2      TYR  37   4.163   0.652   1.827
  287    HE1  TYR  37           HE1      TYR  37   2.723   0.495   6.540
  288    HE2  TYR  37           HE2      TYR  37   4.098   2.716   3.168
  289    HH   TYR  37           HH       TYR  37   3.775   2.728   6.537
  290    H    VAL  38           HN       VAL  38   2.160  -4.338   0.715
  291    HA   VAL  38           HA       VAL  38   0.360  -5.327   2.755
  292    HB   VAL  38           HB       VAL  38  -0.406  -5.507  -0.150
  293   1HG1  VAL  38          HG11      VAL  38  -1.082  -7.479   0.989
  294   2HG1  VAL  38          HG12      VAL  38  -2.506  -6.455   0.792
  295   3HG1  VAL  38          HG13      VAL  38  -1.692  -6.544   2.355
  296   1HG2  VAL  38          HG21      VAL  38  -2.370  -4.138   0.602
  297   2HG2  VAL  38          HG22      VAL  38  -0.827  -3.284   0.583
  298   3HG2  VAL  38          HG23      VAL  38  -1.503  -3.851   2.111
  299    H    ARG  39           HN       ARG  39   1.340  -7.076   3.460
  300    HA   ARG  39           HA       ARG  39   2.266  -9.139   3.549
  301   1HB   ARG  39          HB2       ARG  39   0.601  -9.184   1.295
  302   2HB   ARG  39          HB1       ARG  39   2.095  -9.973   0.815
  303   1HG   ARG  39          HG2       ARG  39   0.479 -11.580   1.662
  304   2HG   ARG  39          HG1       ARG  39   1.908 -11.509   2.696
  305   1HD   ARG  39          HD2       ARG  39   0.733 -10.131   4.293
  306   2HD   ARG  39          HD1       ARG  39  -0.675 -10.048   3.235
  307    HE   ARG  39           HE       ARG  39  -0.226 -12.729   3.706
  308   1HH1  ARG  39          HH11      ARG  39  -0.936  -9.896   5.603
  309   2HH1  ARG  39          HH12      ARG  39  -1.798 -10.770   6.824
  310   1HH2  ARG  39          HH21      ARG  39  -1.361 -13.891   5.308
  311   2HH2  ARG  39          HH22      ARG  39  -2.039 -13.043   6.657
  312    H    SER  40           HN       SER  40   4.282  -7.776   3.747
  313    HA   SER  40           HA       SER  40   6.423  -9.050   2.555
  314   1HB   SER  40          HB2       SER  40   5.521  -6.618   1.068
  315   2HB   SER  40          HB1       SER  40   7.246  -6.941   1.205
  316    HG   SER  40           HG       SER  40   7.052  -8.536  -0.152
  317    H    HIS  41           HN       HIS  41   5.039  -6.554   4.373
  318    HA   HIS  41           HA       HIS  41   7.311  -5.057   5.090
  319   1HB   HIS  41          HB2       HIS  41   5.910  -4.647   7.252
  320   2HB   HIS  41          HB1       HIS  41   5.353  -4.016   5.710
  321    HD1  HIS  41           HD1      HIS  41   3.176  -4.963   4.766
  322    HD2  HIS  41           HD2      HIS  41   4.398  -6.811   8.281
  323    HE1  HIS  41           HE1      HIS  41   1.215  -6.346   5.513
  324    HE2  HIS  41           HE2      HIS  41   1.936  -7.356   7.706
  325    H    SER  42           HN       SER  42   8.891  -5.303   6.543
  326    HA   SER  42           HA       SER  42   8.827  -7.008   8.777
  327   1HB   SER  42          HB2       SER  42   8.904  -8.786   7.063
  328   2HB   SER  42          HB1       SER  42  10.395  -8.092   6.425
  329    HG   SER  42           HG       SER  42  10.466  -9.912   8.063
  330    H    THR  43           HN       THR  43  10.332  -4.831   6.677
  331    HA   THR  43           HA       THR  43  12.186  -3.985   8.698
  332    HB   THR  43           HB       THR  43  13.643  -4.599   6.190
  333    HG1  THR  43           HG1      THR  43  13.166  -6.635   8.125
  334   1HG2  THR  43          HG21      THR  43  14.271  -4.672   9.137
  335   2HG2  THR  43          HG22      THR  43  14.851  -3.518   7.935
  336   3HG2  THR  43          HG23      THR  43  15.407  -5.191   7.893
  337    H    GLN  44           HN       GLN  44  13.975  -2.583   6.973
  338    HA   GLN  44           HA       GLN  44  12.842  -1.124   4.911
  339   1HB   GLN  44          HB2       GLN  44  11.255  -0.505   6.842
  340   2HB   GLN  44          HB1       GLN  44  12.593   0.442   7.474
  341   1HG   GLN  44          HG2       GLN  44  12.549   1.927   5.679
  342   2HG   GLN  44          HG1       GLN  44  11.599   0.831   4.678
  343   1HE2  GLN  44          HE21      GLN  44   9.791   0.158   6.871
  344   2HE2  GLN  44          HE22      GLN  44   8.750   1.522   7.070
  345    H    THR  45           HN       THR  45  15.322  -1.929   5.013
  346    HA   THR  45           HA       THR  45  16.876   0.505   5.193
  347    HB   THR  45           HB       THR  45  18.688  -0.638   6.554
  348    HG1  THR  45           HG1      THR  45  16.585  -2.482   6.801
  349   1HG2  THR  45          HG21      THR  45  16.059   0.012   7.888
  350   2HG2  THR  45          HG22      THR  45  17.351   1.150   7.499
  351   3HG2  THR  45          HG23      THR  45  17.613  -0.102   8.714
  352    H    LEU  46           HN       LEU  46  18.725   0.496   3.991
  353    HA   LEU  46           HA       LEU  46  19.222  -1.902   2.337
  354   1HB   LEU  46          HB2       LEU  46  18.933   0.947   1.635
  355   2HB   LEU  46          HB1       LEU  46  20.307   0.151   0.896
  356    HG   LEU  46           HG       LEU  46  18.831  -1.509  -0.120
  357   1HD1  LEU  46          HD11      LEU  46  17.123  -1.539   1.649
  358   2HD1  LEU  46          HD12      LEU  46  16.427  -1.340   0.041
  359   3HD1  LEU  46          HD13      LEU  46  16.569   0.049   1.119
  360   1HD2  LEU  46          HD21      LEU  46  19.300   0.540  -1.352
  361   2HD2  LEU  46          HD22      LEU  46  17.910   1.322  -0.596
  362   3HD2  LEU  46          HD23      LEU  46  17.669  -0.040  -1.690
  363    H    THR  47           HN       THR  47  21.187  -2.803   2.642
  364    HA   THR  47           HA       THR  47  23.346  -1.074   3.680
  365    HB   THR  47           HB       THR  47  23.128  -4.007   4.341
  366    HG1  THR  47           HG1      THR  47  21.599  -1.974   5.290
  367   1HG2  THR  47          HG21      THR  47  24.588  -3.338   6.226
  368   2HG2  THR  47          HG22      THR  47  24.628  -1.697   5.581
  369   3HG2  THR  47          HG23      THR  47  25.317  -3.028   4.651
  370    H    CYS  48           HN       CYS  48  25.465  -1.536   2.967
  371    HA   CYS  48           HA       CYS  48  25.539  -2.832   0.384
  372   1HB   CYS  48          HB2       CYS  48  26.756  -0.692   0.751
  373   2HB   CYS  48          HB1       CYS  48  27.763  -1.491   1.942
  374    H    ASN  49           HN       ASN  49  25.912  -4.901   0.191
  375    HA   ASN  49           HA       ASN  49  27.280  -6.339   2.335
  376   1HB   ASN  49          HB2       ASN  49  26.504  -8.367   0.955
  377   2HB   ASN  49          HB1       ASN  49  25.253  -7.411   1.751
  378   1HD2  ASN  49          HD21      ASN  49  24.088  -5.878   0.481
  379   2HD2  ASN  49          HD22      ASN  49  23.866  -6.151  -1.210
  380    H    SER  50           HN       SER  50  28.634  -8.310   1.333
  381    HA   SER  50           HA       SER  50  30.696  -7.034  -0.270
  382   1HB   SER  50          HB2       SER  50  31.438  -8.331   1.645
  383   2HB   SER  50          HB1       SER  50  30.584  -9.758   1.058
  384    HG   SER  50           HG       SER  50  33.049  -8.877   0.431
  385    H    ASP  51           HN       ASP  51  28.899  -6.983  -1.953
  386    HA   ASP  51           HA       ASP  51  29.382  -9.070  -3.946
  387   1HB   ASP  51          HB2       ASP  51  27.293  -9.613  -2.478
  388   2HB   ASP  51          HB1       ASP  51  26.551  -8.288  -3.373
  389    H    GLY  52           HN       GLY  52  29.292  -5.954  -3.104
  390   1HA   GLY  52          HA2       GLY  52  29.188  -3.978  -4.259
  391   2HA   GLY  52          HA1       GLY  52  29.416  -4.942  -5.711
  392    H    GLU  53           HN       GLU  53  26.778  -5.779  -3.815
  393    HA   GLU  53           HA       GLU  53  24.913  -4.107  -5.369
  394   1HB   GLU  53          HB2       GLU  53  23.525  -5.918  -5.877
  395   2HB   GLU  53          HB1       GLU  53  25.138  -6.574  -6.111
  396   1HG   GLU  53          HG2       GLU  53  25.031  -7.591  -3.878
  397   2HG   GLU  53          HG1       GLU  53  23.394  -6.964  -3.689
  398    H    TRP  54           HN       TRP  54  22.693  -4.056  -4.359
  399    HA   TRP  54           HA       TRP  54  22.967  -3.759  -1.482
  400   1HB   TRP  54          HB2       TRP  54  20.813  -2.880  -3.418
  401   2HB   TRP  54          HB1       TRP  54  20.798  -2.554  -1.692
  402    HD1  TRP  54           HD1      TRP  54  22.106  -1.211  -4.920
  403    HE1  TRP  54           HE1      TRP  54  23.577   0.854  -4.479
  404    HE3  TRP  54           HE3      TRP  54  22.566  -1.617   0.144
  405    HZ2  TRP  54           HZ2      TRP  54  24.781   2.143  -2.271
  406    HZ3  TRP  54           HZ3      TRP  54  23.891   0.070   1.353
  407    HH2  TRP  54           HH2      TRP  54  24.974   1.910   0.168
  408    H    VAL  55           HN       VAL  55  22.391  -5.328  -0.225
  409    HA   VAL  55           HA       VAL  55  20.550  -7.432  -1.149
  410    HB   VAL  55           HB       VAL  55  22.872  -7.325   0.715
  411   1HG1  VAL  55          HG11      VAL  55  22.150  -9.365   1.865
  412   2HG1  VAL  55          HG12      VAL  55  20.571  -9.233   1.086
  413   3HG1  VAL  55          HG13      VAL  55  21.106  -7.989   2.217
  414   1HG2  VAL  55          HG21      VAL  55  21.844  -9.548  -1.040
  415   2HG2  VAL  55          HG22      VAL  55  23.449  -9.402  -0.317
  416   3HG2  VAL  55          HG23      VAL  55  22.949  -8.288  -1.591
  417    H    TYR  56           HN       TYR  56  18.756  -7.978   0.074
  418    HA   TYR  56           HA       TYR  56  18.220  -7.281   2.637
  419   1HB   TYR  56          HB2       TYR  56  16.686  -5.273   2.381
  420   2HB   TYR  56          HB1       TYR  56  18.403  -4.942   2.169
  421    HD1  TYR  56           HD1      TYR  56  15.236  -5.507   0.322
  422    HD2  TYR  56           HD2      TYR  56  19.218  -4.021   0.150
  423    HE1  TYR  56           HE1      TYR  56  14.766  -4.522  -1.881
  424    HE2  TYR  56           HE2      TYR  56  18.759  -3.029  -2.052
  425    HH   TYR  56           HH       TYR  56  17.194  -3.374  -3.935
  426    H    ASN  57           HN       ASN  57  15.744  -7.122   3.132
  427    HA   ASN  57           HA       ASN  57  14.447  -9.141   1.481
  428   1HB   ASN  57          HB2       ASN  57  12.783  -9.235   3.312
  429   2HB   ASN  57          HB1       ASN  57  14.426  -9.492   3.891
  430   1HD2  ASN  57          HD21      ASN  57  11.666  -7.431   3.933
  431   2HD2  ASN  57          HD22      ASN  57  12.227  -6.346   5.155
  432    H    THR  58           HN       THR  58  11.943  -8.807   1.310
  433    HA   THR  58           HA       THR  58  11.582  -6.380  -0.207
  434    HB   THR  58           HB       THR  58   9.503  -8.493   0.394
  435    HG1  THR  58           HG1      THR  58  11.300  -8.325  -1.816
  436   1HG2  THR  58          HG21      THR  58   8.628  -6.375  -0.499
  437   2HG2  THR  58          HG22      THR  58   8.453  -7.688  -1.662
  438   3HG2  THR  58          HG23      THR  58   9.737  -6.497  -1.865
  439    H    PHE  59           HN       PHE  59  12.027  -5.325   2.094
  440    HA   PHE  59           HA       PHE  59  10.102  -5.163   4.058
  441   1HB   PHE  59          HB2       PHE  59  10.951  -2.797   4.411
  442   2HB   PHE  59          HB1       PHE  59  12.176  -4.059   4.431
  443    HD1  PHE  59           HD1      PHE  59  13.805  -4.242   2.664
  444    HD2  PHE  59           HD2      PHE  59  10.840  -1.191   2.606
  445    HE1  PHE  59           HE1      PHE  59  15.070  -3.049   0.926
  446    HE2  PHE  59           HE2      PHE  59  12.101   0.005   0.865
  447    HZ   PHE  59           HZ       PHE  59  14.217  -0.927   0.022
  448    H    CYS  60           HN       CYS  60   8.064  -4.503   4.105
  449    HA   CYS  60           HA       CYS  60   6.058  -3.654   3.434
  450   1HB   CYS  60          HB2       CYS  60   7.403  -1.396   2.022
  451   2HB   CYS  60          HB1       CYS  60   5.999  -1.378   3.085
  452    H    ILE  61           HN       ILE  61   5.188  -2.321   1.199
  453    HA   ILE  61           HA       ILE  61   6.158  -3.035  -1.260
  454    HB   ILE  61           HB       ILE  61   6.016  -5.355  -0.532
  455   1HG1  ILE  61          HG12      ILE  61   4.057  -4.569  -2.690
  456   2HG1  ILE  61          HG11      ILE  61   5.740  -5.054  -2.880
  457   1HG2  ILE  61          HG21      ILE  61   4.241  -5.153   1.094
  458   2HG2  ILE  61          HG22      ILE  61   3.872  -6.427  -0.069
  459   3HG2  ILE  61          HG23      ILE  61   3.069  -4.861  -0.191
  460   1HD1  ILE  61          HD11      ILE  61   4.269  -6.837  -3.571
  461   2HD1  ILE  61          HD12      ILE  61   3.469  -6.819  -1.998
  462   3HD1  ILE  61          HD13      ILE  61   5.157  -7.312  -2.121
  463    H    TYR  62           HN       TYR  62   3.039  -4.198  -1.436
  464    HA   TYR  62           HA       TYR  62   1.530  -1.770  -1.273
  465   1HB   TYR  62          HB2       TYR  62   3.025  -2.228  -3.651
  466   2HB   TYR  62          HB1       TYR  62   1.294  -2.250  -4.001
  467    HD1  TYR  62           HD1      TYR  62   4.124  -0.207  -3.517
  468    HD2  TYR  62           HD2      TYR  62  -0.072  -0.325  -2.841
  469    HE1  TYR  62           HE1      TYR  62   4.110   2.229  -3.240
  470    HE2  TYR  62           HE2      TYR  62  -0.112   2.115  -2.576
  471    HH   TYR  62           HH       TYR  62   2.049   3.879  -1.769
  472    H    LYS  63           HN       LYS  63  -0.293  -2.378  -3.323
  473    HA   LYS  63           HA       LYS  63  -1.836  -4.072  -3.926
  474   1HB   LYS  63          HB2       LYS  63  -0.838  -5.294  -1.478
  475   2HB   LYS  63          HB1       LYS  63  -2.588  -5.323  -1.561
  476   1HG   LYS  63          HG2       LYS  63  -2.479  -6.430  -3.728
  477   2HG   LYS  63          HG1       LYS  63  -0.716  -6.390  -3.664
  478   1HD   LYS  63          HD2       LYS  63  -2.425  -7.738  -1.580
  479   2HD   LYS  63          HD1       LYS  63  -1.763  -8.574  -2.985
  480   1HE   LYS  63          HE2       LYS  63  -0.031  -7.025  -1.089
  481   2HE   LYS  63          HE1       LYS  63  -0.442  -8.715  -0.795
  482   1HZ   LYS  63          HZ1       LYS  63   0.546  -9.286  -2.924
  483   2HZ   LYS  63          HZ2       LYS  63   1.674  -8.496  -1.943
  484   3HZ   LYS  63          HZ3       LYS  63   0.931  -7.663  -3.214
  485    H    ARG  64           HN       ARG  64  -3.595  -2.964  -4.184
  486    HA   ARG  64           HA       ARG  64  -4.823  -1.688  -1.843
  487   1HB   ARG  64          HB2       ARG  64  -5.738  -0.082  -3.745
  488   2HB   ARG  64          HB1       ARG  64  -4.177   0.181  -2.987
  489   1HG   ARG  64          HG2       ARG  64  -3.620  -1.520  -5.097
  490   2HG   ARG  64          HG1       ARG  64  -4.811  -0.387  -5.741
  491   1HD   ARG  64          HD2       ARG  64  -2.310   0.415  -4.259
  492   2HD   ARG  64          HD1       ARG  64  -2.456   0.365  -6.018
  493    HE   ARG  64           HE       ARG  64  -4.512   1.958  -4.921
  494   1HH1  ARG  64          HH11      ARG  64  -1.080   1.980  -5.526
  495   2HH1  ARG  64          HH12      ARG  64  -0.984   3.703  -5.660
  496   1HH2  ARG  64          HH21      ARG  64  -4.395   4.229  -5.096
  497   2HH2  ARG  64          HH22      ARG  64  -2.868   4.982  -5.415
  498    H    CYS  65           HN       CYS  65  -7.044  -0.860  -3.837
  499    HA   CYS  65           HA       CYS  65  -8.212  -3.435  -4.470
  500   1HB   CYS  65          HB2       CYS  65 -10.103  -1.839  -2.919
  501   2HB   CYS  65          HB1       CYS  65  -9.744  -3.559  -2.826
  502    H    ARG  66           HN       ARG  66  -9.612  -3.315  -6.141
  503    HA   ARG  66           HA       ARG  66  -9.767  -0.928  -7.627
  504   1HB   ARG  66          HB2       ARG  66  -9.941  -3.087  -8.730
  505   2HB   ARG  66          HB1       ARG  66 -11.401  -3.468  -7.827
  506   1HG   ARG  66          HG2       ARG  66 -11.848  -2.802 -10.155
  507   2HG   ARG  66          HG1       ARG  66 -12.624  -1.743  -8.977
  508   1HD   ARG  66          HD2       ARG  66 -10.890  -0.082  -9.274
  509   2HD   ARG  66          HD1       ARG  66 -10.013  -1.153 -10.367
  510    HE   ARG  66           HE       ARG  66 -12.641  -0.694 -11.317
  511   1HH1  ARG  66          HH11      ARG  66  -9.527   0.840 -11.004
  512   2HH1  ARG  66          HH12      ARG  66  -9.761   1.883 -12.365
  513   1HH2  ARG  66          HH21      ARG  66 -12.956   0.678 -13.112
  514   2HH2  ARG  66          HH22      ARG  66 -11.709   1.793 -13.563
  515    H    HIS  67           HN       HIS  67 -11.487   0.468  -7.983
  516    HA   HIS  67           HA       HIS  67 -13.039   1.092  -5.706
  517   1HB   HIS  67          HB2       HIS  67 -12.298   2.685  -7.549
  518   2HB   HIS  67          HB1       HIS  67 -13.609   2.024  -8.522
  519    HD1  HIS  67           HD1      HIS  67 -15.925   2.918  -8.105
  520    HD2  HIS  67           HD2      HIS  67 -13.184   4.122  -5.226
  521    HE1  HIS  67           HE1      HIS  67 -17.120   4.646  -6.720
  522    HE2  HIS  67           HE2      HIS  67 -15.470   5.295  -4.930
  523    HA   PRO  68           HA       PRO  68 -16.329  -1.894  -6.299
  524   1HB   PRO  68          HB2       PRO  68 -18.164  -0.677  -4.664
  525   2HB   PRO  68          HB1       PRO  68 -16.870  -1.722  -4.074
  526   1HG   PRO  68          HG2       PRO  68 -17.010   1.263  -4.154
  527   2HG   PRO  68          HG1       PRO  68 -16.364   0.202  -2.889
  528   1HD   PRO  68          HD2       PRO  68 -14.753   1.499  -4.620
  529   2HD   PRO  68          HD1       PRO  68 -14.357  -0.117  -3.998
  530    H    GLY  69           HN       GLY  69 -16.406   1.445  -7.047
  531   1HA   GLY  69          HA2       GLY  69 -17.352   2.172  -9.111
  532   2HA   GLY  69          HA1       GLY  69 -18.517   0.861  -9.001
  533    H    GLU  70           HN       GLU  70 -19.990   2.554  -9.557
  534    HA   GLU  70           HA       GLU  70 -20.573   4.589  -7.583
  535   1HB   GLU  70          HB2       GLU  70 -20.815   5.101  -9.988
  536   2HB   GLU  70          HB1       GLU  70 -22.043   3.849 -10.121
  537   1HG   GLU  70          HG2       GLU  70 -23.473   5.088  -8.575
  538   2HG   GLU  70          HG1       GLU  70 -22.242   6.343  -8.447
  539    H    LEU  71           HN       LEU  71 -22.006   4.598  -6.108
  540    HA   LEU  71           HA       LEU  71 -23.632   2.196  -5.704
  541   1HB   LEU  71          HB2       LEU  71 -22.269   2.723  -3.819
  542   2HB   LEU  71          HB1       LEU  71 -22.695   4.421  -3.894
  543    HG   LEU  71           HG       LEU  71 -24.971   3.868  -3.171
  544   1HD1  LEU  71          HD11      LEU  71 -25.513   1.654  -2.339
  545   2HD1  LEU  71          HD12      LEU  71 -23.926   1.068  -2.842
  546   3HD1  LEU  71          HD13      LEU  71 -25.096   1.592  -4.053
  547   1HD2  LEU  71          HD21      LEU  71 -22.842   2.787  -1.342
  548   2HD2  LEU  71          HD22      LEU  71 -24.438   3.364  -0.861
  549   3HD2  LEU  71          HD23      LEU  71 -23.262   4.488  -1.538
  550    H    ARG  72           HN       ARG  72 -25.413   2.505  -6.968
  551    HA   ARG  72           HA       ARG  72 -26.657   5.013  -7.389
  552   1HB   ARG  72          HB2       ARG  72 -26.968   3.010  -8.887
  553   2HB   ARG  72          HB1       ARG  72 -27.953   2.280  -7.625
  554   1HG   ARG  72          HG2       ARG  72 -29.586   4.046  -7.820
  555   2HG   ARG  72          HG1       ARG  72 -28.582   4.877  -9.011
  556   1HD   ARG  72          HD2       ARG  72 -29.838   2.154  -9.328
  557   2HD   ARG  72          HD1       ARG  72 -30.382   3.645 -10.096
  558    HE   ARG  72           HE       ARG  72 -27.718   3.285 -10.798
  559   1HH1  ARG  72          HH11      ARG  72 -30.769   1.665 -11.262
  560   2HH1  ARG  72          HH12      ARG  72 -30.318   0.977 -12.787
  561   1HH2  ARG  72          HH21      ARG  72 -27.118   2.383 -12.806
  562   2HH2  ARG  72          HH22      ARG  72 -28.244   1.385 -13.664
  563    H    ASN  73           HN       ASN  73 -28.026   6.150  -6.348
  564    HA   ASN  73           HA       ASN  73 -29.244   6.946  -4.605
  565   1HB   ASN  73          HB2       ASN  73 -29.991   4.011  -4.434
  566   2HB   ASN  73          HB1       ASN  73 -30.688   5.225  -3.368
  567   1HD2  ASN  73          HD21      ASN  73 -29.881   5.901  -6.691
  568   2HD2  ASN  73          HD22      ASN  73 -31.505   6.027  -7.264
  569    H    GLY  74           HN       GLY  74 -26.617   6.765  -4.206
  570   1HA   GLY  74          HA2       GLY  74 -26.335   6.547  -1.453
  571   2HA   GLY  74          HA1       GLY  74 -25.721   5.066  -2.161
  572    H    GLN  75           HN       GLN  75 -23.878   6.206  -0.855
  573    HA   GLN  75           HA       GLN  75 -22.111   7.378  -2.844
  574   1HB   GLN  75          HB2       GLN  75 -22.540   8.751  -0.184
  575   2HB   GLN  75          HB1       GLN  75 -21.432   9.250  -1.455
  576   1HG   GLN  75          HG2       GLN  75 -23.296   9.736  -2.926
  577   2HG   GLN  75          HG1       GLN  75 -24.429   9.176  -1.696
  578   1HE2  GLN  75          HE21      GLN  75 -24.231  11.780  -2.973
  579   2HE2  GLN  75          HE22      GLN  75 -23.998  12.925  -1.701
  580    H    VAL  76           HN       VAL  76 -21.168   5.249  -2.582
  581    HA   VAL  76           HA       VAL  76 -20.262   4.091  -0.299
  582    HB   VAL  76           HB       VAL  76 -19.855   2.723  -2.049
  583   1HG1  VAL  76          HG11      VAL  76 -18.817   3.439  -4.182
  584   2HG1  VAL  76          HG12      VAL  76 -18.791   5.091  -3.559
  585   3HG1  VAL  76          HG13      VAL  76 -20.329   4.259  -3.796
  586   1HG2  VAL  76          HG21      VAL  76 -17.406   2.567  -2.525
  587   2HG2  VAL  76          HG22      VAL  76 -17.824   2.626  -0.813
  588   3HG2  VAL  76          HG23      VAL  76 -17.197   4.064  -1.619
  589    H    GLU  77           HN       GLU  77 -18.955   4.799   1.317
  590    HA   GLU  77           HA       GLU  77 -17.528   7.218   1.178
  591   1HB   GLU  77          HB2       GLU  77 -18.296   6.436   3.304
  592   2HB   GLU  77          HB1       GLU  77 -17.395   4.935   3.145
  593   1HG   GLU  77          HG2       GLU  77 -15.345   5.985   3.522
  594   2HG   GLU  77          HG1       GLU  77 -16.005   7.590   3.210
  595    H    ILE  78           HN       ILE  78 -15.928   7.451  -0.254
  596    HA   ILE  78           HA       ILE  78 -13.633   5.616  -0.046
  597    HB   ILE  78           HB       ILE  78 -14.783   6.783  -2.584
  598   1HG1  ILE  78          HG12      ILE  78 -15.843   4.700  -1.738
  599   2HG1  ILE  78          HG11      ILE  78 -15.046   4.483  -3.292
  600   1HG2  ILE  78          HG21      ILE  78 -12.366   6.988  -2.631
  601   2HG2  ILE  78          HG22      ILE  78 -12.901   5.736  -3.753
  602   3HG2  ILE  78          HG23      ILE  78 -12.196   5.286  -2.201
  603   1HD1  ILE  78          HD11      ILE  78 -13.107   3.503  -2.094
  604   2HD1  ILE  78          HD12      ILE  78 -14.599   2.579  -1.926
  605   3HD1  ILE  78          HD13      ILE  78 -14.040   3.601  -0.600
  606    H    LYS  79           HN       LYS  79 -11.606   6.581  -0.149
  607    HA   LYS  79           HA       LYS  79 -11.163   9.265  -0.929
  608   1HB   LYS  79          HB2       LYS  79 -10.724  10.284   1.232
  609   2HB   LYS  79          HB1       LYS  79 -12.391   9.735   1.156
  610   1HG   LYS  79          HG2       LYS  79 -10.177   8.190   2.482
  611   2HG   LYS  79          HG1       LYS  79 -11.233   9.324   3.326
  612   1HD   LYS  79          HD2       LYS  79 -13.180   7.958   2.511
  613   2HD   LYS  79          HD1       LYS  79 -12.010   6.763   1.946
  614   1HE   LYS  79          HE2       LYS  79 -11.123   6.638   4.269
  615   2HE   LYS  79          HE1       LYS  79 -12.435   7.694   4.781
  616   1HZ   LYS  79          HZ1       LYS  79 -12.940   5.353   5.158
  617   2HZ   LYS  79          HZ2       LYS  79 -12.776   5.034   3.505
  618   3HZ   LYS  79          HZ3       LYS  79 -14.018   6.040   4.053
  619    H    THR  80           HN       THR  80 -10.135   6.571   1.069
  620    HA   THR  80           HA       THR  80  -7.356   7.284   0.990
  621    HB   THR  80           HB       THR  80  -6.969   5.315   2.260
  622    HG1  THR  80           HG1      THR  80  -9.229   4.426   0.932
  623   1HG2  THR  80          HG21      THR  80  -9.463   6.831   2.877
  624   2HG2  THR  80          HG22      THR  80  -7.933   6.769   3.757
  625   3HG2  THR  80          HG23      THR  80  -9.069   5.423   3.867
  626    H    ASP  81           HN       ASP  81  -8.978   6.670  -1.542
  627    HA   ASP  81           HA       ASP  81  -8.577   5.786  -3.598
  628   1HB   ASP  81          HB2       ASP  81  -5.871   5.506  -2.345
  629   2HB   ASP  81          HB1       ASP  81  -6.187   4.935  -3.981
  630    H    LEU  82           HN       LEU  82  -8.897   4.040  -0.974
  631    HA   LEU  82           HA       LEU  82  -9.499   1.884  -0.554
  632   1HB   LEU  82          HB2       LEU  82  -9.219   1.644  -3.534
  633   2HB   LEU  82          HB1       LEU  82  -9.888   0.395  -2.499
  634    HG   LEU  82           HG       LEU  82 -11.382   2.613  -1.840
  635   1HD1  LEU  82          HD11      LEU  82 -10.459   3.908  -3.671
  636   2HD1  LEU  82          HD12      LEU  82 -12.150   3.522  -3.989
  637   3HD1  LEU  82          HD13      LEU  82 -10.872   2.627  -4.811
  638   1HD2  LEU  82          HD21      LEU  82 -12.156   0.340  -2.141
  639   2HD2  LEU  82          HD22      LEU  82 -11.938   0.486  -3.884
  640   3HD2  LEU  82          HD23      LEU  82 -13.148   1.471  -3.063
  641    H    SER  83           HN       SER  83  -7.076   2.286   0.200
  642    HA   SER  83           HA       SER  83  -5.238   0.407  -1.042
  643   1HB   SER  83          HB2       SER  83  -3.664   1.120   0.731
  644   2HB   SER  83          HB1       SER  83  -4.337   2.508  -0.125
  645    HG   SER  83           HG       SER  83  -4.430   2.909   2.071
  646    H    PHE  84           HN       PHE  84  -5.013  -1.685  -0.405
  647    HA   PHE  84           HA       PHE  84  -6.800  -3.106   1.023
  648   1HB   PHE  84          HB2       PHE  84  -5.075  -4.272  -0.157
  649   2HB   PHE  84          HB1       PHE  84  -3.823  -3.580   0.870
  650    HD1  PHE  84           HD1      PHE  84  -3.324  -4.500   3.012
  651    HD2  PHE  84           HD2      PHE  84  -6.573  -6.015   0.719
  652    HE1  PHE  84           HE1      PHE  84  -3.485  -6.433   4.525
  653    HE2  PHE  84           HE2      PHE  84  -6.738  -7.952   2.227
  654    HZ   PHE  84           HZ       PHE  84  -5.193  -8.162   4.135
  655    H    GLY  85           HN       GLY  85  -7.149  -3.794   3.134
  656   1HA   GLY  85          HA2       GLY  85  -6.896  -3.851   5.435
  657   2HA   GLY  85          HA1       GLY  85  -5.426  -2.900   5.272
  658    H    SER  86           HN       SER  86  -8.529  -1.991   3.882
  659    HA   SER  86           HA       SER  86  -8.823   0.048   5.956
  660   1HB   SER  86          HB2       SER  86  -8.843   0.581   2.987
  661   2HB   SER  86          HB1       SER  86  -9.383   1.740   4.204
  662    HG   SER  86           HG       SER  86  -7.376   2.204   4.599
  663    H    GLN  87           HN       GLN  87 -10.829   1.114   6.007
  664    HA   GLN  87           HA       GLN  87 -13.035  -0.682   5.261
  665   1HB   GLN  87          HB2       GLN  87 -13.117  -0.567   7.571
  666   2HB   GLN  87          HB1       GLN  87 -12.531   1.088   7.615
  667   1HG   GLN  87          HG2       GLN  87 -15.200   0.606   6.421
  668   2HG   GLN  87          HG1       GLN  87 -15.035   0.457   8.171
  669   1HE2  GLN  87          HE21      GLN  87 -15.031   2.597   5.468
  670   2HE2  GLN  87          HE22      GLN  87 -14.966   4.073   6.360
  671    H    ILE  88           HN       ILE  88 -14.645   0.057   3.993
  672    HA   ILE  88           HA       ILE  88 -14.850   2.939   3.505
  673    HB   ILE  88           HB       ILE  88 -15.252   2.514   1.084
  674   1HG1  ILE  88          HG12      ILE  88 -13.876  -0.133   1.423
  675   2HG1  ILE  88          HG11      ILE  88 -15.629  -0.021   1.551
  676   1HG2  ILE  88          HG21      ILE  88 -12.519   1.694   2.050
  677   2HG2  ILE  88          HG22      ILE  88 -13.106   3.354   1.937
  678   3HG2  ILE  88          HG23      ILE  88 -12.916   2.385   0.476
  679   1HD1  ILE  88          HD11      ILE  88 -15.017  -0.658  -0.681
  680   2HD1  ILE  88          HD12      ILE  88 -13.952   0.740  -0.826
  681   3HD1  ILE  88          HD13      ILE  88 -15.697   0.970  -0.704
  682    H    GLU  89           HN       GLU  89 -16.698   2.960   4.784
  683    HA   GLU  89           HA       GLU  89 -18.866   1.196   4.507
  684   1HB   GLU  89          HB2       GLU  89 -18.612   3.970   5.639
  685   2HB   GLU  89          HB1       GLU  89 -20.162   3.142   5.585
  686   1HG   GLU  89          HG2       GLU  89 -19.189   1.295   6.874
  687   2HG   GLU  89          HG1       GLU  89 -17.679   2.197   6.993
  688    H    PHE  90           HN       PHE  90 -21.122   2.606   4.173
  689    HA   PHE  90           HA       PHE  90 -20.968   3.855   1.531
  690   1HB   PHE  90          HB2       PHE  90 -22.859   1.615   2.281
  691   2HB   PHE  90          HB1       PHE  90 -22.900   2.516   0.770
  692    HD1  PHE  90           HD1      PHE  90 -21.003   0.067   2.762
  693    HD2  PHE  90           HD2      PHE  90 -21.319   2.090  -0.981
  694    HE1  PHE  90           HE1      PHE  90 -19.390  -1.501   1.772
  695    HE2  PHE  90           HE2      PHE  90 -19.705   0.525  -1.968
  696    HZ   PHE  90           HZ       PHE  90 -18.737  -1.276  -0.590
  697    H    SER  91           HN       SER  91 -23.481   4.539   1.019
  698    HA   SER  91           HA       SER  91 -24.869   5.422   3.371
  699   1HB   SER  91          HB2       SER  91 -24.675   7.854   2.838
  700   2HB   SER  91          HB1       SER  91 -23.169   7.121   3.391
  701    HG   SER  91           HG       SER  91 -22.943   8.484   1.516
  702    H    CYS  92           HN       CYS  92 -26.875   5.027   2.834
  703    HA   CYS  92           HA       CYS  92 -27.736   5.343   0.066
  704   1HB   CYS  92          HB2       CYS  92 -29.170   4.270   2.505
  705   2HB   CYS  92          HB1       CYS  92 -29.926   4.437   0.925
  706    H    SER  93           HN       SER  93 -28.496   7.207  -0.650
  707    HA   SER  93           HA       SER  93 -28.714   9.535   0.770
  708   1HB   SER  93          HB2       SER  93 -30.219  10.323  -1.117
  709   2HB   SER  93          HB1       SER  93 -28.648   9.669  -1.595
  710    HG   SER  93           HG       SER  93 -31.112   8.818  -2.258
  711    H    GLU  94           HN       GLU  94 -30.658  10.921   1.015
  712    HA   GLU  94           HA       GLU  94 -32.311  10.132   3.019
  713   1HB   GLU  94          HB2       GLU  94 -32.188  12.436   2.456
  714   2HB   GLU  94          HB1       GLU  94 -32.750  12.142   0.817
  715   1HG   GLU  94          HG2       GLU  94 -34.550  13.119   1.941
  716   2HG   GLU  94          HG1       GLU  94 -34.932  11.402   1.831
  717    H    GLY  95           HN       GLY  95 -34.431   9.405   3.203
  718   1HA   GLY  95          HA2       GLY  95 -36.373   8.306   2.599
  719   2HA   GLY  95          HA1       GLY  95 -35.964   8.599   0.916
  720    H    PHE  96           HN       PHE  96 -33.327   7.309   1.132
  721    HA   PHE  96           HA       PHE  96 -34.293   4.522   1.174
  722   1HB   PHE  96          HB2       PHE  96 -31.900   5.541  -0.373
  723   2HB   PHE  96          HB1       PHE  96 -32.718   3.993  -0.547
  724    HD1  PHE  96           HD1      PHE  96 -33.025   7.617  -1.164
  725    HD2  PHE  96           HD2      PHE  96 -34.572   3.740  -1.984
  726    HE1  PHE  96           HE1      PHE  96 -34.400   8.555  -2.976
  727    HE2  PHE  96           HE2      PHE  96 -35.952   4.670  -3.797
  728    HZ   PHE  96           HZ       PHE  96 -35.867   7.080  -4.295
  729    H    PHE  97           HN       PHE  97 -33.460   3.259   2.681
  730    HA   PHE  97           HA       PHE  97 -31.179   4.239   4.213
  731   1HB   PHE  97          HB2       PHE  97 -31.811   2.624   5.905
  732   2HB   PHE  97          HB1       PHE  97 -33.219   3.558   5.425
  733    HD1  PHE  97           HD1      PHE  97 -31.856   0.304   5.855
  734    HD2  PHE  97           HD2      PHE  97 -34.816   2.508   3.737
  735    HE1  PHE  97           HE1      PHE  97 -33.113  -1.775   5.448
  736    HE2  PHE  97           HE2      PHE  97 -36.069   0.435   3.315
  737    HZ   PHE  97           HZ       PHE  97 -35.220  -1.710   4.175
  738    H    LEU  98           HN       LEU  98 -29.654   2.580   5.040
  739    HA   LEU  98           HA       LEU  98 -28.545   1.173   2.759
  740   1HB   LEU  98          HB2       LEU  98 -27.199   2.667   4.241
  741   2HB   LEU  98          HB1       LEU  98 -27.394   1.488   5.522
  742    HG   LEU  98           HG       LEU  98 -25.934  -0.006   4.567
  743   1HD1  LEU  98          HD11      LEU  98 -26.408   1.269   1.878
  744   2HD1  LEU  98          HD12      LEU  98 -27.151  -0.221   2.455
  745   3HD1  LEU  98          HD13      LEU  98 -25.407  -0.147   2.200
  746   1HD2  LEU  98          HD21      LEU  98 -23.983   1.193   3.805
  747   2HD2  LEU  98          HD22      LEU  98 -24.771   2.104   5.093
  748   3HD2  LEU  98          HD23      LEU  98 -24.970   2.600   3.413
  749    H    ILE  99           HN       ILE  99 -28.345  -0.960   2.534
  750    HA   ILE  99           HA       ILE  99 -28.719  -2.832   4.713
  751    HB   ILE  99           HB       ILE  99 -30.347  -3.718   2.518
  752   1HG1  ILE  99          HG12      ILE  99 -31.477  -1.303   3.882
  753   2HG1  ILE  99          HG11      ILE  99 -30.575  -1.157   2.382
  754   1HG2  ILE  99          HG21      ILE  99 -31.984  -4.094   4.275
  755   2HG2  ILE  99          HG22      ILE  99 -31.041  -3.098   5.384
  756   3HG2  ILE  99          HG23      ILE  99 -30.382  -4.622   4.790
  757   1HD1  ILE  99          HD11      ILE  99 -32.968  -1.211   1.977
  758   2HD1  ILE  99          HD12      ILE  99 -33.073  -2.783   2.771
  759   3HD1  ILE  99          HD13      ILE  99 -32.170  -2.614   1.265
  760    H    GLY 100           HN       GLY 100 -27.066  -4.089   4.431
  761   1HA   GLY 100          HA2       GLY 100 -26.353  -6.022   2.946
  762   2HA   GLY 100          HA1       GLY 100 -26.185  -4.788   1.709
  763    H    SER 101           HN       SER 101 -25.237  -5.161   5.092
  764    HA   SER 101           HA       SER 101 -23.297  -4.745   6.195
  765   1HB   SER 101          HB2       SER 101 -22.234  -5.529   3.485
  766   2HB   SER 101          HB1       SER 101 -21.166  -5.155   4.837
  767    HG   SER 101           HG       SER 101 -23.192  -7.145   4.837
  768    H    THR 102           HN       THR 102 -23.476  -2.614   6.719
  769    HA   THR 102           HA       THR 102 -23.229  -0.489   4.854
  770    HB   THR 102           HB       THR 102 -23.231   0.997   6.776
  771    HG1  THR 102           HG1      THR 102 -23.110  -1.296   8.453
  772   1HG2  THR 102          HG21      THR 102 -25.379   0.040   6.134
  773   2HG2  THR 102          HG22      THR 102 -25.301   0.246   7.884
  774   3HG2  THR 102          HG23      THR 102 -25.087  -1.354   7.174
  775    H    THR 103           HN       THR 103 -20.920  -2.521   6.195
  776    HA   THR 103           HA       THR 103 -18.812  -0.498   5.808
  777    HB   THR 103           HB       THR 103 -18.277  -3.063   7.235
  778    HG1  THR 103           HG1      THR 103 -19.959  -2.350   8.469
  779   1HG2  THR 103          HG21      THR 103 -16.445  -1.555   6.620
  780   2HG2  THR 103          HG22      THR 103 -16.613  -1.690   8.371
  781   3HG2  THR 103          HG23      THR 103 -17.215  -0.259   7.533
  782    H    SER 104           HN       SER 104 -16.830  -1.254   4.757
  783    HA   SER 104           HA       SER 104 -17.008  -3.791   3.347
  784   1HB   SER 104          HB2       SER 104 -17.976  -2.092   1.812
  785   2HB   SER 104          HB1       SER 104 -16.489  -1.153   1.942
  786    HG   SER 104           HG       SER 104 -16.966  -2.994   0.204
  787    H    ARG 105           HN       ARG 105 -15.179  -4.781   3.874
  788    HA   ARG 105           HA       ARG 105 -12.746  -3.185   4.376
  789   1HB   ARG 105          HB2       ARG 105 -13.345  -6.048   5.162
  790   2HB   ARG 105          HB1       ARG 105 -11.936  -5.108   5.637
  791   1HG   ARG 105          HG2       ARG 105 -13.402  -3.552   6.845
  792   2HG   ARG 105          HG1       ARG 105 -14.792  -4.542   6.401
  793   1HD   ARG 105          HD2       ARG 105 -12.426  -5.494   8.008
  794   2HD   ARG 105          HD1       ARG 105 -13.977  -4.999   8.685
  795    HE   ARG 105           HE       ARG 105 -14.397  -7.008   6.759
  796   1HH1  ARG 105          HH11      ARG 105 -13.077  -6.568   9.954
  797   2HH1  ARG 105          HH12      ARG 105 -13.426  -8.186  10.462
  798   1HH2  ARG 105          HH21      ARG 105 -14.863  -9.141   7.422
  799   2HH2  ARG 105          HH22      ARG 105 -14.442  -9.648   9.024
  800    H    CYS 106           HN       CYS 106 -10.792  -3.754   3.428
  801    HA   CYS 106           HA       CYS 106 -11.079  -5.041   0.843
  802   1HB   CYS 106          HB2       CYS 106  -9.976  -2.811   1.070
  803   2HB   CYS 106          HB1       CYS 106  -8.685  -3.590   1.979
  804    H    GLU 107           HN       GLU 107 -10.643  -7.095   0.613
  805    HA   GLU 107           HA       GLU 107  -8.697  -8.349   2.423
  806   1HB   GLU 107          HB2       GLU 107 -11.079  -9.027   2.700
  807   2HB   GLU 107          HB1       GLU 107 -11.054  -9.642   1.050
  808   1HG   GLU 107          HG2       GLU 107 -10.770 -11.461   2.591
  809   2HG   GLU 107          HG1       GLU 107  -9.282 -11.223   1.675
  810    H    VAL 108           HN       VAL 108  -7.652 -10.298   1.483
  811    HA   VAL 108           HA       VAL 108  -7.294 -10.046  -1.424
  812    HB   VAL 108           HB       VAL 108  -5.123  -9.998   0.634
  813   1HG1  VAL 108          HG11      VAL 108  -4.734 -10.509  -2.315
  814   2HG1  VAL 108          HG12      VAL 108  -4.610 -11.751  -1.067
  815   3HG1  VAL 108          HG13      VAL 108  -3.478 -10.395  -1.080
  816   1HG2  VAL 108          HG21      VAL 108  -4.423  -8.030  -0.563
  817   2HG2  VAL 108          HG22      VAL 108  -6.139  -7.894  -0.173
  818   3HG2  VAL 108          HG23      VAL 108  -5.639  -8.317  -1.809
  819    H    GLN 109           HN       GLN 109  -7.294 -11.786  -2.519
  820    HA   GLN 109           HA       GLN 109  -6.942 -14.368  -1.154
  821   1HB   GLN 109          HB2       GLN 109  -8.352 -14.012  -3.787
  822   2HB   GLN 109          HB1       GLN 109  -8.527 -15.310  -2.611
  823   1HG   GLN 109          HG2       GLN 109  -9.765 -13.940  -1.137
  824   2HG   GLN 109          HG1       GLN 109  -9.342 -12.479  -2.025
  825   1HE2  GLN 109          HE21      GLN 109 -11.963 -13.271  -1.336
  826   2HE2  GLN 109          HE22      GLN 109 -12.833 -13.562  -2.800
  827    H    ASP 110           HN       ASP 110  -5.013 -15.209  -1.509
  828    HA   ASP 110           HA       ASP 110  -3.177 -16.032  -2.548
  829   1HB   ASP 110          HB2       ASP 110  -4.896 -15.528  -4.957
  830   2HB   ASP 110          HB1       ASP 110  -3.265 -16.178  -5.102
  831    H    ARG 111           HN       ARG 111  -3.774 -13.883  -5.231
  832    HA   ARG 111           HA       ARG 111  -1.838 -11.954  -4.228
  833   1HB   ARG 111          HB2       ARG 111  -0.570 -12.004  -6.337
  834   2HB   ARG 111          HB1       ARG 111  -0.500 -13.549  -5.501
  835   1HG   ARG 111          HG2       ARG 111  -2.253 -14.412  -6.994
  836   2HG   ARG 111          HG1       ARG 111  -2.246 -12.874  -7.859
  837   1HD   ARG 111          HD2       ARG 111  -0.908 -14.569  -9.015
  838   2HD   ARG 111          HD1       ARG 111   0.079 -13.209  -8.480
  839    HE   ARG 111           HE       ARG 111   0.052 -15.336  -6.577
  840   1HH1  ARG 111          HH11      ARG 111   1.486 -14.255  -9.562
  841   2HH1  ARG 111          HH12      ARG 111   2.937 -15.176  -9.350
  842   1HH2  ARG 111          HH21      ARG 111   1.959 -16.551  -6.287
  843   2HH2  ARG 111          HH22      ARG 111   3.206 -16.482  -7.488
  844    H    GLY 112           HN       GLY 112  -4.763 -12.474  -5.377
  845   1HA   GLY 112          HA2       GLY 112  -4.850  -9.907  -6.830
  846   2HA   GLY 112          HA1       GLY 112  -5.894 -11.265  -7.227
  847    H    VAL 113           HN       VAL 113  -5.502  -8.488  -5.335
  848    HA   VAL 113           HA       VAL 113  -6.858  -8.865  -3.036
  849    HB   VAL 113           HB       VAL 113  -7.737  -6.506  -4.610
  850   1HG1  VAL 113          HG11      VAL 113  -8.328  -6.793  -2.244
  851   2HG1  VAL 113          HG12      VAL 113  -7.347  -5.353  -2.526
  852   3HG1  VAL 113          HG13      VAL 113  -6.611  -6.800  -1.839
  853   1HG2  VAL 113          HG21      VAL 113  -5.498  -5.441  -4.163
  854   2HG2  VAL 113          HG22      VAL 113  -5.474  -6.707  -5.391
  855   3HG2  VAL 113          HG23      VAL 113  -4.886  -7.051  -3.762
  856    H    GLY 114           HN       GLY 114  -8.982  -9.117  -2.347
  857   1HA   GLY 114          HA2       GLY 114 -10.896  -9.453  -4.544
  858   2HA   GLY 114          HA1       GLY 114 -10.643 -10.755  -3.410
  859    H    TRP 115           HN       TRP 115 -12.041  -7.548  -3.797
  860    HA   TRP 115           HA       TRP 115 -13.065  -6.974  -1.380
  861   1HB   TRP 115          HB2       TRP 115 -14.208  -6.710  -4.127
  862   2HB   TRP 115          HB1       TRP 115 -15.253  -6.354  -2.756
  863    HD1  TRP 115           HD1      TRP 115 -13.158  -4.582  -5.070
  864    HE1  TRP 115           HE1      TRP 115 -12.348  -2.332  -4.108
  865    HE3  TRP 115           HE3      TRP 115 -14.212  -5.366  -0.131
  866    HZ2  TRP 115           HZ2      TRP 115 -12.163  -1.070  -1.606
  867    HZ3  TRP 115           HZ3      TRP 115 -13.684  -3.583   1.479
  868    HH2  TRP 115           HH2      TRP 115 -12.683  -1.482   0.757
  869    H    SER 116           HN       SER 116 -15.036  -7.405  -0.252
  870    HA   SER 116           HA       SER 116 -15.927 -10.178  -0.607
  871   1HB   SER 116          HB2       SER 116 -16.095  -8.309   1.769
  872   2HB   SER 116          HB1       SER 116 -16.808  -9.923   1.732
  873    HG   SER 116           HG       SER 116 -14.789 -10.808   1.579
  874    H    HIS 117           HN       HIS 117 -17.138  -6.870  -0.238
  875    HA   HIS 117           HA       HIS 117 -19.539  -7.554  -1.682
  876   1HB   HIS 117          HB2       HIS 117 -20.093  -8.182   0.663
  877   2HB   HIS 117          HB1       HIS 117 -19.788  -6.517   1.146
  878    HD1  HIS 117           HD1      HIS 117 -22.199  -8.581  -0.889
  879    HD2  HIS 117           HD2      HIS 117 -21.866  -4.764   0.718
  880    HE1  HIS 117           HE1      HIS 117 -24.459  -7.523  -1.195
  881    HE2  HIS 117           HE2      HIS 117 -24.238  -5.214  -0.210
  882    HA   PRO 118           HA       PRO 118 -18.803  -3.235  -2.575
  883   1HB   PRO 118          HB2       PRO 118 -20.027  -3.186  -4.945
  884   2HB   PRO 118          HB1       PRO 118 -18.519  -4.077  -4.717
  885   1HG   PRO 118          HG2       PRO 118 -21.292  -5.090  -4.996
  886   2HG   PRO 118          HG1       PRO 118 -19.763  -5.862  -5.442
  887   1HD   PRO 118          HD2       PRO 118 -21.306  -6.288  -3.081
  888   2HD   PRO 118          HD1       PRO 118 -19.724  -6.985  -3.480
  889    H    LEU 119           HN       LEU 119 -20.717  -1.891  -4.192
  890    HA   LEU 119           HA       LEU 119 -22.275  -0.515  -2.476
  891   1HB   LEU 119          HB2       LEU 119 -23.501  -1.176  -5.106
  892   2HB   LEU 119          HB1       LEU 119 -23.361   0.362  -4.290
  893    HG   LEU 119           HG       LEU 119 -21.977   0.613  -6.128
  894   1HD1  LEU 119          HD11      LEU 119 -19.661   0.606  -5.290
  895   2HD1  LEU 119          HD12      LEU 119 -20.198  -0.318  -3.886
  896   3HD1  LEU 119          HD13      LEU 119 -20.804   1.317  -4.150
  897   1HD2  LEU 119          HD21      LEU 119 -20.354  -1.074  -6.878
  898   2HD2  LEU 119          HD22      LEU 119 -22.019  -1.651  -6.937
  899   3HD2  LEU 119          HD23      LEU 119 -20.952  -2.171  -5.634
  900    HA   PRO 120           HA       PRO 120 -25.065  -3.763  -1.016
  901   1HB   PRO 120          HB2       PRO 120 -26.121  -1.542   0.614
  902   2HB   PRO 120          HB1       PRO 120 -25.477  -3.103   1.128
  903   1HG   PRO 120          HG2       PRO 120 -24.103  -0.840   1.516
  904   2HG   PRO 120          HG1       PRO 120 -23.286  -2.358   1.100
  905   1HD   PRO 120          HD2       PRO 120 -23.952  -0.022  -0.656
  906   2HD   PRO 120          HD1       PRO 120 -22.467  -0.994  -0.593
  907    H    GLN 121           HN       GLN 121 -27.612  -2.871  -0.066
  908    HA   GLN 121           HA       GLN 121 -28.857  -2.101  -2.615
  909   1HB   GLN 121          HB2       GLN 121 -29.478  -4.125  -0.584
  910   2HB   GLN 121          HB1       GLN 121 -30.865  -3.174  -1.084
  911   1HG   GLN 121          HG2       GLN 121 -30.437  -3.772  -3.414
  912   2HG   GLN 121          HG1       GLN 121 -29.042  -4.725  -2.908
  913   1HE2  GLN 121          HE21      GLN 121 -31.988  -4.569  -1.054
  914   2HE2  GLN 121          HE22      GLN 121 -32.497  -6.193  -1.353
  915    H    CYS 122           HN       CYS 122 -29.600  -0.063  -2.644
  916    HA   CYS 122           HA       CYS 122 -30.370   1.163  -0.092
  917   1HB   CYS 122          HB2       CYS 122 -29.697   2.353  -2.785
  918   2HB   CYS 122          HB1       CYS 122 -30.398   3.298  -1.475
  919    H    GLU 123           HN       GLU 123 -32.470   0.880   0.397
  920    HA   GLU 123           HA       GLU 123 -34.454   1.098  -1.780
  921   1HB   GLU 123          HB2       GLU 123 -34.643  -0.555   0.744
  922   2HB   GLU 123          HB1       GLU 123 -35.857  -0.443  -0.523
  923   1HG   GLU 123          HG2       GLU 123 -33.106  -1.628  -0.784
  924   2HG   GLU 123          HG1       GLU 123 -34.629  -2.510  -0.700
  925    H    ILE 124           HN       ILE 124 -36.266   2.242  -1.389
  926    HA   ILE 124           HA       ILE 124 -36.016   4.399   0.449
  927    HB   ILE 124           HB       ILE 124 -37.157   4.487  -1.808
  928   1HG1  ILE 124          HG12      ILE 124 -38.907   5.516   0.419
  929   2HG1  ILE 124          HG11      ILE 124 -37.315   6.197   0.096
  930   1HG2  ILE 124          HG21      ILE 124 -39.568   3.935  -1.829
  931   2HG2  ILE 124          HG22      ILE 124 -39.377   3.177  -0.249
  932   3HG2  ILE 124          HG23      ILE 124 -38.533   2.518  -1.650
  933   1HD1  ILE 124          HD11      ILE 124 -39.650   6.124  -1.796
  934   2HD1  ILE 124          HD12      ILE 124 -38.043   6.730  -2.193
  935   3HD1  ILE 124          HD13      ILE 124 -39.008   7.536  -0.957
  936    H    LEU 125           HN       LEU 125 -37.489   4.987   2.108
  937    HA   LEU 125           HA       LEU 125 -38.188   2.775   3.808
  938   1HB   LEU 125          HB2       LEU 125 -38.641   5.733   4.207
  939   2HB   LEU 125          HB1       LEU 125 -38.740   4.495   5.443
  940    HG   LEU 125           HG       LEU 125 -36.189   5.040   3.937
  941   1HD1  LEU 125          HD11      LEU 125 -36.851   7.132   4.958
  942   2HD1  LEU 125          HD12      LEU 125 -35.503   6.427   5.849
  943   3HD1  LEU 125          HD13      LEU 125 -37.140   6.319   6.496
  944   1HD2  LEU 125          HD21      LEU 125 -36.692   3.833   6.653
  945   2HD2  LEU 125          HD22      LEU 125 -35.143   3.952   5.813
  946   3HD2  LEU 125          HD23      LEU 125 -36.416   2.909   5.177
  947    H    GLU 126           HN       GLU 126 -39.926   5.370   2.124
  948    HA   GLU 126           HA       GLU 126 -42.333   3.717   2.130
  949   1HB   GLU 126          HB2       GLU 126 -42.209   6.542   3.186
  950   2HB   GLU 126          HB1       GLU 126 -43.708   5.739   2.744
  951   1HG   GLU 126          HG2       GLU 126 -43.264   4.009   4.422
  952   2HG   GLU 126          HG1       GLU 126 -41.782   4.849   4.879
  953    H    HIS 127           HN       HIS 127 -43.898   4.352   0.531
  954    HA   HIS 127           HA       HIS 127 -44.541   5.002  -1.548
  955   1HB   HIS 127          HB2       HIS 127 -42.747   7.324  -0.850
  956   2HB   HIS 127          HB1       HIS 127 -43.642   7.243  -2.365
  957    HD1  HIS 127           HD1      HIS 127 -46.196   7.565  -2.256
  958    HD2  HIS 127           HD2      HIS 127 -44.297   7.850   1.429
  959    HE1  HIS 127           HE1      HIS 127 -47.905   8.544  -0.693
  960    HE2  HIS 127           HE2      HIS 127 -46.751   8.659   1.544
  961    H    HIS 128           HN       HIS 128 -43.967   3.860  -3.261
  962    HA   HIS 128           HA       HIS 128 -41.129   3.517  -3.877
  963   1HB   HIS 128          HB2       HIS 128 -43.566   2.076  -4.947
  964   2HB   HIS 128          HB1       HIS 128 -41.896   1.688  -5.353
  965    HD1  HIS 128           HD1      HIS 128 -44.518   0.880  -2.989
  966    HD2  HIS 128           HD2      HIS 128 -40.364   0.816  -2.991
  967    HE1  HIS 128           HE1      HIS 128 -43.868  -0.606  -1.068
  968    HE2  HIS 128           HE2      HIS 128 -41.349  -0.551  -1.029
  969    H    HIS 129           HN       HIS 129 -41.027   3.035  -6.499
  970    HA   HIS 129           HA       HIS 129 -42.349   5.205  -7.927
  971   1HB   HIS 129          HB2       HIS 129 -40.283   6.153  -8.770
  972   2HB   HIS 129          HB1       HIS 129 -40.256   6.177  -7.009
  973    HD1  HIS 129           HD1      HIS 129 -38.603   4.609  -9.964
  974    HD2  HIS 129           HD2      HIS 129 -38.335   4.507  -5.817
  975    HE1  HIS 129           HE1      HIS 129 -36.449   3.413  -9.457
  976    HE2  HIS 129           HE2      HIS 129 -36.325   3.332  -6.943
  977    H    HIS 130           HN       HIS 130 -41.666   5.160 -10.308
  978    HA   HIS 130           HA       HIS 130 -41.456   2.349 -11.166
  979   1HB   HIS 130          HB2       HIS 130 -42.817   4.693 -12.511
  980   2HB   HIS 130          HB1       HIS 130 -42.639   3.099 -13.235
  981    HD1  HIS 130           HD1      HIS 130 -44.926   5.057 -11.274
  982    HD2  HIS 130           HD2      HIS 130 -43.984   1.021 -11.577
  983    HE1  HIS 130           HE1      HIS 130 -46.881   3.833 -10.272
  984    HE2  HIS 130           HE2      HIS 130 -46.292   1.392 -10.469
  985    H    HIS 131           HN       HIS 131 -40.774   2.403 -13.679
  986    HA   HIS 131           HA       HIS 131 -38.501   4.226 -14.008
  987   1HB   HIS 131          HB2       HIS 131 -37.046   2.379 -14.709
  988   2HB   HIS 131          HB1       HIS 131 -37.593   2.159 -13.050
  989    HD1  HIS 131           HD1      HIS 131 -39.261   0.218 -12.597
  990    HD2  HIS 131           HD2      HIS 131 -37.899   0.439 -16.517
  991    HE1  HIS 131           HE1      HIS 131 -39.898  -1.973 -13.655
  992    HE2  HIS 131           HE2      HIS 131 -39.141  -1.781 -16.050
  993    H    HIS 132           HN       HIS 132 -37.527   3.886 -16.292
  994    HA   HIS 132           HA       HIS 132 -39.756   4.033 -18.160
  995   1HB   HIS 132          HB2       HIS 132 -36.826   4.611 -18.642
  996   2HB   HIS 132          HB1       HIS 132 -38.168   5.034 -19.700
  997    HD1  HIS 132           HD1      HIS 132 -39.293   7.239 -19.289
  998    HD2  HIS 132           HD2      HIS 132 -36.788   6.119 -16.169
  999    HE1  HIS 132           HE1      HIS 132 -39.185   9.235 -17.763
 1000    HE2  HIS 132           HE2      HIS 132 -37.620   8.554 -15.911
  Start of MODEL   23
    1   1H    MET   0           HT1      MET   0  35.173  -0.874  -3.296
    2   2H    MET   0           HT2      MET   0  35.923  -2.390  -3.317
    3   3H    MET   0           HT3      MET   0  34.791  -2.025  -2.114
    4    HA   MET   0           HA       MET   0  34.241  -2.288  -5.013
    5   1HB   MET   0          HB2       MET   0  34.644  -4.437  -3.915
    6   2HB   MET   0          HB1       MET   0  33.482  -4.032  -2.659
    7   1HG   MET   0          HG2       MET   0  31.705  -3.968  -4.366
    8   2HG   MET   0          HG1       MET   0  32.887  -4.463  -5.578
    9   1HE   MET   0          HE1       MET   0  34.671  -6.513  -3.874
   10   2HE   MET   0          HE2       MET   0  34.149  -6.810  -5.532
   11   3HE   MET   0          HE3       MET   0  33.885  -8.036  -4.292
   12    H    ASN   1           HN       ASN   1  32.611  -2.256  -1.840
   13    HA   ASN   1           HA       ASN   1  30.717  -1.251  -1.106
   14   1HB   ASN   1          HB2       ASN   1  31.914   0.662  -2.941
   15   2HB   ASN   1          HB1       ASN   1  30.162   0.829  -2.865
   16   1HD2  ASN   1          HD21      ASN   1  29.686   0.107  -0.262
   17   2HD2  ASN   1          HD22      ASN   1  30.379   1.281   0.798
   18    H    CYS   2           HN       CYS   2  28.428  -0.571  -1.818
   19    HA   CYS   2           HA       CYS   2  27.508  -2.644  -3.627
   20   1HB   CYS   2          HB2       CYS   2  26.301  -1.016  -1.478
   21   2HB   CYS   2          HB1       CYS   2  25.226  -1.472  -2.795
   22    H    GLY   3           HN       GLY   3  28.146   0.691  -3.785
   23   1HA   GLY   3          HA2       GLY   3  28.114   1.911  -5.813
   24   2HA   GLY   3          HA1       GLY   3  26.906   0.795  -6.436
   25    HA   PRO   4           HA       PRO   4  25.276   5.044  -4.563
   26   1HB   PRO   4          HB2       PRO   4  24.565   5.241  -7.464
   27   2HB   PRO   4          HB1       PRO   4  24.967   6.525  -6.316
   28   1HG   PRO   4          HG2       PRO   4  26.771   5.696  -8.084
   29   2HG   PRO   4          HG1       PRO   4  27.248   6.081  -6.421
   30   1HD   PRO   4          HD2       PRO   4  26.933   3.426  -7.736
   31   2HD   PRO   4          HD1       PRO   4  28.061   3.932  -6.462
   32    HA   PRO   5           HA       PRO   5  21.589   2.589  -3.888
   33   1HB   PRO   5          HB2       PRO   5  20.594   5.370  -3.396
   34   2HB   PRO   5          HB1       PRO   5  20.307   3.895  -2.464
   35   1HG   PRO   5          HG2       PRO   5  22.097   5.686  -1.646
   36   2HG   PRO   5          HG1       PRO   5  22.414   3.949  -1.489
   37   1HD   PRO   5          HD2       PRO   5  23.581   5.922  -3.373
   38   2HD   PRO   5          HD1       PRO   5  24.282   4.427  -2.723
   39    HA   PRO   6           HA       PRO   6  19.959   3.325  -8.078
   40   1HB   PRO   6          HB2       PRO   6  18.409   1.042  -7.986
   41   2HB   PRO   6          HB1       PRO   6  20.084   1.085  -8.541
   42   1HG   PRO   6          HG2       PRO   6  18.976   0.279  -5.888
   43   2HG   PRO   6          HG1       PRO   6  20.306  -0.440  -6.814
   44   1HD   PRO   6          HD2       PRO   6  20.751   1.159  -4.704
   45   2HD   PRO   6          HD1       PRO   6  21.822   1.162  -6.121
   46    H    THR   7           HN       THR   7  17.561   2.769  -8.786
   47    HA   THR   7           HA       THR   7  15.850   4.325  -6.996
   48    HB   THR   7           HB       THR   7  16.108   5.133  -9.322
   49    HG1  THR   7           HG1      THR   7  13.450   4.208  -9.050
   50   1HG2  THR   7          HG21      THR   7  14.726   2.552 -10.060
   51   2HG2  THR   7          HG22      THR   7  16.385   2.996 -10.461
   52   3HG2  THR   7          HG23      THR   7  15.037   3.896 -11.157
   53    H    LEU   8           HN       LEU   8  14.206   3.404  -5.948
   54    HA   LEU   8           HA       LEU   8  13.456   0.665  -6.693
   55   1HB   LEU   8          HB2       LEU   8  13.010   2.040  -4.045
   56   2HB   LEU   8          HB1       LEU   8  12.805   0.336  -4.403
   57    HG   LEU   8           HG       LEU   8  15.312   0.296  -4.882
   58   1HD1  LEU   8          HD11      LEU   8  15.930   2.526  -5.107
   59   2HD1  LEU   8          HD12      LEU   8  16.515   2.092  -3.501
   60   3HD1  LEU   8          HD13      LEU   8  15.027   3.020  -3.675
   61   1HD2  LEU   8          HD21      LEU   8  14.322  -0.690  -2.887
   62   2HD2  LEU   8          HD22      LEU   8  14.349   0.881  -2.084
   63   3HD2  LEU   8          HD23      LEU   8  15.863   0.079  -2.504
   64    H    SER   9           HN       SER   9  11.615   0.626  -7.839
   65    HA   SER   9           HA       SER   9   9.767   2.743  -7.923
   66   1HB   SER   9          HB2       SER   9   8.318   1.217  -9.161
   67   2HB   SER   9          HB1       SER   9   9.984   1.008  -9.700
   68    HG   SER   9           HG       SER   9   9.990  -0.958  -8.933
   69    H    PHE  10           HN       PHE  10  10.296   0.342  -5.592
   70    HA   PHE  10           HA       PHE  10   7.583   0.354  -4.563
   71   1HB   PHE  10          HB2       PHE  10   9.903  -0.837  -3.091
   72   2HB   PHE  10          HB1       PHE  10   8.226  -1.363  -3.131
   73    HD1  PHE  10           HD1      PHE  10  11.492  -1.772  -4.520
   74    HD2  PHE  10           HD2      PHE  10   7.353  -2.455  -5.236
   75    HE1  PHE  10           HE1      PHE  10  12.068  -3.468  -6.207
   76    HE2  PHE  10           HE2      PHE  10   7.922  -4.152  -6.924
   77    HZ   PHE  10           HZ       PHE  10  10.282  -4.662  -7.407
   78    H    ALA  11           HN       ALA  11  10.303   2.297  -4.274
   79    HA   ALA  11           HA       ALA  11   9.152   3.659  -1.960
   80   1HB   ALA  11          HB1       ALA  11  11.271   3.663  -0.753
   81   2HB   ALA  11          HB2       ALA  11  11.956   2.581  -1.965
   82   3HB   ALA  11          HB3       ALA  11  10.616   2.040  -0.955
   83    H    ALA  12           HN       ALA  12  10.028   5.712  -1.563
   84    HA   ALA  12           HA       ALA  12  11.666   6.842  -3.728
   85   1HB   ALA  12          HB1       ALA  12  10.527   8.987  -3.275
   86   2HB   ALA  12          HB2       ALA  12   9.515   8.177  -2.080
   87   3HB   ALA  12          HB3       ALA  12   9.407   7.722  -3.780
   88    HA   PRO  13           HA       PRO  13  14.880   7.643  -0.778
   89   1HB   PRO  13          HB2       PRO  13  15.114  10.234  -2.241
   90   2HB   PRO  13          HB1       PRO  13  16.367   9.059  -1.826
   91   1HG   PRO  13          HG2       PRO  13  15.436   9.202  -4.310
   92   2HG   PRO  13          HG1       PRO  13  15.785   7.630  -3.567
   93   1HD   PRO  13          HD2       PRO  13  13.155   8.956  -4.055
   94   2HD   PRO  13          HD1       PRO  13  13.584   7.235  -4.138
   95    H    MET  14           HN       MET  14  15.073   8.644   1.175
   96    HA   MET  14           HA       MET  14  13.619  11.118   1.684
   97   1HB   MET  14          HB2       MET  14  13.076   8.540   3.144
   98   2HB   MET  14          HB1       MET  14  12.581  10.117   3.745
   99   1HG   MET  14          HG2       MET  14  11.718   8.890   1.138
  100   2HG   MET  14          HG1       MET  14  10.763   8.936   2.619
  101   1HE   MET  14          HE1       MET  14  10.031  12.734   3.053
  102   2HE   MET  14          HE2       MET  14  11.311  11.778   3.800
  103   3HE   MET  14          HE3       MET  14   9.689  11.105   3.637
  104    H    ASP  15           HN       ASP  15  16.254   9.153   2.144
  105    HA   ASP  15           HA       ASP  15  17.192  10.809   4.386
  106   1HB   ASP  15          HB2       ASP  15  16.657   8.413   5.044
  107   2HB   ASP  15          HB1       ASP  15  17.968   7.914   3.978
  108    H    ILE  16           HN       ILE  16  19.637   8.765   3.720
  109    HA   ILE  16           HA       ILE  16  21.690   9.196   2.829
  110    HB   ILE  16           HB       ILE  16  20.904   7.823   1.102
  111   1HG1  ILE  16          HG12      ILE  16  21.810  10.350  -0.275
  112   2HG1  ILE  16          HG11      ILE  16  22.890   9.202   0.512
  113   1HG2  ILE  16          HG21      ILE  16  19.303  10.164   0.091
  114   2HG2  ILE  16          HG22      ILE  16  18.681   8.685   0.825
  115   3HG2  ILE  16          HG23      ILE  16  19.475   8.622  -0.749
  116   1HD1  ILE  16          HD11      ILE  16  22.813   8.934  -1.927
  117   2HD1  ILE  16          HD12      ILE  16  21.092   8.563  -1.815
  118   3HD1  ILE  16          HD13      ILE  16  22.277   7.489  -1.069
  119    H    THR  17           HN       THR  17  22.360  11.086   3.645
  120    HA   THR  17           HA       THR  17  21.526  13.641   2.725
  121    HB   THR  17           HB       THR  17  24.155  13.177   4.082
  122    HG1  THR  17           HG1      THR  17  21.553  12.981   5.233
  123   1HG2  THR  17          HG21      THR  17  23.697  15.285   5.144
  124   2HG2  THR  17          HG22      THR  17  22.051  15.301   4.514
  125   3HG2  THR  17          HG23      THR  17  23.418  15.473   3.413
  126    H    LEU  18           HN       LEU  18  22.580  11.829   0.667
  127    HA   LEU  18           HA       LEU  18  24.181  11.651  -0.959
  128   1HB   LEU  18          HB2       LEU  18  22.759  14.230  -0.964
  129   2HB   LEU  18          HB1       LEU  18  24.076  14.039  -2.090
  130    HG   LEU  18           HG       LEU  18  22.059  13.449  -3.235
  131   1HD1  LEU  18          HD11      LEU  18  23.631  11.017  -2.404
  132   2HD1  LEU  18          HD12      LEU  18  23.926  12.051  -3.804
  133   3HD1  LEU  18          HD13      LEU  18  22.477  11.047  -3.738
  134   1HD2  LEU  18          HD21      LEU  18  20.469  11.882  -2.423
  135   2HD2  LEU  18          HD22      LEU  18  20.793  13.005  -1.099
  136   3HD2  LEU  18          HD23      LEU  18  21.525  11.401  -1.095
  137    H    THR  19           HN       THR  19  25.544  11.988   1.369
  138    HA   THR  19           HA       THR  19  27.559  14.041   0.879
  139    HB   THR  19           HB       THR  19  27.243  14.218   3.109
  140    HG1  THR  19           HG1      THR  19  28.683  11.850   3.532
  141   1HG2  THR  19          HG21      THR  19  26.187  12.632   4.489
  142   2HG2  THR  19          HG22      THR  19  26.631  11.296   3.428
  143   3HG2  THR  19          HG23      THR  19  25.410  12.462   2.912
  144    H    GLU  20           HN       GLU  20  26.965  10.694   0.621
  145    HA   GLU  20           HA       GLU  20  29.695  10.255  -0.340
  146   1HB   GLU  20          HB2       GLU  20  29.499   9.426   2.012
  147   2HB   GLU  20          HB1       GLU  20  28.236   8.326   1.475
  148   1HG   GLU  20          HG2       GLU  20  30.374   7.191   1.663
  149   2HG   GLU  20          HG1       GLU  20  29.814   7.215  -0.008
  150    H    THR  21           HN       THR  21  29.733   9.233  -2.248
  151    HA   THR  21           HA       THR  21  27.256   8.525  -3.519
  152    HB   THR  21           HB       THR  21  29.891   7.830  -4.732
  153    HG1  THR  21           HG1      THR  21  29.076  10.452  -5.098
  154   1HG2  THR  21          HG21      THR  21  27.742   7.438  -5.912
  155   2HG2  THR  21          HG22      THR  21  28.805   8.554  -6.767
  156   3HG2  THR  21          HG23      THR  21  27.430   9.172  -5.853
  157    H    ARG  22           HN       ARG  22  29.353   6.859  -1.513
  158    HA   ARG  22           HA       ARG  22  28.446   4.263  -2.575
  159   1HB   ARG  22          HB2       ARG  22  31.073   4.889  -1.243
  160   2HB   ARG  22          HB1       ARG  22  30.532   3.288  -1.726
  161   1HG   ARG  22          HG2       ARG  22  30.547   3.935  -4.050
  162   2HG   ARG  22          HG1       ARG  22  30.962   5.594  -3.613
  163   1HD   ARG  22          HD2       ARG  22  33.081   4.814  -2.671
  164   2HD   ARG  22          HD1       ARG  22  32.666   3.157  -3.112
  165    HE   ARG  22           HE       ARG  22  32.548   4.800  -5.397
  166   1HH1  ARG  22          HH11      ARG  22  34.856   3.393  -3.197
  167   2HH1  ARG  22          HH12      ARG  22  36.130   3.334  -4.368
  168   1HH2  ARG  22          HH21      ARG  22  34.219   4.727  -6.944
  169   2HH2  ARG  22          HH22      ARG  22  35.768   4.094  -6.498
  170    H    PHE  23           HN       PHE  23  28.418   2.520  -0.819
  171    HA   PHE  23           HA       PHE  23  28.126   3.466   1.896
  172   1HB   PHE  23          HB2       PHE  23  25.746   2.336   0.396
  173   2HB   PHE  23          HB1       PHE  23  25.798   2.650   2.126
  174    HD1  PHE  23           HD1      PHE  23  25.387   4.808   2.993
  175    HD2  PHE  23           HD2      PHE  23  25.873   4.250  -1.197
  176    HE1  PHE  23           HE1      PHE  23  24.615   7.111   2.597
  177    HE2  PHE  23           HE2      PHE  23  25.117   6.548  -1.596
  178    HZ   PHE  23           HZ       PHE  23  24.477   7.984   0.300
  179    H    LYS  24           HN       LYS  24  29.302   1.983   2.929
  180    HA   LYS  24           HA       LYS  24  30.037  -0.544   2.079
  181   1HB   LYS  24          HB2       LYS  24  30.369  -0.973   4.607
  182   2HB   LYS  24          HB1       LYS  24  31.318   0.270   3.805
  183   1HG   LYS  24          HG2       LYS  24  29.697   1.960   4.630
  184   2HG   LYS  24          HG1       LYS  24  28.894   0.678   5.539
  185   1HD   LYS  24          HD2       LYS  24  30.934   0.255   6.790
  186   2HD   LYS  24          HD1       LYS  24  31.786   1.479   5.847
  187   1HE   LYS  24          HE2       LYS  24  31.134   2.379   8.003
  188   2HE   LYS  24          HE1       LYS  24  30.258   3.192   6.707
  189   1HZ   LYS  24          HZ1       LYS  24  29.204   1.054   8.476
  190   2HZ   LYS  24          HZ2       LYS  24  28.362   1.720   7.169
  191   3HZ   LYS  24          HZ3       LYS  24  28.764   2.688   8.497
  192    H    THR  25           HN       THR  25  29.597  -2.616   3.410
  193    HA   THR  25           HA       THR  25  26.912  -3.370   2.922
  194    HB   THR  25           HB       THR  25  27.728  -5.432   4.376
  195    HG1  THR  25           HG1      THR  25  29.690  -4.487   5.020
  196   1HG2  THR  25          HG21      THR  25  27.170  -5.396   1.936
  197   2HG2  THR  25          HG22      THR  25  28.478  -6.503   2.348
  198   3HG2  THR  25          HG23      THR  25  28.841  -4.940   1.612
  199    H    GLY  26           HN       GLY  26  28.133  -1.603   5.413
  200   1HA   GLY  26          HA2       GLY  26  26.186  -2.664   7.367
  201   2HA   GLY  26          HA1       GLY  26  27.617  -1.730   7.790
  202    H    THR  27           HN       THR  27  25.715  -0.904   5.071
  203    HA   THR  27           HA       THR  27  24.916   1.607   6.380
  204    HB   THR  27           HB       THR  27  26.227   1.529   4.132
  205    HG1  THR  27           HG1      THR  27  24.445   3.267   3.444
  206   1HG2  THR  27          HG21      THR  27  24.417  -0.113   3.229
  207   2HG2  THR  27          HG22      THR  27  25.055   1.143   2.167
  208   3HG2  THR  27          HG23      THR  27  23.482   1.360   2.945
  209    H    THR  28           HN       THR  28  22.767   2.489   5.799
  210    HA   THR  28           HA       THR  28  20.778   0.730   4.753
  211    HB   THR  28           HB       THR  28  20.859   1.216   7.732
  212    HG1  THR  28           HG1      THR  28  21.264  -0.864   7.797
  213   1HG2  THR  28          HG21      THR  28  18.606   1.744   6.887
  214   2HG2  THR  28          HG22      THR  28  18.618   0.286   7.878
  215   3HG2  THR  28          HG23      THR  28  18.535   0.156   6.121
  216    H    LEU  29           HN       LEU  29  19.342   1.950   3.759
  217    HA   LEU  29           HA       LEU  29  19.254   4.794   4.370
  218   1HB   LEU  29          HB2       LEU  29  18.092   3.206   2.086
  219   2HB   LEU  29          HB1       LEU  29  17.888   4.934   2.275
  220    HG   LEU  29           HG       LEU  29  19.614   4.498   0.651
  221   1HD1  LEU  29          HD11      LEU  29  20.824   5.460   3.237
  222   2HD1  LEU  29          HD12      LEU  29  19.921   6.444   2.086
  223   3HD1  LEU  29          HD13      LEU  29  21.469   5.741   1.619
  224   1HD2  LEU  29          HD21      LEU  29  21.072   2.987   2.806
  225   2HD2  LEU  29          HD22      LEU  29  21.630   3.282   1.158
  226   3HD2  LEU  29          HD23      LEU  29  20.225   2.254   1.444
  227    H    LYS  30           HN       LYS  30  16.747   5.498   3.508
  228    HA   LYS  30           HA       LYS  30  14.993   4.277   5.530
  229   1HB   LYS  30          HB2       LYS  30  15.727   6.948   5.224
  230   2HB   LYS  30          HB1       LYS  30  14.109   6.864   4.533
  231   1HG   LYS  30          HG2       LYS  30  14.914   6.013   7.310
  232   2HG   LYS  30          HG1       LYS  30  13.998   7.456   6.873
  233   1HD   LYS  30          HD2       LYS  30  12.186   6.072   6.019
  234   2HD   LYS  30          HD1       LYS  30  13.108   4.614   6.394
  235   1HE   LYS  30          HE2       LYS  30  12.144   6.654   8.395
  236   2HE   LYS  30          HE1       LYS  30  11.413   5.076   8.100
  237   1HZ   LYS  30          HZ1       LYS  30  13.511   4.046   8.787
  238   2HZ   LYS  30          HZ2       LYS  30  12.838   4.986  10.022
  239   3HZ   LYS  30          HZ3       LYS  30  14.152   5.573   9.136
  240    H    TYR  31           HN       TYR  31  14.183   6.449   2.880
  241    HA   TYR  31           HA       TYR  31  12.796   6.275   1.100
  242   1HB   TYR  31          HB2       TYR  31  13.611   3.391   1.379
  243   2HB   TYR  31          HB1       TYR  31  12.506   3.926   0.117
  244    HD1  TYR  31           HD1      TYR  31  15.922   4.476   1.478
  245    HD2  TYR  31           HD2      TYR  31  13.335   4.823  -1.882
  246    HE1  TYR  31           HE1      TYR  31  17.843   5.081   0.068
  247    HE2  TYR  31           HE2      TYR  31  15.250   5.429  -3.301
  248    HH   TYR  31           HH       TYR  31  17.489   6.348  -3.081
  249    H    THR  32           HN       THR  32  10.656   6.240   0.756
  250    HA   THR  32           HA       THR  32   8.970   4.737   2.657
  251    HB   THR  32           HB       THR  32   8.701   7.000   3.291
  252    HG1  THR  32           HG1      THR  32   6.527   7.377   2.731
  253   1HG2  THR  32          HG21      THR  32   9.792   8.013   1.343
  254   2HG2  THR  32          HG22      THR  32   8.270   8.818   1.725
  255   3HG2  THR  32          HG23      THR  32   8.354   7.690   0.373
  256    H    CYS  33           HN       CYS  33   6.792   4.168   1.774
  257    HA   CYS  33           HA       CYS  33   7.049   3.673  -1.111
  258   1HB   CYS  33          HB2       CYS  33   5.356   1.813  -0.627
  259   2HB   CYS  33          HB1       CYS  33   7.015   1.592  -0.089
  260    H    LEU  34           HN       LEU  34   5.523   3.952  -2.483
  261    HA   LEU  34           HA       LEU  34   3.908   6.174  -2.383
  262   1HB   LEU  34          HB2       LEU  34   3.421   3.759  -4.118
  263   2HB   LEU  34          HB1       LEU  34   2.939   5.414  -4.455
  264    HG   LEU  34           HG       LEU  34   5.821   4.531  -4.197
  265   1HD1  LEU  34          HD11      LEU  34   4.216   4.982  -6.710
  266   2HD1  LEU  34          HD12      LEU  34   4.734   3.412  -6.093
  267   3HD1  LEU  34          HD13      LEU  34   5.935   4.593  -6.615
  268   1HD2  LEU  34          HD21      LEU  34   5.351   6.916  -3.766
  269   2HD2  LEU  34          HD22      LEU  34   4.627   7.037  -5.370
  270   3HD2  LEU  34          HD23      LEU  34   6.342   6.654  -5.202
  271    HA   PRO  35           HA       PRO  35   0.115   5.556  -0.310
  272   1HB   PRO  35          HB2       PRO  35  -1.325   6.037  -2.867
  273   2HB   PRO  35          HB1       PRO  35  -1.522   6.823  -1.296
  274   1HG   PRO  35          HG2       PRO  35  -0.250   8.064  -3.273
  275   2HG   PRO  35          HG1       PRO  35   0.333   8.188  -1.602
  276   1HD   PRO  35          HD2       PRO  35   1.399   6.563  -3.870
  277   2HD   PRO  35          HD1       PRO  35   2.275   7.413  -2.582
  278    H    GLY  36           HN       GLY  36   0.335   3.843  -3.394
  279   1HA   GLY  36          HA2       GLY  36  -1.714   1.962  -2.524
  280   2HA   GLY  36          HA1       GLY  36  -0.954   2.012  -4.105
  281    H    TYR  37           HN       TYR  37   1.496   2.212  -1.956
  282    HA   TYR  37           HA       TYR  37   2.149  -0.588  -2.300
  283   1HB   TYR  37          HB2       TYR  37   3.637   1.892  -1.623
  284   2HB   TYR  37          HB1       TYR  37   4.259   0.395  -0.938
  285    HD1  TYR  37           HD1      TYR  37   4.119   2.474  -3.846
  286    HD2  TYR  37           HD2      TYR  37   4.775  -1.520  -2.532
  287    HE1  TYR  37           HE1      TYR  37   5.238   1.960  -5.977
  288    HE2  TYR  37           HE2      TYR  37   5.885  -2.044  -4.660
  289    HH   TYR  37           HH       TYR  37   6.845   0.341  -6.877
  290    H    VAL  38           HN       VAL  38   0.689  -1.608  -0.810
  291    HA   VAL  38           HA       VAL  38   0.533  -0.988   1.894
  292    HB   VAL  38           HB       VAL  38  -0.344  -3.067   0.023
  293   1HG1  VAL  38          HG11      VAL  38  -0.935  -4.759   1.582
  294   2HG1  VAL  38          HG12      VAL  38  -0.276  -3.822   2.930
  295   3HG1  VAL  38          HG13      VAL  38   0.804  -4.477   1.697
  296   1HG2  VAL  38          HG21      VAL  38  -1.727  -1.921   2.429
  297   2HG2  VAL  38          HG22      VAL  38  -2.458  -2.708   1.026
  298   3HG2  VAL  38          HG23      VAL  38  -1.673  -1.138   0.848
  299    H    ARG  39           HN       ARG  39   1.366  -2.207   3.722
  300    HA   ARG  39           HA       ARG  39   3.959  -3.446   3.095
  301   1HB   ARG  39          HB2       ARG  39   4.684  -2.689   5.363
  302   2HB   ARG  39          HB1       ARG  39   4.356  -1.390   4.227
  303   1HG   ARG  39          HG2       ARG  39   3.352  -0.588   6.117
  304   2HG   ARG  39          HG1       ARG  39   1.993  -1.402   5.339
  305   1HD   ARG  39          HD2       ARG  39   2.339  -3.358   6.744
  306   2HD   ARG  39          HD1       ARG  39   3.735  -2.588   7.496
  307    HE   ARG  39           HE       ARG  39   1.606  -0.870   7.869
  308   1HH1  ARG  39          HH11      ARG  39   2.437  -4.137   8.746
  309   2HH1  ARG  39          HH12      ARG  39   1.521  -4.114  10.215
  310   1HH2  ARG  39          HH21      ARG  39   0.396  -0.830   9.804
  311   2HH2  ARG  39          HH22      ARG  39   0.361  -2.235  10.816
  312    H    SER  40           HN       SER  40   4.529  -5.332   3.941
  313    HA   SER  40           HA       SER  40   2.542  -6.746   5.587
  314   1HB   SER  40          HB2       SER  40   3.090  -7.757   3.364
  315   2HB   SER  40          HB1       SER  40   4.767  -7.915   3.888
  316    HG   SER  40           HG       SER  40   3.620  -9.845   4.230
  317    H    HIS  41           HN       HIS  41   5.715  -5.492   5.415
  318    HA   HIS  41           HA       HIS  41   6.342  -6.564   8.086
  319   1HB   HIS  41          HB2       HIS  41   8.289  -6.033   5.826
  320   2HB   HIS  41          HB1       HIS  41   8.729  -6.548   7.450
  321    HD1  HIS  41           HD1      HIS  41   7.183  -7.807   4.277
  322    HD2  HIS  41           HD2      HIS  41   8.403  -9.261   7.973
  323    HE1  HIS  41           HE1      HIS  41   7.126 -10.311   4.065
  324    HE2  HIS  41           HE2      HIS  41   7.997 -11.165   6.270
  325    H    SER  42           HN       SER  42   6.412  -3.943   5.810
  326    HA   SER  42           HA       SER  42   6.438  -1.696   6.060
  327   1HB   SER  42          HB2       SER  42   4.994  -1.932   7.973
  328   2HB   SER  42          HB1       SER  42   6.365  -2.329   9.011
  329    HG   SER  42           HG       SER  42   5.513  -0.053   8.956
  330    H    THR  43           HN       THR  43   8.885  -3.679   7.309
  331    HA   THR  43           HA       THR  43  10.717  -1.658   8.128
  332    HB   THR  43           HB       THR  43  11.381  -4.443   7.153
  333    HG1  THR  43           HG1      THR  43   9.854  -4.161   9.033
  334   1HG2  THR  43          HG21      THR  43  13.422  -4.197   8.406
  335   2HG2  THR  43          HG22      THR  43  12.906  -2.625   9.020
  336   3HG2  THR  43          HG23      THR  43  13.273  -2.826   7.305
  337    H    GLN  44           HN       GLN  44  10.930  -0.082   6.573
  338    HA   GLN  44           HA       GLN  44  11.740  -0.873   3.874
  339   1HB   GLN  44          HB2       GLN  44  10.990   1.850   4.958
  340   2HB   GLN  44          HB1       GLN  44  11.305   1.461   3.272
  341   1HG   GLN  44          HG2       GLN  44   9.356   0.068   3.170
  342   2HG   GLN  44          HG1       GLN  44   9.081   0.258   4.901
  343   1HE2  GLN  44          HE21      GLN  44   8.978   1.830   1.793
  344   2HE2  GLN  44          HE22      GLN  44   7.968   3.145   2.272
  345    H    THR  45           HN       THR  45  13.897  -1.269   3.859
  346    HA   THR  45           HA       THR  45  15.646   0.938   4.477
  347    HB   THR  45           HB       THR  45  17.178  -0.531   5.853
  348    HG1  THR  45           HG1      THR  45  15.259  -2.320   5.312
  349   1HG2  THR  45          HG21      THR  45  16.052  -0.050   7.923
  350   2HG2  THR  45          HG22      THR  45  14.493   0.047   7.103
  351   3HG2  THR  45          HG23      THR  45  15.732   1.267   6.793
  352    H    LEU  46           HN       LEU  46  17.473   0.935   3.286
  353    HA   LEU  46           HA       LEU  46  17.832  -1.304   1.407
  354   1HB   LEU  46          HB2       LEU  46  18.115   1.619   1.169
  355   2HB   LEU  46          HB1       LEU  46  19.402   0.694   0.420
  356    HG   LEU  46           HG       LEU  46  16.455   0.411  -0.181
  357   1HD1  LEU  46          HD11      LEU  46  17.210   1.288  -2.427
  358   2HD1  LEU  46          HD12      LEU  46  18.716   1.755  -1.636
  359   3HD1  LEU  46          HD13      LEU  46  17.186   2.454  -1.104
  360   1HD2  LEU  46          HD21      LEU  46  18.865  -0.934  -1.391
  361   2HD2  LEU  46          HD22      LEU  46  17.224  -1.026  -2.029
  362   3HD2  LEU  46          HD23      LEU  46  17.593  -1.703  -0.442
  363    H    THR  47           HN       THR  47  19.177  -2.674   2.495
  364    HA   THR  47           HA       THR  47  21.611  -1.539   3.692
  365    HB   THR  47           HB       THR  47  20.701  -4.404   3.935
  366    HG1  THR  47           HG1      THR  47  20.070  -3.255   6.152
  367   1HG2  THR  47          HG21      THR  47  21.980  -4.139   6.121
  368   2HG2  THR  47          HG22      THR  47  22.589  -2.621   5.459
  369   3HG2  THR  47          HG23      THR  47  22.940  -4.143   4.641
  370    H    CYS  48           HN       CYS  48  23.679  -2.415   3.188
  371    HA   CYS  48           HA       CYS  48  23.798  -3.423   0.474
  372   1HB   CYS  48          HB2       CYS  48  25.309  -1.578   1.070
  373   2HB   CYS  48          HB1       CYS  48  25.982  -2.532   2.379
  374    H    ASN  49           HN       ASN  49  23.710  -5.535   0.174
  375    HA   ASN  49           HA       ASN  49  24.576  -7.315   2.312
  376   1HB   ASN  49          HB2       ASN  49  23.159  -8.898   1.456
  377   2HB   ASN  49          HB1       ASN  49  22.362  -7.452   0.845
  378   1HD2  ASN  49          HD21      ASN  49  22.636  -6.886  -1.347
  379   2HD2  ASN  49          HD22      ASN  49  23.087  -8.074  -2.520
  380    H    SER  50           HN       SER  50  25.402  -9.554   1.107
  381    HA   SER  50           HA       SER  50  27.888  -8.683  -0.179
  382   1HB   SER  50          HB2       SER  50  28.104  -9.975   1.911
  383   2HB   SER  50          HB1       SER  50  27.238 -11.320   1.166
  384    HG   SER  50           HG       SER  50  29.656 -10.229   0.163
  385    H    ASP  51           HN       ASP  51  25.952  -8.578  -1.948
  386    HA   ASP  51           HA       ASP  51  26.153 -11.043  -3.579
  387   1HB   ASP  51          HB2       ASP  51  23.845 -10.636  -2.860
  388   2HB   ASP  51          HB1       ASP  51  23.914  -9.008  -3.528
  389    H    GLY  52           HN       GLY  52  26.104  -7.533  -3.500
  390   1HA   GLY  52          HA2       GLY  52  28.009  -6.678  -5.042
  391   2HA   GLY  52          HA1       GLY  52  27.006  -7.406  -6.294
  392    H    GLU  53           HN       GLU  53  24.877  -6.569  -4.112
  393    HA   GLU  53           HA       GLU  53  24.749  -3.696  -4.549
  394   1HB   GLU  53          HB2       GLU  53  22.691  -3.678  -5.722
  395   2HB   GLU  53          HB1       GLU  53  23.734  -4.815  -6.567
  396   1HG   GLU  53          HG2       GLU  53  22.605  -6.672  -5.491
  397   2HG   GLU  53          HG1       GLU  53  21.584  -5.555  -4.599
  398    H    TRP  54           HN       TRP  54  21.969  -3.522  -4.038
  399    HA   TRP  54           HA       TRP  54  22.039  -3.717  -1.164
  400   1HB   TRP  54          HB2       TRP  54  19.907  -2.552  -2.948
  401   2HB   TRP  54          HB1       TRP  54  20.180  -2.220  -1.243
  402    HD1  TRP  54           HD1      TRP  54  21.749  -1.535  -4.693
  403    HE1  TRP  54           HE1      TRP  54  23.259   0.541  -4.498
  404    HE3  TRP  54           HE3      TRP  54  21.455  -0.811   0.337
  405    HZ2  TRP  54           HZ2      TRP  54  24.205   2.263  -2.462
  406    HZ3  TRP  54           HZ3      TRP  54  22.685   1.070   1.342
  407    HH2  TRP  54           HH2      TRP  54  24.032   2.574  -0.032
  408    H    VAL  55           HN       VAL  55  19.634  -3.935  -0.341
  409    HA   VAL  55           HA       VAL  55  18.127  -6.159  -1.381
  410    HB   VAL  55           HB       VAL  55  18.376  -7.495   0.735
  411   1HG1  VAL  55          HG11      VAL  55  20.762  -7.320  -1.096
  412   2HG1  VAL  55          HG12      VAL  55  19.306  -8.285  -1.350
  413   3HG1  VAL  55          HG13      VAL  55  20.400  -8.670  -0.019
  414   1HG2  VAL  55          HG21      VAL  55  20.430  -7.248   2.007
  415   2HG2  VAL  55          HG22      VAL  55  19.443  -5.788   2.067
  416   3HG2  VAL  55          HG23      VAL  55  20.868  -5.846   1.031
  417    H    TYR  56           HN       TYR  56  16.229  -6.465  -0.377
  418    HA   TYR  56           HA       TYR  56  15.539  -5.155   2.046
  419   1HB   TYR  56          HB2       TYR  56  13.744  -3.694   0.847
  420   2HB   TYR  56          HB1       TYR  56  15.418  -3.148   0.854
  421    HD1  TYR  56           HD1      TYR  56  12.638  -4.242  -1.203
  422    HD2  TYR  56           HD2      TYR  56  16.814  -3.423  -1.192
  423    HE1  TYR  56           HE1      TYR  56  12.623  -4.145  -3.661
  424    HE2  TYR  56           HE2      TYR  56  16.814  -3.324  -3.647
  425    HH   TYR  56           HH       TYR  56  15.426  -4.216  -5.523
  426    H    ASN  57           HN       ASN  57  15.023  -7.236  -0.468
  427    HA   ASN  57           HA       ASN  57  13.609  -8.930  -0.960
  428   1HB   ASN  57          HB2       ASN  57  12.931  -8.618   1.959
  429   2HB   ASN  57          HB1       ASN  57  12.464  -9.995   0.965
  430   1HD2  ASN  57          HD21      ASN  57  14.963  -9.957  -0.543
  431   2HD2  ASN  57          HD22      ASN  57  16.165 -10.608   0.512
  432    H    THR  58           HN       THR  58  12.341  -5.954  -0.353
  433    HA   THR  58           HA       THR  58  10.444  -5.065  -1.370
  434    HB   THR  58           HB       THR  58   9.253  -7.814  -1.059
  435    HG1  THR  58           HG1      THR  58  10.606  -7.951  -2.760
  436   1HG2  THR  58          HG21      THR  58   7.401  -6.966  -2.436
  437   2HG2  THR  58          HG22      THR  58   8.131  -5.360  -2.417
  438   3HG2  THR  58          HG23      THR  58   7.535  -6.076  -0.919
  439    H    PHE  59           HN       PHE  59  10.620  -3.910   0.574
  440    HA   PHE  59           HA       PHE  59   9.533  -4.772   3.025
  441   1HB   PHE  59          HB2       PHE  59   9.547  -2.154   3.406
  442   2HB   PHE  59          HB1       PHE  59  11.043  -3.084   3.339
  443    HD1  PHE  59           HD1      PHE  59  12.642  -2.729   1.664
  444    HD2  PHE  59           HD2      PHE  59   8.836  -0.847   1.395
  445    HE1  PHE  59           HE1      PHE  59  13.475  -1.317  -0.170
  446    HE2  PHE  59           HE2      PHE  59   9.662   0.568  -0.440
  447    HZ   PHE  59           HZ       PHE  59  11.984   0.333  -1.225
  448    H    CYS  60           HN       CYS  60   8.232  -2.498   0.599
  449    HA   CYS  60           HA       CYS  60   5.623  -2.727   1.919
  450   1HB   CYS  60          HB2       CYS  60   6.723  -0.695  -0.020
  451   2HB   CYS  60          HB1       CYS  60   5.022  -0.764   0.427
  452    H    ILE  61           HN       ILE  61   4.652  -4.496   1.155
  453    HA   ILE  61           HA       ILE  61   4.829  -5.291  -1.595
  454    HB   ILE  61           HB       ILE  61   4.664  -6.994   0.093
  455   1HG1  ILE  61          HG12      ILE  61   2.096  -6.894  -1.496
  456   2HG1  ILE  61          HG11      ILE  61   3.655  -7.425  -2.126
  457   1HG2  ILE  61          HG21      ILE  61   3.427  -5.732   1.772
  458   2HG2  ILE  61          HG22      ILE  61   2.679  -7.301   1.472
  459   3HG2  ILE  61          HG23      ILE  61   1.970  -5.840   0.785
  460   1HD1  ILE  61          HD11      ILE  61   2.200  -9.298  -1.536
  461   2HD1  ILE  61          HD12      ILE  61   2.155  -8.729   0.133
  462   3HD1  ILE  61          HD13      ILE  61   3.675  -9.278  -0.570
  463    H    TYR  62           HN       TYR  62   3.919  -3.846  -2.946
  464    HA   TYR  62           HA       TYR  62   1.575  -2.359  -2.537
  465   1HB   TYR  62          HB2       TYR  62   3.405  -2.105  -4.329
  466   2HB   TYR  62          HB1       TYR  62   2.475  -3.280  -5.253
  467    HD1  TYR  62           HD1      TYR  62  -0.237  -2.566  -5.146
  468    HD2  TYR  62           HD2      TYR  62   3.124   0.016  -4.975
  469    HE1  TYR  62           HE1      TYR  62  -1.631  -0.701  -5.951
  470    HE2  TYR  62           HE2      TYR  62   1.768   1.889  -5.768
  471    HH   TYR  62           HH       TYR  62  -0.209   2.437  -6.728
  472    H    LYS  63           HN       LYS  63  -0.393  -3.184  -2.171
  473    HA   LYS  63           HA       LYS  63  -1.587  -4.800  -4.229
  474   1HB   LYS  63          HB2       LYS  63  -2.422  -6.435  -2.462
  475   2HB   LYS  63          HB1       LYS  63  -0.748  -6.594  -2.973
  476   1HG   LYS  63          HG2       LYS  63  -0.071  -5.307  -0.963
  477   2HG   LYS  63          HG1       LYS  63  -1.756  -5.334  -0.434
  478   1HD   LYS  63          HD2       LYS  63  -1.669  -7.823  -0.558
  479   2HD   LYS  63          HD1       LYS  63   0.059  -7.701  -0.873
  480   1HE   LYS  63          HE2       LYS  63   0.325  -6.517   1.260
  481   2HE   LYS  63          HE1       LYS  63  -1.395  -6.725   1.576
  482   1HZ   LYS  63          HZ1       LYS  63  -0.057  -8.399   2.705
  483   2HZ   LYS  63          HZ2       LYS  63   0.565  -8.930   1.223
  484   3HZ   LYS  63          HZ3       LYS  63  -1.082  -9.112   1.563
  485    H    ARG  64           HN       ARG  64  -3.445  -3.843  -4.647
  486    HA   ARG  64           HA       ARG  64  -4.963  -2.688  -2.409
  487   1HB   ARG  64          HB2       ARG  64  -4.577  -1.601  -5.195
  488   2HB   ARG  64          HB1       ARG  64  -5.772  -0.981  -4.065
  489   1HG   ARG  64          HG2       ARG  64  -4.155  -0.112  -2.638
  490   2HG   ARG  64          HG1       ARG  64  -2.877  -1.121  -3.321
  491   1HD   ARG  64          HD2       ARG  64  -2.738   1.266  -3.986
  492   2HD   ARG  64          HD1       ARG  64  -2.864   0.151  -5.344
  493    HE   ARG  64           HE       ARG  64  -5.439   0.898  -4.830
  494   1HH1  ARG  64          HH11      ARG  64  -2.482   2.598  -5.540
  495   2HH1  ARG  64          HH12      ARG  64  -3.279   3.914  -6.336
  496   1HH2  ARG  64          HH21      ARG  64  -6.496   2.625  -5.875
  497   2HH2  ARG  64          HH22      ARG  64  -5.560   3.930  -6.525
  498    H    CYS  65           HN       CYS  65  -7.296  -2.489  -2.814
  499    HA   CYS  65           HA       CYS  65  -8.286  -4.853  -4.226
  500   1HB   CYS  65          HB2       CYS  65  -9.891  -3.053  -2.416
  501   2HB   CYS  65          HB1       CYS  65 -10.212  -4.728  -2.850
  502    H    ARG  66           HN       ARG  66  -9.680  -4.686  -5.959
  503    HA   ARG  66           HA       ARG  66  -9.623  -2.349  -7.438
  504   1HB   ARG  66          HB2       ARG  66 -10.121  -4.500  -8.484
  505   2HB   ARG  66          HB1       ARG  66 -11.619  -4.627  -7.576
  506   1HG   ARG  66          HG2       ARG  66 -12.249  -3.981  -9.736
  507   2HG   ARG  66          HG1       ARG  66 -12.351  -2.510  -8.764
  508   1HD   ARG  66          HD2       ARG  66 -11.293  -1.928 -10.812
  509   2HD   ARG  66          HD1       ARG  66 -10.049  -1.933  -9.563
  510    HE   ARG  66           HE       ARG  66 -10.027  -4.454 -10.689
  511   1HH1  ARG  66          HH11      ARG  66  -9.503  -1.178 -11.752
  512   2HH1  ARG  66          HH12      ARG  66  -8.397  -1.628 -13.008
  513   1HH2  ARG  66          HH21      ARG  66  -8.575  -5.054 -12.339
  514   2HH2  ARG  66          HH22      ARG  66  -7.870  -3.831 -13.342
  515    H    HIS  67           HN       HIS  67 -10.914  -0.566  -7.556
  516    HA   HIS  67           HA       HIS  67 -12.358   0.189  -5.272
  517   1HB   HIS  67          HB2       HIS  67 -11.325   1.790  -6.855
  518   2HB   HIS  67          HB1       HIS  67 -12.536   1.359  -8.058
  519    HD1  HIS  67           HD1      HIS  67 -12.501   2.721  -4.501
  520    HD2  HIS  67           HD2      HIS  67 -14.652   3.033  -8.041
  521    HE1  HIS  67           HE1      HIS  67 -14.259   4.466  -4.066
  522    HE2  HIS  67           HE2      HIS  67 -15.603   4.574  -6.194
  523    HA   PRO  68           HA       PRO  68 -16.113  -2.231  -5.855
  524   1HB   PRO  68          HB2       PRO  68 -17.132   0.017  -4.176
  525   2HB   PRO  68          HB1       PRO  68 -17.378  -1.724  -3.990
  526   1HG   PRO  68          HG2       PRO  68 -15.665  -0.395  -2.434
  527   2HG   PRO  68          HG1       PRO  68 -15.306  -2.038  -3.004
  528   1HD   PRO  68          HD2       PRO  68 -14.149   0.559  -3.874
  529   2HD   PRO  68          HD1       PRO  68 -13.417  -1.058  -3.858
  530    H    GLY  69           HN       GLY  69 -15.793   1.239  -6.324
  531   1HA   GLY  69          HA2       GLY  69 -16.499   2.219  -8.398
  532   2HA   GLY  69          HA1       GLY  69 -17.783   1.023  -8.478
  533    H    GLU  70           HN       GLU  70 -19.077   2.891  -8.942
  534    HA   GLU  70           HA       GLU  70 -19.577   4.808  -6.823
  535   1HB   GLU  70          HB2       GLU  70 -19.664   5.565  -9.158
  536   2HB   GLU  70          HB1       GLU  70 -20.932   4.395  -9.496
  537   1HG   GLU  70          HG2       GLU  70 -22.391   5.556  -7.884
  538   2HG   GLU  70          HG1       GLU  70 -21.127   6.764  -7.651
  539    H    LEU  71           HN       LEU  71 -21.204   4.889  -5.462
  540    HA   LEU  71           HA       LEU  71 -22.900   2.511  -5.244
  541   1HB   LEU  71          HB2       LEU  71 -21.522   3.735  -3.328
  542   2HB   LEU  71          HB1       LEU  71 -22.939   4.762  -3.270
  543    HG   LEU  71           HG       LEU  71 -22.890   1.777  -2.799
  544   1HD1  LEU  71          HD11      LEU  71 -23.366   2.315  -0.506
  545   2HD1  LEU  71          HD12      LEU  71 -23.428   4.037  -0.883
  546   3HD1  LEU  71          HD13      LEU  71 -21.900   3.162  -1.004
  547   1HD2  LEU  71          HD21      LEU  71 -25.167   3.746  -2.800
  548   2HD2  LEU  71          HD22      LEU  71 -25.253   2.154  -2.044
  549   3HD2  LEU  71          HD23      LEU  71 -24.993   2.293  -3.785
  550    H    ARG  72           HN       ARG  72 -24.553   2.814  -6.733
  551    HA   ARG  72           HA       ARG  72 -25.785   5.332  -7.168
  552   1HB   ARG  72          HB2       ARG  72 -26.048   3.595  -8.861
  553   2HB   ARG  72          HB1       ARG  72 -26.790   2.512  -7.689
  554   1HG   ARG  72          HG2       ARG  72 -28.748   3.883  -7.567
  555   2HG   ARG  72          HG1       ARG  72 -28.001   5.117  -8.587
  556   1HD   ARG  72          HD2       ARG  72 -28.708   2.299  -9.401
  557   2HD   ARG  72          HD1       ARG  72 -29.550   3.771  -9.885
  558    HE   ARG  72           HE       ARG  72 -27.046   4.235 -10.744
  559   1HH1  ARG  72          HH11      ARG  72 -29.181   1.506 -11.121
  560   2HH1  ARG  72          HH12      ARG  72 -28.537   1.051 -12.661
  561   1HH2  ARG  72          HH21      ARG  72 -26.192   3.642 -12.773
  562   2HH2  ARG  72          HH22      ARG  72 -26.838   2.264 -13.602
  563    H    ASN  73           HN       ASN  73 -27.096   6.450  -6.092
  564    HA   ASN  73           HA       ASN  73 -28.419   7.186  -4.398
  565   1HB   ASN  73          HB2       ASN  73 -29.302   4.291  -4.136
  566   2HB   ASN  73          HB1       ASN  73 -30.159   5.708  -3.538
  567   1HD2  ASN  73          HD21      ASN  73 -31.034   3.617  -5.363
  568   2HD2  ASN  73          HD22      ASN  73 -31.509   4.419  -6.818
  569    H    GLY  74           HN       GLY  74 -25.835   6.876  -3.796
  570   1HA   GLY  74          HA2       GLY  74 -25.821   6.440  -1.043
  571   2HA   GLY  74          HA1       GLY  74 -25.169   5.007  -1.818
  572    H    GLN  75           HN       GLN  75 -23.421   5.989  -0.274
  573    HA   GLN  75           HA       GLN  75 -21.602   7.503  -2.005
  574   1HB   GLN  75          HB2       GLN  75 -22.104   8.077   0.917
  575   2HB   GLN  75          HB1       GLN  75 -20.784   8.767  -0.017
  576   1HG   GLN  75          HG2       GLN  75 -22.428   9.804  -1.525
  577   2HG   GLN  75          HG1       GLN  75 -23.725   9.161  -0.521
  578   1HE2  GLN  75          HE21      GLN  75 -24.085  10.036   1.516
  579   2HE2  GLN  75          HE22      GLN  75 -23.426  11.560   1.992
  580    H    VAL  76           HN       VAL  76 -19.532   6.873  -1.988
  581    HA   VAL  76           HA       VAL  76 -18.876   4.527  -0.333
  582    HB   VAL  76           HB       VAL  76 -17.697   5.436  -2.959
  583   1HG1  VAL  76          HG11      VAL  76 -16.851   3.214  -1.110
  584   2HG1  VAL  76          HG12      VAL  76 -15.885   4.580  -1.666
  585   3HG1  VAL  76          HG13      VAL  76 -16.362   3.316  -2.801
  586   1HG2  VAL  76          HG21      VAL  76 -19.944   4.221  -2.870
  587   2HG2  VAL  76          HG22      VAL  76 -19.016   2.809  -2.363
  588   3HG2  VAL  76          HG23      VAL  76 -18.700   3.558  -3.928
  589    H    GLU  77           HN       GLU  77 -17.878   5.247   1.485
  590    HA   GLU  77           HA       GLU  77 -16.264   7.606   1.481
  591   1HB   GLU  77          HB2       GLU  77 -17.462   7.079   3.488
  592   2HB   GLU  77          HB1       GLU  77 -16.728   5.482   3.572
  593   1HG   GLU  77          HG2       GLU  77 -15.672   6.891   5.181
  594   2HG   GLU  77          HG1       GLU  77 -14.524   6.567   3.886
  595    H    ILE  78           HN       ILE  78 -14.531   7.393   0.157
  596    HA   ILE  78           HA       ILE  78 -12.646   5.213   0.752
  597    HB   ILE  78           HB       ILE  78 -13.605   5.969  -1.709
  598   1HG1  ILE  78          HG12      ILE  78 -11.584   4.649  -2.569
  599   2HG1  ILE  78          HG11      ILE  78 -11.072   4.550  -0.886
  600   1HG2  ILE  78          HG21      ILE  78 -10.882   7.213  -1.382
  601   2HG2  ILE  78          HG22      ILE  78 -12.392   8.060  -1.709
  602   3HG2  ILE  78          HG23      ILE  78 -11.713   6.970  -2.916
  603   1HD1  ILE  78          HD11      ILE  78 -13.543   3.403  -2.142
  604   2HD1  ILE  78          HD12      ILE  78 -13.330   3.539  -0.396
  605   3HD1  ILE  78          HD13      ILE  78 -12.218   2.552  -1.347
  606    H    LYS  79           HN       LYS  79 -10.427   5.725   1.057
  607    HA   LYS  79           HA       LYS  79  -9.419   8.366   1.042
  608   1HB   LYS  79          HB2       LYS  79  -9.311   8.806   3.426
  609   2HB   LYS  79          HB1       LYS  79 -10.989   8.603   2.939
  610   1HG   LYS  79          HG2       LYS  79  -9.287   6.495   4.265
  611   2HG   LYS  79          HG1       LYS  79 -10.490   7.493   5.075
  612   1HD   LYS  79          HD2       LYS  79 -12.098   6.541   3.262
  613   2HD   LYS  79          HD1       LYS  79 -10.881   5.263   3.141
  614   1HE   LYS  79          HE2       LYS  79 -12.666   4.702   4.722
  615   2HE   LYS  79          HE1       LYS  79 -11.095   4.800   5.508
  616   1HZ   LYS  79          HZ1       LYS  79 -11.702   7.078   6.205
  617   2HZ   LYS  79          HZ2       LYS  79 -12.709   5.891   6.864
  618   3HZ   LYS  79          HZ3       LYS  79 -13.252   6.836   5.572
  619    H    THR  80           HN       THR  80  -8.739   5.515   0.479
  620    HA   THR  80           HA       THR  80  -6.077   5.609   1.634
  621    HB   THR  80           HB       THR  80  -6.119   3.305   2.422
  622    HG1  THR  80           HG1      THR  80  -8.923   3.216   2.125
  623   1HG2  THR  80          HG21      THR  80  -8.300   5.064   3.555
  624   2HG2  THR  80          HG22      THR  80  -6.630   4.916   4.109
  625   3HG2  THR  80          HG23      THR  80  -7.751   3.573   4.326
  626    H    ASP  81           HN       ASP  81  -7.731   5.625  -0.996
  627    HA   ASP  81           HA       ASP  81  -7.364   4.951  -3.187
  628   1HB   ASP  81          HB2       ASP  81  -4.751   4.168  -1.939
  629   2HB   ASP  81          HB1       ASP  81  -5.085   4.007  -3.662
  630    H    LEU  82           HN       LEU  82  -8.045   3.014  -0.820
  631    HA   LEU  82           HA       LEU  82  -8.789   0.871  -0.608
  632   1HB   LEU  82          HB2       LEU  82  -8.261   0.745  -3.569
  633   2HB   LEU  82          HB1       LEU  82  -9.238  -0.388  -2.653
  634    HG   LEU  82           HG       LEU  82 -10.185   2.302  -2.256
  635   1HD1  LEU  82          HD11      LEU  82 -10.988   2.703  -4.547
  636   2HD1  LEU  82          HD12      LEU  82  -9.987   1.366  -5.113
  637   3HD1  LEU  82          HD13      LEU  82  -9.233   2.800  -4.415
  638   1HD2  LEU  82          HD21      LEU  82 -12.275   1.322  -2.933
  639   2HD2  LEU  82          HD22      LEU  82 -11.415   0.221  -1.855
  640   3HD2  LEU  82          HD23      LEU  82 -11.434  -0.081  -3.593
  641    H    SER  83           HN       SER  83  -6.361   1.188   0.276
  642    HA   SER  83           HA       SER  83  -4.704  -0.915  -0.937
  643   1HB   SER  83          HB2       SER  83  -2.874   0.019   0.525
  644   2HB   SER  83          HB1       SER  83  -3.477   1.131  -0.705
  645    HG   SER  83           HG       SER  83  -4.210   1.095   2.042
  646    H    PHE  84           HN       PHE  84  -4.372  -2.787   0.048
  647    HA   PHE  84           HA       PHE  84  -5.868  -4.074   1.756
  648   1HB   PHE  84          HB2       PHE  84  -3.985  -5.203   0.853
  649   2HB   PHE  84          HB1       PHE  84  -2.857  -4.155   1.707
  650    HD1  PHE  84           HD1      PHE  84  -2.124  -4.670   3.876
  651    HD2  PHE  84           HD2      PHE  84  -5.371  -6.823   2.167
  652    HE1  PHE  84           HE1      PHE  84  -2.027  -6.280   5.734
  653    HE2  PHE  84           HE2      PHE  84  -5.282  -8.437   4.024
  654    HZ   PHE  84           HZ       PHE  84  -3.608  -8.167   5.810
  655    H    GLY  85           HN       GLY  85  -6.465  -4.208   3.816
  656   1HA   GLY  85          HA2       GLY  85  -6.430  -3.888   6.115
  657   2HA   GLY  85          HA1       GLY  85  -4.924  -3.002   5.941
  658    H    SER  86           HN       SER  86  -8.261  -2.529   4.733
  659    HA   SER  86           HA       SER  86  -8.564  -0.146   6.308
  660   1HB   SER  86          HB2       SER  86  -8.370   0.134   3.303
  661   2HB   SER  86          HB1       SER  86  -8.807   1.414   4.434
  662    HG   SER  86           HG       SER  86  -6.323   0.235   3.943
  663    H    GLN  87           HN       GLN  87 -10.638   0.725   6.269
  664    HA   GLN  87           HA       GLN  87 -12.621  -0.963   4.912
  665   1HB   GLN  87          HB2       GLN  87 -14.183  -0.306   6.872
  666   2HB   GLN  87          HB1       GLN  87 -13.036  -1.620   7.080
  667   1HG   GLN  87          HG2       GLN  87 -13.026  -0.285   9.030
  668   2HG   GLN  87          HG1       GLN  87 -11.509  -0.052   8.178
  669   1HE2  GLN  87          HE21      GLN  87 -14.530   1.398   7.218
  670   2HE2  GLN  87          HE22      GLN  87 -14.089   3.027   7.587
  671    H    ILE  88           HN       ILE  88 -14.310  -0.005   3.964
  672    HA   ILE  88           HA       ILE  88 -14.330   2.936   3.974
  673    HB   ILE  88           HB       ILE  88 -15.010   2.865   1.587
  674   1HG1  ILE  88          HG12      ILE  88 -14.049   0.002   1.609
  675   2HG1  ILE  88          HG11      ILE  88 -15.755   0.427   1.694
  676   1HG2  ILE  88          HG21      ILE  88 -12.339   1.742   2.389
  677   2HG2  ILE  88          HG22      ILE  88 -12.761   3.423   2.058
  678   3HG2  ILE  88          HG23      ILE  88 -12.713   2.248   0.744
  679   1HD1  ILE  88          HD11      ILE  88 -13.876   1.157  -0.540
  680   2HD1  ILE  88          HD12      ILE  88 -15.594   1.551  -0.456
  681   3HD1  ILE  88          HD13      ILE  88 -15.081  -0.132  -0.575
  682    H    GLU  89           HN       GLU  89 -16.019   3.126   5.391
  683    HA   GLU  89           HA       GLU  89 -18.368   1.644   5.407
  684   1HB   GLU  89          HB2       GLU  89 -18.677   4.496   6.081
  685   2HB   GLU  89          HB1       GLU  89 -19.054   3.066   7.026
  686   1HG   GLU  89          HG2       GLU  89 -16.748   2.818   7.662
  687   2HG   GLU  89          HG1       GLU  89 -16.293   4.164   6.618
  688    H    PHE  90           HN       PHE  90 -20.462   2.100   4.623
  689    HA   PHE  90           HA       PHE  90 -20.466   3.770   2.202
  690   1HB   PHE  90          HB2       PHE  90 -22.254   1.394   2.752
  691   2HB   PHE  90          HB1       PHE  90 -22.091   2.273   1.236
  692    HD1  PHE  90           HD1      PHE  90 -20.191   1.902  -0.228
  693    HD2  PHE  90           HD2      PHE  90 -20.551  -0.173   3.480
  694    HE1  PHE  90           HE1      PHE  90 -18.461   0.317  -0.950
  695    HE2  PHE  90           HE2      PHE  90 -18.814  -1.758   2.758
  696    HZ   PHE  90           HZ       PHE  90 -17.767  -1.515   0.543
  697    H    SER  91           HN       SER  91 -22.986   4.213   1.630
  698    HA   SER  91           HA       SER  91 -24.599   4.757   3.930
  699   1HB   SER  91          HB2       SER  91 -24.622   7.255   3.613
  700   2HB   SER  91          HB1       SER  91 -23.131   6.601   4.292
  701    HG   SER  91           HG       SER  91 -23.424   8.070   2.113
  702    H    CYS  92           HN       CYS  92 -26.580   4.407   3.288
  703    HA   CYS  92           HA       CYS  92 -27.281   4.796   0.491
  704   1HB   CYS  92          HB2       CYS  92 -27.932   2.733   1.826
  705   2HB   CYS  92          HB1       CYS  92 -29.095   3.747   2.667
  706    H    SER  93           HN       SER  93 -28.121   6.626  -0.202
  707    HA   SER  93           HA       SER  93 -28.576   8.877   1.287
  708   1HB   SER  93          HB2       SER  93 -30.138   9.519  -0.701
  709   2HB   SER  93          HB1       SER  93 -28.415   9.262  -0.995
  710    HG   SER  93           HG       SER  93 -29.750   8.164  -2.512
  711    H    GLU  94           HN       GLU  94 -30.628  10.111   1.470
  712    HA   GLU  94           HA       GLU  94 -32.340   9.066   3.326
  713   1HB   GLU  94          HB2       GLU  94 -32.337  11.399   3.041
  714   2HB   GLU  94          HB1       GLU  94 -32.672  11.278   1.319
  715   1HG   GLU  94          HG2       GLU  94 -34.927  10.647   1.725
  716   2HG   GLU  94          HG1       GLU  94 -34.630  10.485   3.455
  717    H    GLY  95           HN       GLY  95 -34.504   8.373   3.296
  718   1HA   GLY  95          HA2       GLY  95 -36.380   7.307   2.474
  719   2HA   GLY  95          HA1       GLY  95 -35.813   7.650   0.847
  720    H    PHE  96           HN       PHE  96 -33.216   6.307   1.251
  721    HA   PHE  96           HA       PHE  96 -34.232   3.541   1.161
  722   1HB   PHE  96          HB2       PHE  96 -31.649   4.069  -0.140
  723   2HB   PHE  96          HB1       PHE  96 -33.005   3.097  -0.696
  724    HD1  PHE  96           HD1      PHE  96 -31.109   5.943  -1.283
  725    HD2  PHE  96           HD2      PHE  96 -35.114   4.517  -1.441
  726    HE1  PHE  96           HE1      PHE  96 -31.676   7.717  -2.903
  727    HE2  PHE  96           HE2      PHE  96 -35.691   6.281  -3.057
  728    HZ   PHE  96           HZ       PHE  96 -33.969   7.885  -3.791
  729    H    PHE  97           HN       PHE  97 -33.203   2.027   2.364
  730    HA   PHE  97           HA       PHE  97 -31.182   3.052   4.210
  731   1HB   PHE  97          HB2       PHE  97 -31.749   1.208   5.665
  732   2HB   PHE  97          HB1       PHE  97 -33.221   2.026   5.168
  733    HD1  PHE  97           HD1      PHE  97 -31.736  -1.077   5.652
  734    HD2  PHE  97           HD2      PHE  97 -34.346   0.984   2.996
  735    HE1  PHE  97           HE1      PHE  97 -32.695  -3.225   4.932
  736    HE2  PHE  97           HE2      PHE  97 -35.306  -1.161   2.268
  737    HZ   PHE  97           HZ       PHE  97 -34.482  -3.269   3.239
  738    H    LEU  98           HN       LEU  98 -29.483   1.602   4.895
  739    HA   LEU  98           HA       LEU  98 -28.124   0.536   2.570
  740   1HB   LEU  98          HB2       LEU  98 -26.994   1.978   4.244
  741   2HB   LEU  98          HB1       LEU  98 -27.186   0.701   5.432
  742    HG   LEU  98           HG       LEU  98 -25.784   0.069   2.874
  743   1HD1  LEU  98          HD11      LEU  98 -23.686   0.874   3.723
  744   2HD1  LEU  98          HD12      LEU  98 -24.458   1.439   5.205
  745   3HD1  LEU  98          HD13      LEU  98 -24.837   2.209   3.664
  746   1HD2  LEU  98          HD21      LEU  98 -25.347  -0.803   5.727
  747   2HD2  LEU  98          HD22      LEU  98 -24.564  -1.465   4.291
  748   3HD2  LEU  98          HD23      LEU  98 -26.299  -1.681   4.530
  749    H    ILE  99           HN       ILE  99 -27.598  -1.545   2.199
  750    HA   ILE  99           HA       ILE  99 -27.969  -3.645   4.172
  751    HB   ILE  99           HB       ILE  99 -29.276  -4.353   1.648
  752   1HG1  ILE  99          HG12      ILE  99 -30.868  -2.552   3.436
  753   2HG1  ILE  99          HG11      ILE  99 -29.915  -1.881   2.121
  754   1HG2  ILE  99          HG21      ILE  99 -30.207  -4.540   4.509
  755   2HG2  ILE  99          HG22      ILE  99 -29.244  -5.755   3.668
  756   3HG2  ILE  99          HG23      ILE  99 -30.884  -5.399   3.125
  757   1HD1  ILE  99          HD11      ILE  99 -32.096  -3.928   1.807
  758   2HD1  ILE  99          HD12      ILE  99 -31.163  -3.183   0.510
  759   3HD1  ILE  99          HD13      ILE  99 -32.249  -2.199   1.491
  760    H    GLY 100           HN       GLY 100 -25.785  -3.839   3.878
  761   1HA   GLY 100          HA2       GLY 100 -24.818  -5.777   2.190
  762   2HA   GLY 100          HA1       GLY 100 -24.539  -4.261   1.350
  763    H    SER 101           HN       SER 101 -24.394  -4.920   4.802
  764    HA   SER 101           HA       SER 101 -22.768  -4.606   6.359
  765   1HB   SER 101          HB2       SER 101 -21.112  -5.480   3.998
  766   2HB   SER 101          HB1       SER 101 -20.400  -5.170   5.582
  767    HG   SER 101           HG       SER 101 -21.116  -7.412   5.041
  768    H    THR 102           HN       THR 102 -22.583  -2.572   7.051
  769    HA   THR 102           HA       THR 102 -22.028  -0.374   5.370
  770    HB   THR 102           HB       THR 102 -21.869   0.958   7.435
  771    HG1  THR 102           HG1      THR 102 -22.269  -1.480   8.845
  772   1HG2  THR 102          HG21      THR 102 -24.085   0.351   6.492
  773   2HG2  THR 102          HG22      THR 102 -24.119   0.593   8.239
  774   3HG2  THR 102          HG23      THR 102 -24.129  -1.041   7.574
  775    H    THR 103           HN       THR 103 -19.946  -2.706   6.458
  776    HA   THR 103           HA       THR 103 -17.693  -0.826   6.248
  777    HB   THR 103           HB       THR 103 -16.387  -2.502   7.543
  778    HG1  THR 103           HG1      THR 103 -18.664  -3.581   8.668
  779   1HG2  THR 103          HG21      THR 103 -18.763  -1.187   8.832
  780   2HG2  THR 103          HG22      THR 103 -17.139  -0.524   8.642
  781   3HG2  THR 103          HG23      THR 103 -17.416  -1.879   9.738
  782    H    SER 104           HN       SER 104 -15.705  -1.723   5.278
  783    HA   SER 104           HA       SER 104 -16.034  -4.125   3.675
  784   1HB   SER 104          HB2       SER 104 -16.906  -2.264   2.234
  785   2HB   SER 104          HB1       SER 104 -15.340  -1.464   2.389
  786    HG   SER 104           HG       SER 104 -15.335  -2.648   0.502
  787    H    ARG 105           HN       ARG 105 -14.254  -5.209   4.249
  788    HA   ARG 105           HA       ARG 105 -11.842  -3.698   4.951
  789   1HB   ARG 105          HB2       ARG 105 -12.489  -6.600   5.474
  790   2HB   ARG 105          HB1       ARG 105 -11.088  -5.726   6.077
  791   1HG   ARG 105          HG2       ARG 105 -12.663  -4.198   7.275
  792   2HG   ARG 105          HG1       ARG 105 -13.973  -5.282   6.802
  793   1HD   ARG 105          HD2       ARG 105 -12.855  -7.128   7.961
  794   2HD   ARG 105          HD1       ARG 105 -11.558  -6.035   8.443
  795    HE   ARG 105           HE       ARG 105 -13.542  -4.765   9.539
  796   1HH1  ARG 105          HH11      ARG 105 -13.134  -8.219   9.333
  797   2HH1  ARG 105          HH12      ARG 105 -14.007  -8.538  10.794
  798   1HH2  ARG 105          HH21      ARG 105 -14.692  -5.174  11.463
  799   2HH2  ARG 105          HH22      ARG 105 -14.894  -6.808  12.005
  800    H    CYS 106           HN       CYS 106  -9.913  -3.969   4.016
  801    HA   CYS 106           HA       CYS 106  -9.877  -5.356   1.451
  802   1HB   CYS 106          HB2       CYS 106  -8.547  -3.008   2.573
  803   2HB   CYS 106          HB1       CYS 106  -7.435  -4.085   1.733
  804    H    GLU 107           HN       GLU 107  -9.121  -7.329   1.376
  805    HA   GLU 107           HA       GLU 107  -7.036  -8.138   3.294
  806   1HB   GLU 107          HB2       GLU 107  -9.508  -9.083   3.394
  807   2HB   GLU 107          HB1       GLU 107  -8.922 -10.126   2.103
  808   1HG   GLU 107          HG2       GLU 107  -8.697 -11.278   4.175
  809   2HG   GLU 107          HG1       GLU 107  -7.086 -10.858   3.595
  810    H    VAL 108           HN       VAL 108  -6.315 -10.530   2.255
  811    HA   VAL 108           HA       VAL 108  -5.758 -10.062  -0.588
  812    HB   VAL 108           HB       VAL 108  -3.637 -10.747   1.440
  813   1HG1  VAL 108          HG11      VAL 108  -2.096 -10.823  -0.455
  814   2HG1  VAL 108          HG12      VAL 108  -3.428 -10.516  -1.574
  815   3HG1  VAL 108          HG13      VAL 108  -3.369 -12.026  -0.662
  816   1HG2  VAL 108          HG21      VAL 108  -4.340  -8.375   1.284
  817   2HG2  VAL 108          HG22      VAL 108  -3.876  -8.397  -0.416
  818   3HG2  VAL 108          HG23      VAL 108  -2.657  -8.653   0.834
  819    H    GLN 109           HN       GLN 109  -6.034 -11.707  -1.835
  820    HA   GLN 109           HA       GLN 109  -5.435 -14.409  -0.972
  821   1HB   GLN 109          HB2       GLN 109  -7.773 -15.150  -1.738
  822   2HB   GLN 109          HB1       GLN 109  -7.620 -14.407  -0.152
  823   1HG   GLN 109          HG2       GLN 109  -8.319 -12.246  -1.175
  824   2HG   GLN 109          HG1       GLN 109  -8.634 -13.120  -2.674
  825   1HE2  GLN 109          HE21      GLN 109 -10.459 -11.639  -0.906
  826   2HE2  GLN 109          HE22      GLN 109 -11.693 -12.764  -0.465
  827    H    ASP 110           HN       ASP 110  -4.066 -14.849  -2.571
  828    HA   ASP 110           HA       ASP 110  -3.350 -15.528  -4.603
  829   1HB   ASP 110          HB2       ASP 110  -6.283 -15.341  -5.149
  830   2HB   ASP 110          HB1       ASP 110  -5.153 -15.722  -6.445
  831    H    ARG 111           HN       ARG 111  -5.796 -13.066  -5.373
  832    HA   ARG 111           HA       ARG 111  -4.166 -11.899  -7.369
  833   1HB   ARG 111          HB2       ARG 111  -6.836 -11.332  -6.202
  834   2HB   ARG 111          HB1       ARG 111  -6.044 -10.062  -7.115
  835   1HG   ARG 111          HG2       ARG 111  -5.808 -11.692  -9.004
  836   2HG   ARG 111          HG1       ARG 111  -6.832 -12.794  -8.081
  837   1HD   ARG 111          HD2       ARG 111  -8.646 -11.218  -8.110
  838   2HD   ARG 111          HD1       ARG 111  -7.625  -9.996  -8.868
  839    HE   ARG 111           HE       ARG 111  -7.694 -12.288 -10.494
  840   1HH1  ARG 111          HH11      ARG 111  -9.745  -9.674  -9.441
  841   2HH1  ARG 111          HH12      ARG 111 -10.712  -9.685 -10.877
  842   1HH2  ARG 111          HH21      ARG 111  -8.960 -12.308 -12.388
  843   2HH2  ARG 111          HH22      ARG 111 -10.267 -11.183 -12.551
  844    H    GLY 112           HN       GLY 112  -2.927 -11.894  -4.748
  845   1HA   GLY 112          HA2       GLY 112  -1.554 -10.473  -3.583
  846   2HA   GLY 112          HA1       GLY 112  -1.880  -9.262  -4.811
  847    H    VAL 113           HN       VAL 113  -4.853  -9.727  -4.104
  848    HA   VAL 113           HA       VAL 113  -5.184  -8.842  -1.451
  849    HB   VAL 113           HB       VAL 113  -6.302  -6.600  -2.737
  850   1HG1  VAL 113          HG11      VAL 113  -5.469  -6.690  -0.449
  851   2HG1  VAL 113          HG12      VAL 113  -4.765  -5.339  -1.339
  852   3HG1  VAL 113          HG13      VAL 113  -3.815  -6.798  -1.053
  853   1HG2  VAL 113          HG21      VAL 113  -4.825  -7.049  -4.627
  854   2HG2  VAL 113          HG22      VAL 113  -3.433  -7.010  -3.539
  855   3HG2  VAL 113          HG23      VAL 113  -4.389  -5.549  -3.804
  856    H    GLY 114           HN       GLY 114  -7.349  -9.225  -0.840
  857   1HA   GLY 114          HA2       GLY 114  -9.205  -9.592  -3.081
  858   2HA   GLY 114          HA1       GLY 114  -9.167 -10.635  -1.667
  859    H    TRP 115           HN       TRP 115 -11.270  -8.720  -2.837
  860    HA   TRP 115           HA       TRP 115 -11.563  -6.761  -0.746
  861   1HB   TRP 115          HB2       TRP 115 -12.696  -7.170  -3.346
  862   2HB   TRP 115          HB1       TRP 115 -14.001  -7.043  -2.176
  863    HD1  TRP 115           HD1      TRP 115 -12.971  -4.869  -4.501
  864    HE1  TRP 115           HE1      TRP 115 -12.707  -2.426  -3.742
  865    HE3  TRP 115           HE3      TRP 115 -12.613  -5.602   0.555
  866    HZ2  TRP 115           HZ2      TRP 115 -12.387  -0.997  -1.340
  867    HZ3  TRP 115           HZ3      TRP 115 -12.329  -3.636   2.005
  868    HH2  TRP 115           HH2      TRP 115 -12.217  -1.384   1.077
  869    H    SER 116           HN       SER 116 -13.528  -6.651   0.598
  870    HA   SER 116           HA       SER 116 -14.214  -9.319   1.578
  871   1HB   SER 116          HB2       SER 116 -13.383  -7.782   3.261
  872   2HB   SER 116          HB1       SER 116 -14.590  -6.577   2.810
  873    HG   SER 116           HG       SER 116 -15.530  -7.556   4.479
  874    H    HIS 117           HN       HIS 117 -15.674  -6.365   0.340
  875    HA   HIS 117           HA       HIS 117 -17.917  -7.670  -0.749
  876   1HB   HIS 117          HB2       HIS 117 -18.525  -7.804   1.683
  877   2HB   HIS 117          HB1       HIS 117 -18.546  -6.044   1.721
  878    HD1  HIS 117           HD1      HIS 117 -20.347  -8.926   0.049
  879    HD2  HIS 117           HD2      HIS 117 -20.898  -4.906   0.941
  880    HE1  HIS 117           HE1      HIS 117 -22.729  -8.419  -0.574
  881    HE2  HIS 117           HE2      HIS 117 -23.067  -6.006   0.063
  882    HA   PRO 118           HA       PRO 118 -17.791  -3.677  -2.700
  883   1HB   PRO 118          HB2       PRO 118 -19.578  -4.079  -4.632
  884   2HB   PRO 118          HB1       PRO 118 -18.066  -4.995  -4.600
  885   1HG   PRO 118          HG2       PRO 118 -20.809  -5.825  -3.742
  886   2HG   PRO 118          HG1       PRO 118 -19.592  -6.750  -4.641
  887   1HD   PRO 118          HD2       PRO 118 -20.051  -6.953  -1.912
  888   2HD   PRO 118          HD1       PRO 118 -18.553  -7.442  -2.730
  889    H    LEU 119           HN       LEU 119 -20.103  -2.600  -3.988
  890    HA   LEU 119           HA       LEU 119 -21.215  -1.057  -1.970
  891   1HB   LEU 119          HB2       LEU 119 -22.548  -1.616  -4.605
  892   2HB   LEU 119          HB1       LEU 119 -22.635  -0.166  -3.633
  893    HG   LEU 119           HG       LEU 119 -21.254   0.484  -5.349
  894   1HD1  LEU 119          HD11      LEU 119 -19.388  -0.569  -3.243
  895   2HD1  LEU 119          HD12      LEU 119 -20.205   0.998  -3.244
  896   3HD1  LEU 119          HD13      LEU 119 -18.982   0.642  -4.463
  897   1HD2  LEU 119          HD21      LEU 119 -21.059  -1.690  -6.420
  898   2HD2  LEU 119          HD22      LEU 119 -19.859  -2.175  -5.222
  899   3HD2  LEU 119          HD23      LEU 119 -19.503  -0.865  -6.348
  900    HA   PRO 120           HA       PRO 120 -24.599  -3.552  -0.555
  901   1HB   PRO 120          HB2       PRO 120 -25.956  -1.710   0.828
  902   2HB   PRO 120          HB1       PRO 120 -24.343  -2.225   1.331
  903   1HG   PRO 120          HG2       PRO 120 -25.198   0.276  -0.038
  904   2HG   PRO 120          HG1       PRO 120 -23.907   0.028   1.149
  905   1HD   PRO 120          HD2       PRO 120 -23.598   0.205  -1.640
  906   2HD   PRO 120          HD1       PRO 120 -22.380  -0.356  -0.480
  907    H    GLN 121           HN       GLN 121 -27.165  -3.021  -0.206
  908    HA   GLN 121           HA       GLN 121 -28.146  -2.329  -2.892
  909   1HB   GLN 121          HB2       GLN 121 -28.505  -4.656  -1.727
  910   2HB   GLN 121          HB1       GLN 121 -29.788  -3.809  -0.875
  911   1HG   GLN 121          HG2       GLN 121 -30.733  -3.158  -3.087
  912   2HG   GLN 121          HG1       GLN 121 -29.529  -4.200  -3.845
  913   1HE2  GLN 121          HE21      GLN 121 -29.691  -6.434  -3.604
  914   2HE2  GLN 121          HE22      GLN 121 -31.152  -7.195  -3.087
  915    H    CYS 122           HN       CYS 122 -29.270  -0.482  -3.124
  916    HA   CYS 122           HA       CYS 122 -30.333   0.759  -0.689
  917   1HB   CYS 122          HB2       CYS 122 -29.227   1.805  -3.230
  918   2HB   CYS 122          HB1       CYS 122 -30.545   2.723  -2.506
  919    H    GLU 123           HN       GLU 123 -32.439   0.425  -0.308
  920    HA   GLU 123           HA       GLU 123 -34.310   0.575  -2.568
  921   1HB   GLU 123          HB2       GLU 123 -33.980  -1.792  -1.861
  922   2HB   GLU 123          HB1       GLU 123 -34.472  -1.344  -0.233
  923   1HG   GLU 123          HG2       GLU 123 -36.662  -0.632  -1.146
  924   2HG   GLU 123          HG1       GLU 123 -36.152  -1.239  -2.720
  925    H    ILE 124           HN       ILE 124 -36.185   1.678  -2.153
  926    HA   ILE 124           HA       ILE 124 -36.085   3.581  -0.034
  927    HB   ILE 124           HB       ILE 124 -37.096   4.129  -2.196
  928   1HG1  ILE 124          HG12      ILE 124 -39.163   4.214   0.012
  929   2HG1  ILE 124          HG11      ILE 124 -37.787   5.306  -0.095
  930   1HG2  ILE 124          HG21      ILE 124 -39.319   2.245  -1.424
  931   2HG2  ILE 124          HG22      ILE 124 -38.077   1.902  -2.628
  932   3HG2  ILE 124          HG23      ILE 124 -39.218   3.222  -2.890
  933   1HD1  ILE 124          HD11      ILE 124 -40.023   5.062  -2.092
  934   2HD1  ILE 124          HD12      ILE 124 -38.629   6.133  -2.240
  935   3HD1  ILE 124          HD13      ILE 124 -39.787   6.368  -0.930
  936    H    LEU 125           HN       LEU 125 -37.352   3.764   1.793
  937    HA   LEU 125           HA       LEU 125 -38.170   1.316   3.009
  938   1HB   LEU 125          HB2       LEU 125 -38.562   4.165   3.932
  939   2HB   LEU 125          HB1       LEU 125 -38.797   2.735   4.918
  940    HG   LEU 125           HG       LEU 125 -36.142   3.478   3.689
  941   1HD1  LEU 125          HD11      LEU 125 -37.195   4.060   6.454
  942   2HD1  LEU 125          HD12      LEU 125 -36.806   5.245   5.207
  943   3HD1  LEU 125          HD13      LEU 125 -35.524   4.274   5.932
  944   1HD2  LEU 125          HD21      LEU 125 -36.482   1.105   4.294
  945   2HD2  LEU 125          HD22      LEU 125 -36.825   1.605   5.950
  946   3HD2  LEU 125          HD23      LEU 125 -35.227   1.889   5.256
  947    H    GLU 126           HN       GLU 126 -40.190   0.528   3.394
  948    HA   GLU 126           HA       GLU 126 -42.407   1.941   2.070
  949   1HB   GLU 126          HB2       GLU 126 -42.092  -1.011   2.640
  950   2HB   GLU 126          HB1       GLU 126 -43.480  -0.269   1.855
  951   1HG   GLU 126          HG2       GLU 126 -40.658  -0.345   0.808
  952   2HG   GLU 126          HG1       GLU 126 -42.029  -1.282   0.215
  953    H    HIS 127           HN       HIS 127 -41.364   2.221   4.867
  954    HA   HIS 127           HA       HIS 127 -43.638   1.247   6.426
  955   1HB   HIS 127          HB2       HIS 127 -41.452   0.847   7.401
  956   2HB   HIS 127          HB1       HIS 127 -41.044   2.555   7.273
  957    HD1  HIS 127           HD1      HIS 127 -41.586   3.984   9.239
  958    HD2  HIS 127           HD2      HIS 127 -43.589   0.344   9.337
  959    HE1  HIS 127           HE1      HIS 127 -42.727   3.905  11.479
  960    HE2  HIS 127           HE2      HIS 127 -43.984   1.721  11.492
  961    H    HIS 128           HN       HIS 128 -42.269   4.156   5.115
  962    HA   HIS 128           HA       HIS 128 -44.466   5.701   6.329
  963   1HB   HIS 128          HB2       HIS 128 -42.297   6.382   7.260
  964   2HB   HIS 128          HB1       HIS 128 -41.688   6.682   5.636
  965    HD1  HIS 128           HD1      HIS 128 -44.345   7.984   8.007
  966    HD2  HIS 128           HD2      HIS 128 -42.138   9.202   4.704
  967    HE1  HIS 128           HE1      HIS 128 -44.874  10.424   7.709
  968    HE2  HIS 128           HE2      HIS 128 -43.548  11.135   5.688
  969    H    HIS 129           HN       HIS 129 -42.171   5.732   3.597
  970    HA   HIS 129           HA       HIS 129 -43.931   7.330   1.984
  971   1HB   HIS 129          HB2       HIS 129 -41.412   5.828   1.234
  972   2HB   HIS 129          HB1       HIS 129 -42.242   7.001   0.216
  973    HD1  HIS 129           HD1      HIS 129 -41.916   9.485   0.759
  974    HD2  HIS 129           HD2      HIS 129 -39.945   6.928   3.374
  975    HE1  HIS 129           HE1      HIS 129 -40.361  10.949   2.087
  976    HE2  HIS 129           HE2      HIS 129 -39.116   9.367   3.602
  977    H    HIS 130           HN       HIS 130 -44.657   6.624  -0.174
  978    HA   HIS 130           HA       HIS 130 -45.046   3.767  -0.532
  979   1HB   HIS 130          HB2       HIS 130 -46.952   4.407   0.873
  980   2HB   HIS 130          HB1       HIS 130 -47.379   5.677  -0.269
  981    HD1  HIS 130           HD1      HIS 130 -47.609   2.005   0.276
  982    HD2  HIS 130           HD2      HIS 130 -48.597   4.782  -2.653
  983    HE1  HIS 130           HE1      HIS 130 -49.128   0.790  -1.318
  984    HE2  HIS 130           HE2      HIS 130 -49.778   2.513  -3.037
  985    H    HIS 131           HN       HIS 131 -46.293   6.882  -1.745
  986    HA   HIS 131           HA       HIS 131 -45.986   5.926  -4.482
  987   1HB   HIS 131          HB2       HIS 131 -48.077   7.063  -3.862
  988   2HB   HIS 131          HB1       HIS 131 -47.166   8.503  -3.419
  989    HD1  HIS 131           HD1      HIS 131 -48.133   6.469  -6.446
  990    HD2  HIS 131           HD2      HIS 131 -46.563  10.199  -5.498
  991    HE1  HIS 131           HE1      HIS 131 -48.120   7.761  -8.604
  992    HE2  HIS 131           HE2      HIS 131 -47.097   9.990  -8.021
  993    H    HIS 132           HN       HIS 132 -44.231   6.343  -5.634
  994    HA   HIS 132           HA       HIS 132 -42.290   7.263  -6.371
  995   1HB   HIS 132          HB2       HIS 132 -43.701   9.223  -6.816
  996   2HB   HIS 132          HB1       HIS 132 -43.439   9.793  -5.170
  997    HD1  HIS 132           HD1      HIS 132 -41.566  11.384  -4.877
  998    HD2  HIS 132           HD2      HIS 132 -41.153   9.118  -8.335
  999    HE1  HIS 132           HE1      HIS 132 -39.538  12.305  -6.045
 1000    HE2  HIS 132           HE2      HIS 132 -39.354  10.970  -8.174
  Start of MODEL   24
    1   1H    MET   0           HT1      MET   0  34.005  -5.311  -0.867
    2   2H    MET   0           HT2      MET   0  33.603  -3.971  -1.818
    3   3H    MET   0           HT3      MET   0  32.382  -4.972  -1.208
    4    HA   MET   0           HA       MET   0  32.877  -4.325   1.030
    5   1HB   MET   0          HB2       MET   0  35.028  -2.671  -0.301
    6   2HB   MET   0          HB1       MET   0  34.500  -2.420   1.358
    7   1HG   MET   0          HG2       MET   0  35.674  -4.973   0.278
    8   2HG   MET   0          HG1       MET   0  36.553  -3.754   1.200
    9   1HE   MET   0          HE1       MET   0  37.348  -5.618   2.875
   10   2HE   MET   0          HE2       MET   0  36.437  -6.873   2.037
   11   3HE   MET   0          HE3       MET   0  36.265  -6.673   3.781
   12    H    ASN   1           HN       ASN   1  33.098  -2.086  -1.726
   13    HA   ASN   1           HA       ASN   1  31.026  -0.429  -0.479
   14   1HB   ASN   1          HB2       ASN   1  33.338   0.133  -2.139
   15   2HB   ASN   1          HB1       ASN   1  31.876   0.854  -2.808
   16   1HD2  ASN   1          HD21      ASN   1  30.590   1.174  -0.253
   17   2HD2  ASN   1          HD22      ASN   1  31.381   2.483   0.546
   18    H    CYS   2           HN       CYS   2  29.142   0.134  -1.555
   19    HA   CYS   2           HA       CYS   2  28.405  -1.692  -3.732
   20   1HB   CYS   2          HB2       CYS   2  26.820  -0.301  -1.594
   21   2HB   CYS   2          HB1       CYS   2  26.030  -0.889  -3.054
   22    H    GLY   3           HN       GLY   3  26.822  -0.824  -5.336
   23   1HA   GLY   3          HA2       GLY   3  27.818   1.605  -6.474
   24   2HA   GLY   3          HA1       GLY   3  26.484   0.640  -7.091
   25    HA   PRO   4           HA       PRO   4  25.190   4.860  -5.074
   26   1HB   PRO   4          HB2       PRO   4  23.945   4.949  -7.794
   27   2HB   PRO   4          HB1       PRO   4  24.589   6.269  -6.809
   28   1HG   PRO   4          HG2       PRO   4  26.010   5.334  -8.838
   29   2HG   PRO   4          HG1       PRO   4  26.805   5.722  -7.301
   30   1HD   PRO   4          HD2       PRO   4  26.082   3.054  -8.442
   31   2HD   PRO   4          HD1       PRO   4  27.511   3.530  -7.498
   32    HA   PRO   5           HA       PRO   5  21.534   2.760  -3.671
   33   1HB   PRO   5          HB2       PRO   5  20.553   5.554  -3.313
   34   2HB   PRO   5          HB1       PRO   5  20.551   4.204  -2.171
   35   1HG   PRO   5          HG2       PRO   5  22.337   6.149  -1.928
   36   2HG   PRO   5          HG1       PRO   5  22.811   4.459  -1.671
   37   1HD   PRO   5          HD2       PRO   5  23.313   6.234  -4.017
   38   2HD   PRO   5          HD1       PRO   5  24.368   5.009  -3.288
   39    HA   PRO   6           HA       PRO   6  19.291   3.065  -7.621
   40   1HB   PRO   6          HB2       PRO   6  17.754   0.844  -7.038
   41   2HB   PRO   6          HB1       PRO   6  19.324   0.789  -7.847
   42   1HG   PRO   6          HG2       PRO   6  18.628   0.293  -4.986
   43   2HG   PRO   6          HG1       PRO   6  19.804  -0.542  -6.017
   44   1HD   PRO   6          HD2       PRO   6  20.558   1.268  -4.177
   45   2HD   PRO   6          HD1       PRO   6  21.410   1.094  -5.726
   46    H    THR   7           HN       THR   7  16.878   2.588  -7.986
   47    HA   THR   7           HA       THR   7  15.372   4.294  -6.135
   48    HB   THR   7           HB       THR   7  14.770   3.457  -8.983
   49    HG1  THR   7           HG1      THR   7  16.397   5.074  -8.750
   50   1HG2  THR   7          HG21      THR   7  13.212   5.226  -7.097
   51   2HG2  THR   7          HG22      THR   7  12.685   3.694  -7.792
   52   3HG2  THR   7          HG23      THR   7  12.911   5.101  -8.830
   53    H    LEU   8           HN       LEU   8  13.759   3.444  -4.910
   54    HA   LEU   8           HA       LEU   8  13.062   0.635  -5.423
   55   1HB   LEU   8          HB2       LEU   8  12.671   2.138  -2.844
   56   2HB   LEU   8          HB1       LEU   8  12.554   0.408  -3.101
   57    HG   LEU   8           HG       LEU   8  15.042   2.102  -3.082
   58   1HD1  LEU   8          HD11      LEU   8  14.126  -0.239  -1.420
   59   2HD1  LEU   8          HD12      LEU   8  14.234   1.442  -0.900
   60   3HD1  LEU   8          HD13      LEU   8  15.700   0.545  -1.293
   61   1HD2  LEU   8          HD21      LEU   8  14.722  -0.765  -3.939
   62   2HD2  LEU   8          HD22      LEU   8  16.265  -0.001  -3.557
   63   3HD2  LEU   8          HD23      LEU   8  15.302   0.585  -4.914
   64    H    SER   9           HN       SER   9  11.175   0.452  -6.486
   65    HA   SER   9           HA       SER   9   9.162   2.471  -6.357
   66   1HB   SER   9          HB2       SER   9   9.045  -0.342  -7.489
   67   2HB   SER   9          HB1       SER   9   7.832   0.911  -7.749
   68    HG   SER   9           HG       SER   9   9.130   1.915  -9.104
   69    H    PHE  10           HN       PHE  10  10.101   0.236  -4.191
   70    HA   PHE  10           HA       PHE  10   7.400  -0.225  -3.137
   71   1HB   PHE  10          HB2       PHE  10   8.812  -1.838  -1.589
   72   2HB   PHE  10          HB1       PHE  10   8.320  -2.333  -3.203
   73    HD1  PHE  10           HD1      PHE  10   9.966  -2.191  -5.077
   74    HD2  PHE  10           HD2      PHE  10  11.081  -1.669  -1.005
   75    HE1  PHE  10           HE1      PHE  10  12.313  -2.629  -5.670
   76    HE2  PHE  10           HE2      PHE  10  13.431  -2.104  -1.589
   77    HZ   PHE  10           HZ       PHE  10  14.049  -2.584  -3.925
   78    H    ALA  11           HN       ALA  11  10.088   1.714  -2.796
   79    HA   ALA  11           HA       ALA  11   9.071   2.782  -0.283
   80   1HB   ALA  11          HB1       ALA  11  11.927   1.877  -0.645
   81   2HB   ALA  11          HB2       ALA  11  10.732   1.175   0.445
   82   3HB   ALA  11          HB3       ALA  11  11.321   2.814   0.721
   83    H    ALA  12           HN       ALA  12  11.285   4.432   0.180
   84    HA   ALA  12           HA       ALA  12  11.867   5.991  -2.108
   85   1HB   ALA  12          HB1       ALA  12  10.629   7.998  -1.615
   86   2HB   ALA  12          HB2       ALA  12   9.908   7.251  -0.186
   87   3HB   ALA  12          HB3       ALA  12   9.503   6.652  -1.795
   88    HA   PRO  13           HA       PRO  13  15.016   7.441   0.630
   89   1HB   PRO  13          HB2       PRO  13  15.543   9.944  -0.262
   90   2HB   PRO  13          HB1       PRO  13  15.984   8.497  -1.173
   91   1HG   PRO  13          HG2       PRO  13  13.693  10.365  -1.569
   92   2HG   PRO  13          HG1       PRO  13  14.692   9.540  -2.778
   93   1HD   PRO  13          HD2       PRO  13  12.178   8.722  -2.020
   94   2HD   PRO  13          HD1       PRO  13  13.403   7.649  -2.713
   95    H    MET  14           HN       MET  14  15.288   8.478   2.569
   96    HA   MET  14           HA       MET  14  13.436  10.599   3.303
   97   1HB   MET  14          HB2       MET  14  12.238   8.589   3.917
   98   2HB   MET  14          HB1       MET  14  13.641   7.978   4.781
   99   1HG   MET  14          HG2       MET  14  13.450   9.907   6.327
  100   2HG   MET  14          HG1       MET  14  11.954  10.353   5.511
  101   1HE   MET  14          HE1       MET  14  10.878   8.879   9.031
  102   2HE   MET  14          HE2       MET  14  10.779  10.288   7.977
  103   3HE   MET  14          HE3       MET  14  12.332   9.803   8.654
  104    H    ASP  15           HN       ASP  15  16.397   8.893   3.798
  105    HA   ASP  15           HA       ASP  15  17.518  11.148   5.173
  106   1HB   ASP  15          HB2       ASP  15  16.400   9.958   7.022
  107   2HB   ASP  15          HB1       ASP  15  17.346   8.520   6.654
  108    H    ILE  16           HN       ILE  16  18.900  11.093   3.360
  109    HA   ILE  16           HA       ILE  16  21.353   9.858   3.740
  110    HB   ILE  16           HB       ILE  16  20.471   7.794   3.090
  111   1HG1  ILE  16          HG12      ILE  16  21.472   7.387   0.826
  112   2HG1  ILE  16          HG11      ILE  16  21.757   9.117   0.712
  113   1HG2  ILE  16          HG21      ILE  16  19.130   9.154   0.778
  114   2HG2  ILE  16          HG22      ILE  16  18.336   8.538   2.228
  115   3HG2  ILE  16          HG23      ILE  16  19.113   7.421   1.102
  116   1HD1  ILE  16          HD11      ILE  16  23.148   8.972   2.750
  117   2HD1  ILE  16          HD12      ILE  16  23.772   8.034   1.393
  118   3HD1  ILE  16          HD13      ILE  16  22.942   7.219   2.719
  119    H    THR  17           HN       THR  17  22.286  11.767   3.178
  120    HA   THR  17           HA       THR  17  21.541  13.408   1.048
  121    HB   THR  17           HB       THR  17  23.929  14.235   1.094
  122    HG1  THR  17           HG1      THR  17  24.101  12.233   3.113
  123   1HG2  THR  17          HG21      THR  17  23.728  15.283   3.288
  124   2HG2  THR  17          HG22      THR  17  22.525  14.085   3.766
  125   3HG2  THR  17          HG23      THR  17  22.160  15.240   2.484
  126    H    LEU  18           HN       LEU  18  21.483  12.921  -1.036
  127    HA   LEU  18           HA       LEU  18  22.898  10.649  -2.032
  128   1HB   LEU  18          HB2       LEU  18  20.787  12.463  -2.987
  129   2HB   LEU  18          HB1       LEU  18  21.823  11.811  -4.239
  130    HG   LEU  18           HG       LEU  18  19.870  10.409  -4.004
  131   1HD1  LEU  18          HD11      LEU  18  20.941   8.255  -3.529
  132   2HD1  LEU  18          HD12      LEU  18  22.312   9.102  -2.812
  133   3HD1  LEU  18          HD13      LEU  18  21.962   9.287  -4.532
  134   1HD2  LEU  18          HD21      LEU  18  19.421   9.215  -1.891
  135   2HD2  LEU  18          HD22      LEU  18  19.231  10.962  -1.742
  136   3HD2  LEU  18          HD23      LEU  18  20.677  10.176  -1.109
  137    H    THR  19           HN       THR  19  24.583  12.729  -1.107
  138    HA   THR  19           HA       THR  19  25.710  13.940  -3.515
  139    HB   THR  19           HB       THR  19  27.133  15.224  -2.010
  140    HG1  THR  19           HG1      THR  19  27.581  14.220  -0.190
  141   1HG2  THR  19          HG21      THR  19  24.222  15.132  -1.219
  142   2HG2  THR  19          HG22      THR  19  24.982  16.189  -2.412
  143   3HG2  THR  19          HG23      THR  19  25.337  16.396  -0.697
  144    H    GLU  20           HN       GLU  20  26.065  11.208  -1.586
  145    HA   GLU  20           HA       GLU  20  28.906  10.860  -2.067
  146   1HB   GLU  20          HB2       GLU  20  26.902   8.971  -0.816
  147   2HB   GLU  20          HB1       GLU  20  28.650   8.773  -0.816
  148   1HG   GLU  20          HG2       GLU  20  28.835  10.878   0.480
  149   2HG   GLU  20          HG1       GLU  20  27.075  10.929   0.569
  150    H    THR  21           HN       THR  21  29.098   8.173  -2.543
  151    HA   THR  21           HA       THR  21  27.537   7.550  -4.921
  152    HB   THR  21           HB       THR  21  29.874   6.908  -5.985
  153    HG1  THR  21           HG1      THR  21  31.279   8.827  -5.471
  154   1HG2  THR  21          HG21      THR  21  29.859   9.108  -7.164
  155   2HG2  THR  21          HG22      THR  21  28.643   9.663  -6.013
  156   3HG2  THR  21          HG23      THR  21  28.282   8.322  -7.100
  157    H    ARG  22           HN       ARG  22  29.874   6.662  -2.496
  158    HA   ARG  22           HA       ARG  22  29.261   3.825  -2.975
  159   1HB   ARG  22          HB2       ARG  22  31.840   4.951  -1.891
  160   2HB   ARG  22          HB1       ARG  22  31.473   3.253  -2.154
  161   1HG   ARG  22          HG2       ARG  22  31.348   3.625  -4.550
  162   2HG   ARG  22          HG1       ARG  22  31.652   5.349  -4.309
  163   1HD   ARG  22          HD2       ARG  22  33.523   3.071  -3.676
  164   2HD   ARG  22          HD1       ARG  22  33.700   4.257  -4.969
  165    HE   ARG  22           HE       ARG  22  33.566   5.713  -2.640
  166   1HH1  ARG  22          HH11      ARG  22  35.626   3.219  -3.936
  167   2HH1  ARG  22          HH12      ARG  22  37.031   3.757  -3.079
  168   1HH2  ARG  22          HH21      ARG  22  35.409   6.427  -1.508
  169   2HH2  ARG  22          HH22      ARG  22  36.908   5.580  -1.698
  170    H    PHE  23           HN       PHE  23  29.087   2.511  -1.088
  171    HA   PHE  23           HA       PHE  23  29.048   3.805   1.520
  172   1HB   PHE  23          HB2       PHE  23  26.599   2.347   0.504
  173   2HB   PHE  23          HB1       PHE  23  26.769   3.226   2.016
  174    HD1  PHE  23           HD1      PHE  23  26.902   3.768  -1.664
  175    HD2  PHE  23           HD2      PHE  23  25.960   5.391   2.156
  176    HE1  PHE  23           HE1      PHE  23  26.017   5.782  -2.745
  177    HE2  PHE  23           HE2      PHE  23  25.066   7.412   1.075
  178    HZ   PHE  23           HZ       PHE  23  25.094   7.612  -1.378
  179    H    LYS  24           HN       LYS  24  30.331   2.457   2.617
  180    HA   LYS  24           HA       LYS  24  31.080  -0.081   1.948
  181   1HB   LYS  24          HB2       LYS  24  31.482  -0.337   4.523
  182   2HB   LYS  24          HB1       LYS  24  32.412   0.824   3.586
  183   1HG   LYS  24          HG2       LYS  24  31.012   2.631   4.341
  184   2HG   LYS  24          HG1       LYS  24  29.936   1.498   5.162
  185   1HD   LYS  24          HD2       LYS  24  31.770   0.843   6.649
  186   2HD   LYS  24          HD1       LYS  24  32.836   1.989   5.834
  187   1HE   LYS  24          HE2       LYS  24  30.286   2.731   7.262
  188   2HE   LYS  24          HE1       LYS  24  31.899   2.850   7.964
  189   1HZ   LYS  24          HZ1       LYS  24  31.003   4.954   7.005
  190   2HZ   LYS  24          HZ2       LYS  24  31.108   4.246   5.472
  191   3HZ   LYS  24          HZ3       LYS  24  32.508   4.488   6.389
  192    H    THR  25           HN       THR  25  30.752  -2.127   3.138
  193    HA   THR  25           HA       THR  25  28.046  -2.917   2.933
  194    HB   THR  25           HB       THR  25  29.025  -5.003   4.147
  195    HG1  THR  25           HG1      THR  25  31.054  -3.593   4.452
  196   1HG2  THR  25          HG21      THR  25  29.730  -5.913   1.996
  197   2HG2  THR  25          HG22      THR  25  29.907  -4.279   1.353
  198   3HG2  THR  25          HG23      THR  25  28.309  -4.887   1.777
  199    H    GLY  26           HN       GLY  26  29.467  -1.216   5.336
  200   1HA   GLY  26          HA2       GLY  26  27.920  -2.531   7.473
  201   2HA   GLY  26          HA1       GLY  26  29.255  -1.415   7.730
  202    H    THR  27           HN       THR  27  27.950   0.099   5.388
  203    HA   THR  27           HA       THR  27  26.693   2.099   6.929
  204    HB   THR  27           HB       THR  27  27.750   2.226   4.543
  205    HG1  THR  27           HG1      THR  27  26.757   3.978   5.775
  206   1HG2  THR  27          HG21      THR  27  26.310   2.018   2.711
  207   2HG2  THR  27          HG22      THR  27  24.869   1.994   3.728
  208   3HG2  THR  27          HG23      THR  27  25.947   0.597   3.690
  209    H    THR  28           HN       THR  28  24.430   2.922   6.411
  210    HA   THR  28           HA       THR  28  22.456   1.020   5.588
  211    HB   THR  28           HB       THR  28  22.115   1.881   8.443
  212    HG1  THR  28           HG1      THR  28  23.083  -0.077   9.094
  213   1HG2  THR  28          HG21      THR  28  21.117  -0.499   6.875
  214   2HG2  THR  28          HG22      THR  28  20.199   0.970   7.207
  215   3HG2  THR  28          HG23      THR  28  20.679  -0.088   8.533
  216    H    LEU  29           HN       LEU  29  20.860   2.141   4.674
  217    HA   LEU  29           HA       LEU  29  20.637   4.977   5.397
  218   1HB   LEU  29          HB2       LEU  29  19.435   5.133   3.122
  219   2HB   LEU  29          HB1       LEU  29  21.177   5.038   3.176
  220    HG   LEU  29           HG       LEU  29  19.427   2.637   2.665
  221   1HD1  LEU  29          HD11      LEU  29  20.856   4.298   0.596
  222   2HD1  LEU  29          HD12      LEU  29  19.138   4.460   0.959
  223   3HD1  LEU  29          HD13      LEU  29  19.765   2.938   0.328
  224   1HD2  LEU  29          HD21      LEU  29  21.522   1.743   1.692
  225   2HD2  LEU  29          HD22      LEU  29  21.640   2.070   3.420
  226   3HD2  LEU  29          HD23      LEU  29  22.363   3.185   2.261
  227    H    LYS  30           HN       LYS  30  18.516   5.970   5.202
  228    HA   LYS  30           HA       LYS  30  16.472   4.190   6.305
  229   1HB   LYS  30          HB2       LYS  30  17.124   7.071   6.597
  230   2HB   LYS  30          HB1       LYS  30  15.430   6.622   6.692
  231   1HG   LYS  30          HG2       LYS  30  16.375   6.693   8.904
  232   2HG   LYS  30          HG1       LYS  30  15.991   5.021   8.489
  233   1HD   LYS  30          HD2       LYS  30  18.344   4.638   7.901
  234   2HD   LYS  30          HD1       LYS  30  18.719   6.303   8.352
  235   1HE   LYS  30          HE2       LYS  30  17.609   4.188  10.194
  236   2HE   LYS  30          HE1       LYS  30  19.289   4.720  10.136
  237   1HZ   LYS  30          HZ1       LYS  30  16.950   6.403  10.856
  238   2HZ   LYS  30          HZ2       LYS  30  18.547   6.949  10.755
  239   3HZ   LYS  30          HZ3       LYS  30  18.117   5.807  11.926
  240    H    TYR  31           HN       TYR  31  14.636   3.772   5.275
  241    HA   TYR  31           HA       TYR  31  13.871   5.442   2.988
  242   1HB   TYR  31          HB2       TYR  31  14.592   2.585   2.979
  243   2HB   TYR  31          HB1       TYR  31  13.070   2.952   2.171
  244    HD1  TYR  31           HD1      TYR  31  13.157   3.437  -0.079
  245    HD2  TYR  31           HD2      TYR  31  16.576   4.254   2.316
  246    HE1  TYR  31           HE1      TYR  31  14.384   4.147  -2.087
  247    HE2  TYR  31           HE2      TYR  31  17.813   4.966   0.314
  248    HH   TYR  31           HH       TYR  31  17.737   4.599  -2.127
  249    H    THR  32           HN       THR  32  11.673   5.633   2.640
  250    HA   THR  32           HA       THR  32   9.955   4.558   4.776
  251    HB   THR  32           HB       THR  32   9.824   6.839   5.120
  252    HG1  THR  32           HG1      THR  32   7.776   7.304   4.593
  253   1HG2  THR  32          HG21      THR  32  10.117   7.126   2.138
  254   2HG2  THR  32          HG22      THR  32  11.220   7.669   3.406
  255   3HG2  THR  32          HG23      THR  32   9.665   8.475   3.182
  256    H    CYS  33           HN       CYS  33   7.581   4.431   4.039
  257    HA   CYS  33           HA       CYS  33   7.502   3.419   1.272
  258   1HB   CYS  33          HB2       CYS  33   6.049   2.325   3.690
  259   2HB   CYS  33          HB1       CYS  33   5.838   1.751   2.039
  260    H    LEU  34           HN       LEU  34   6.378   4.606   0.069
  261    HA   LEU  34           HA       LEU  34   4.819   6.737   0.466
  262   1HB   LEU  34          HB2       LEU  34   4.063   4.681  -1.595
  263   2HB   LEU  34          HB1       LEU  34   3.854   6.418  -1.687
  264    HG   LEU  34           HG       LEU  34   6.571   5.104  -1.585
  265   1HD1  LEU  34          HD11      LEU  34   5.093   6.036  -4.041
  266   2HD1  LEU  34          HD12      LEU  34   5.251   4.348  -3.556
  267   3HD1  LEU  34          HD13      LEU  34   6.687   5.284  -3.970
  268   1HD2  LEU  34          HD21      LEU  34   6.538   7.441  -0.939
  269   2HD2  LEU  34          HD22      LEU  34   5.649   7.856  -2.404
  270   3HD2  LEU  34          HD23      LEU  34   7.303   7.254  -2.517
  271    HA   PRO  35           HA       PRO  35   0.996   5.754   2.379
  272   1HB   PRO  35          HB2       PRO  35  -0.765   7.361   1.077
  273   2HB   PRO  35          HB1       PRO  35   0.423   7.966   2.236
  274   1HG   PRO  35          HG2       PRO  35   0.538   7.935  -0.757
  275   2HG   PRO  35          HG1       PRO  35   0.985   9.234   0.366
  276   1HD   PRO  35          HD2       PRO  35   2.822   7.617  -0.778
  277   2HD   PRO  35          HD1       PRO  35   3.026   8.275   0.859
  278    H    GLY  36           HN       GLY  36   0.260   3.734   2.044
  279   1HA   GLY  36          HA2       GLY  36  -1.857   2.760   1.089
  280   2HA   GLY  36          HA1       GLY  36  -1.233   3.275  -0.466
  281    H    TYR  37           HN       TYR  37   1.345   2.124   1.380
  282    HA   TYR  37           HA       TYR  37   1.576  -0.169  -0.195
  283   1HB   TYR  37          HB2       TYR  37   3.104   0.943   2.094
  284   2HB   TYR  37          HB1       TYR  37   3.382  -0.743   1.650
  285    HD1  TYR  37           HD1      TYR  37   3.831   2.730   0.669
  286    HD2  TYR  37           HD2      TYR  37   4.234  -1.305  -0.601
  287    HE1  TYR  37           HE1      TYR  37   5.279   3.460  -1.174
  288    HE2  TYR  37           HE2      TYR  37   5.682  -0.583  -2.451
  289    HH   TYR  37           HH       TYR  37   6.985   2.565  -2.638
  290    H    VAL  38           HN       VAL  38   1.609  -2.320   0.286
  291    HA   VAL  38           HA       VAL  38  -0.413  -3.021   2.300
  292    HB   VAL  38           HB       VAL  38   0.054  -4.356  -0.368
  293   1HG1  VAL  38          HG11      VAL  38  -0.670  -5.964   1.242
  294   2HG1  VAL  38          HG12      VAL  38  -2.035  -5.564   0.198
  295   3HG1  VAL  38          HG13      VAL  38  -1.935  -4.881   1.822
  296   1HG2  VAL  38          HG21      VAL  38  -2.258  -2.668   0.575
  297   2HG2  VAL  38          HG22      VAL  38  -2.102  -3.446  -0.998
  298   3HG2  VAL  38          HG23      VAL  38  -1.004  -2.143  -0.547
  299    H    ARG  39           HN       ARG  39  -0.261  -5.309   2.996
  300    HA   ARG  39           HA       ARG  39   1.722  -6.004   4.506
  301   1HB   ARG  39          HB2       ARG  39  -0.240  -7.414   4.164
  302   2HB   ARG  39          HB1       ARG  39   0.445  -7.998   2.654
  303   1HG   ARG  39          HG2       ARG  39   2.341  -8.944   3.908
  304   2HG   ARG  39          HG1       ARG  39   1.580  -8.415   5.410
  305   1HD   ARG  39          HD2       ARG  39  -0.327  -9.837   4.987
  306   2HD   ARG  39          HD1       ARG  39   0.332 -10.303   3.420
  307    HE   ARG  39           HE       ARG  39   2.247 -10.962   5.301
  308   1HH1  ARG  39          HH11      ARG  39  -1.052 -11.841   4.598
  309   2HH1  ARG  39          HH12      ARG  39  -0.894 -13.445   5.232
  310   1HH2  ARG  39          HH21      ARG  39   2.463 -13.069   6.135
  311   2HH2  ARG  39          HH22      ARG  39   1.104 -14.143   6.106
  312    H    SER  40           HN       SER  40   3.819  -5.954   4.378
  313    HA   SER  40           HA       SER  40   5.437  -7.650   2.982
  314   1HB   SER  40          HB2       SER  40   4.682  -6.654   0.896
  315   2HB   SER  40          HB1       SER  40   5.100  -5.044   1.482
  316    HG   SER  40           HG       SER  40   6.941  -7.172   1.114
  317    H    HIS  41           HN       HIS  41   4.896  -4.708   4.618
  318    HA   HIS  41           HA       HIS  41   7.532  -3.727   4.812
  319   1HB   HIS  41          HB2       HIS  41   6.697  -2.545   6.864
  320   2HB   HIS  41          HB1       HIS  41   5.744  -2.273   5.413
  321    HD1  HIS  41           HD1      HIS  41   5.481  -3.373   8.874
  322    HD2  HIS  41           HD2      HIS  41   3.254  -3.812   5.395
  323    HE1  HIS  41           HE1      HIS  41   3.205  -4.130   9.626
  324    HE2  HIS  41           HE2      HIS  41   1.894  -4.454   7.499
  325    H    SER  42           HN       SER  42   9.167  -4.061   6.218
  326    HA   SER  42           HA       SER  42   9.038  -5.463   8.637
  327   1HB   SER  42          HB2       SER  42   8.516  -7.392   7.170
  328   2HB   SER  42          HB1       SER  42  10.039  -7.130   6.320
  329    HG   SER  42           HG       SER  42  10.084  -8.748   8.031
  330    H    THR  43           HN       THR  43  10.605  -3.769   6.245
  331    HA   THR  43           HA       THR  43  13.094  -3.757   7.807
  332    HB   THR  43           HB       THR  43  13.145  -3.724   4.799
  333    HG1  THR  43           HG1      THR  43  12.853  -5.842   6.516
  334   1HG2  THR  43          HG21      THR  43  15.257  -4.093   6.922
  335   2HG2  THR  43          HG22      THR  43  15.096  -2.744   5.796
  336   3HG2  THR  43          HG23      THR  43  15.532  -4.347   5.198
  337    H    GLN  44           HN       GLN  44  12.509  -2.227   4.721
  338    HA   GLN  44           HA       GLN  44  12.197  -0.065   4.074
  339   1HB   GLN  44          HB2       GLN  44  11.848   0.563   7.011
  340   2HB   GLN  44          HB1       GLN  44  11.487   1.643   5.672
  341   1HG   GLN  44          HG2       GLN  44   9.773   0.062   4.889
  342   2HG   GLN  44          HG1       GLN  44  10.109  -0.962   6.285
  343   1HE2  GLN  44          HE21      GLN  44   9.481  -0.281   8.333
  344   2HE2  GLN  44          HE22      GLN  44   8.330   0.986   8.567
  345    H    THR  45           HN       THR  45  14.740  -1.347   5.092
  346    HA   THR  45           HA       THR  45  16.345   1.098   5.009
  347    HB   THR  45           HB       THR  45  17.886   0.226   6.742
  348    HG1  THR  45           HG1      THR  45  15.902  -1.561   7.614
  349   1HG2  THR  45          HG21      THR  45  15.035   0.561   7.675
  350   2HG2  THR  45          HG22      THR  45  16.187   1.862   7.366
  351   3HG2  THR  45          HG23      THR  45  16.473   0.724   8.683
  352    H    LEU  46           HN       LEU  46  18.238   0.900   3.855
  353    HA   LEU  46           HA       LEU  46  18.674  -1.738   2.619
  354   1HB   LEU  46          HB2       LEU  46  19.835   0.785   1.507
  355   2HB   LEU  46          HB1       LEU  46  19.446  -0.712   0.682
  356    HG   LEU  46           HG       LEU  46  17.512   1.393   1.622
  357   1HD1  LEU  46          HD11      LEU  46  18.693   1.956  -0.435
  358   2HD1  LEU  46          HD12      LEU  46  16.996   1.606  -0.767
  359   3HD1  LEU  46          HD13      LEU  46  18.234   0.404  -1.137
  360   1HD2  LEU  46          HD21      LEU  46  16.842  -1.173   0.215
  361   2HD2  LEU  46          HD22      LEU  46  15.723   0.058   0.800
  362   3HD2  LEU  46          HD23      LEU  46  16.647  -0.913   1.948
  363    H    THR  47           HN       THR  47  20.756  -2.552   2.458
  364    HA   THR  47           HA       THR  47  22.910  -1.149   3.865
  365    HB   THR  47           HB       THR  47  22.308  -4.046   4.475
  366    HG1  THR  47           HG1      THR  47  21.164  -3.402   6.214
  367   1HG2  THR  47          HG21      THR  47  24.042  -1.998   5.862
  368   2HG2  THR  47          HG22      THR  47  24.620  -3.300   4.823
  369   3HG2  THR  47          HG23      THR  47  23.828  -3.678   6.352
  370    H    CYS  48           HN       CYS  48  25.016  -1.780   3.173
  371    HA   CYS  48           HA       CYS  48  24.985  -2.956   0.558
  372   1HB   CYS  48          HB2       CYS  48  26.480  -1.037   1.094
  373   2HB   CYS  48          HB1       CYS  48  27.344  -2.049   2.236
  374    H    ASN  49           HN       ASN  49  24.961  -5.061   0.276
  375    HA   ASN  49           HA       ASN  49  26.011  -6.820   2.349
  376   1HB   ASN  49          HB2       ASN  49  24.858  -8.605   1.145
  377   2HB   ASN  49          HB1       ASN  49  23.762  -7.253   1.419
  378   1HD2  ASN  49          HD21      ASN  49  23.170  -5.942  -0.317
  379   2HD2  ASN  49          HD22      ASN  49  23.347  -6.472  -1.953
  380    H    SER  50           HN       SER  50  26.740  -9.045   0.894
  381    HA   SER  50           HA       SER  50  29.128  -8.053  -0.510
  382   1HB   SER  50          HB2       SER  50  29.589  -9.314   1.561
  383   2HB   SER  50          HB1       SER  50  28.726 -10.705   0.905
  384    HG   SER  50           HG       SER  50  31.043 -10.778   0.638
  385    H    ASP  51           HN       ASP  51  27.091  -8.051  -2.153
  386    HA   ASP  51           HA       ASP  51  27.335 -10.508  -3.792
  387   1HB   ASP  51          HB2       ASP  51  25.060 -10.233  -2.832
  388   2HB   ASP  51          HB1       ASP  51  24.938  -8.672  -3.640
  389    H    GLY  52           HN       GLY  52  26.942  -7.001  -3.713
  390   1HA   GLY  52          HA2       GLY  52  28.683  -6.012  -5.381
  391   2HA   GLY  52          HA1       GLY  52  27.660  -6.834  -6.554
  392    H    GLU  53           HN       GLU  53  25.648  -6.054  -4.186
  393    HA   GLU  53           HA       GLU  53  25.275  -3.225  -4.781
  394   1HB   GLU  53          HB2       GLU  53  23.082  -3.462  -5.714
  395   2HB   GLU  53          HB1       GLU  53  24.186  -4.475  -6.635
  396   1HG   GLU  53          HG2       GLU  53  23.425  -6.406  -5.251
  397   2HG   GLU  53          HG1       GLU  53  22.201  -5.354  -4.559
  398    H    TRP  54           HN       TRP  54  22.525  -3.228  -4.054
  399    HA   TRP  54           HA       TRP  54  22.829  -3.315  -1.169
  400   1HB   TRP  54          HB2       TRP  54  20.790  -2.028  -2.982
  401   2HB   TRP  54          HB1       TRP  54  20.747  -1.942  -1.228
  402    HD1  TRP  54           HD1      TRP  54  22.320  -0.341  -4.236
  403    HE1  TRP  54           HE1      TRP  54  23.883   1.558  -3.478
  404    HE3  TRP  54           HE3      TRP  54  22.405  -1.330   0.753
  405    HZ2  TRP  54           HZ2      TRP  54  25.015   2.508  -1.065
  406    HZ3  TRP  54           HZ3      TRP  54  23.743   0.114   2.231
  407    HH2  TRP  54           HH2      TRP  54  25.019   1.991   1.337
  408    H    VAL  55           HN       VAL  55  21.967  -4.846   0.014
  409    HA   VAL  55           HA       VAL  55  19.779  -6.502  -1.057
  410    HB   VAL  55           HB       VAL  55  22.122  -7.074   0.646
  411   1HG1  VAL  55          HG11      VAL  55  20.445  -7.155   2.375
  412   2HG1  VAL  55          HG12      VAL  55  20.964  -8.793   1.975
  413   3HG1  VAL  55          HG13      VAL  55  19.421  -8.185   1.376
  414   1HG2  VAL  55          HG21      VAL  55  20.270  -8.787  -1.006
  415   2HG2  VAL  55          HG22      VAL  55  21.766  -9.338  -0.251
  416   3HG2  VAL  55          HG23      VAL  55  21.817  -8.114  -1.521
  417    H    TYR  56           HN       TYR  56  17.895  -6.746   0.293
  418    HA   TYR  56           HA       TYR  56  17.742  -5.666   2.868
  419   1HB   TYR  56          HB2       TYR  56  16.312  -3.588   2.205
  420   2HB   TYR  56          HB1       TYR  56  18.065  -3.493   2.084
  421    HD1  TYR  56           HD1      TYR  56  19.071  -2.883   0.067
  422    HD2  TYR  56           HD2      TYR  56  15.026  -4.199   0.047
  423    HE1  TYR  56           HE1      TYR  56  18.886  -2.261  -2.304
  424    HE2  TYR  56           HE2      TYR  56  14.830  -3.580  -2.324
  425    HH   TYR  56           HH       TYR  56  17.531  -2.814  -4.253
  426    H    ASN  57           HN       ASN  57  16.543  -7.495   0.589
  427    HA   ASN  57           HA       ASN  57  14.649  -8.708   0.272
  428   1HB   ASN  57          HB2       ASN  57  13.854  -7.574   2.963
  429   2HB   ASN  57          HB1       ASN  57  13.084  -8.937   2.155
  430   1HD2  ASN  57          HD21      ASN  57  14.158 -10.902   2.032
  431   2HD2  ASN  57          HD22      ASN  57  15.519 -11.269   3.031
  432    H    THR  58           HN       THR  58  12.121  -8.464   0.256
  433    HA   THR  58           HA       THR  58  11.605  -5.859  -0.982
  434    HB   THR  58           HB       THR  58   9.881  -8.339  -1.132
  435    HG1  THR  58           HG1      THR  58  11.662  -7.394  -3.135
  436   1HG2  THR  58          HG21      THR  58   9.960  -5.818  -2.795
  437   2HG2  THR  58          HG22      THR  58   8.705  -6.262  -1.639
  438   3HG2  THR  58          HG23      THR  58   8.931  -7.217  -3.104
  439    H    PHE  59           HN       PHE  59  11.123  -4.539   0.690
  440    HA   PHE  59           HA       PHE  59   8.969  -5.306   2.525
  441   1HB   PHE  59          HB2       PHE  59   9.714  -3.171   3.722
  442   2HB   PHE  59          HB1       PHE  59  10.859  -4.513   3.711
  443    HD1  PHE  59           HD1      PHE  59  10.126  -1.182   2.358
  444    HD2  PHE  59           HD2      PHE  59  12.911  -4.395   2.518
  445    HE1  PHE  59           HE1      PHE  59  11.850   0.265   1.363
  446    HE2  PHE  59           HE2      PHE  59  14.638  -2.953   1.527
  447    HZ   PHE  59           HZ       PHE  59  14.108  -0.624   0.946
  448    H    CYS  60           HN       CYS  60   7.028  -4.239   2.565
  449    HA   CYS  60           HA       CYS  60   5.285  -2.960   1.838
  450   1HB   CYS  60          HB2       CYS  60   7.424  -1.046   0.864
  451   2HB   CYS  60          HB1       CYS  60   5.730  -0.665   1.151
  452    H    ILE  61           HN       ILE  61   4.295  -4.069   0.206
  453    HA   ILE  61           HA       ILE  61   5.583  -4.118  -2.419
  454    HB   ILE  61           HB       ILE  61   3.839  -5.808  -3.009
  455   1HG1  ILE  61          HG12      ILE  61   3.290  -5.748  -0.034
  456   2HG1  ILE  61          HG11      ILE  61   2.197  -5.132  -1.271
  457   1HG2  ILE  61          HG21      ILE  61   4.886  -7.601  -1.627
  458   2HG2  ILE  61          HG22      ILE  61   5.707  -6.333  -0.721
  459   3HG2  ILE  61          HG23      ILE  61   6.031  -6.535  -2.441
  460   1HD1  ILE  61          HD11      ILE  61   1.853  -7.314  -2.153
  461   2HD1  ILE  61          HD12      ILE  61   1.629  -7.392  -0.406
  462   3HD1  ILE  61          HD13      ILE  61   3.122  -7.987  -1.131
  463    H    TYR  62           HN       TYR  62   2.474  -3.278  -0.960
  464    HA   TYR  62           HA       TYR  62   0.858  -1.717  -1.698
  465   1HB   TYR  62          HB2       TYR  62   3.146  -0.717  -2.732
  466   2HB   TYR  62          HB1       TYR  62   2.281  -1.109  -4.217
  467    HD1  TYR  62           HD1      TYR  62  -0.441  -0.393  -3.773
  468    HD2  TYR  62           HD2      TYR  62   3.066   1.484  -2.270
  469    HE1  TYR  62           HE1      TYR  62  -1.676   1.726  -3.551
  470    HE2  TYR  62           HE2      TYR  62   1.852   3.601  -2.042
  471    HH   TYR  62           HH       TYR  62  -0.031   4.674  -2.431
  472    H    LYS  63           HN       LYS  63  -0.926  -2.544  -2.293
  473    HA   LYS  63           HA       LYS  63  -1.467  -3.469  -4.908
  474   1HB   LYS  63          HB2       LYS  63  -2.091  -5.793  -4.342
  475   2HB   LYS  63          HB1       LYS  63  -0.365  -5.506  -4.179
  476   1HG   LYS  63          HG2       LYS  63  -0.673  -5.263  -1.744
  477   2HG   LYS  63          HG1       LYS  63  -2.380  -5.656  -1.947
  478   1HD   LYS  63          HD2       LYS  63  -1.855  -7.841  -2.715
  479   2HD   LYS  63          HD1       LYS  63  -0.141  -7.457  -2.842
  480   1HE   LYS  63          HE2       LYS  63  -0.339  -8.693  -0.881
  481   2HE   LYS  63          HE1       LYS  63  -0.238  -7.029  -0.332
  482   1HZ   LYS  63          HZ1       LYS  63  -1.960  -7.961   0.897
  483   2HZ   LYS  63          HZ2       LYS  63  -2.605  -8.789  -0.427
  484   3HZ   LYS  63          HZ3       LYS  63  -2.762  -7.108  -0.324
  485    H    ARG  64           HN       ARG  64  -3.326  -2.383  -5.092
  486    HA   ARG  64           HA       ARG  64  -5.134  -2.191  -2.814
  487   1HB   ARG  64          HB2       ARG  64  -6.344  -0.563  -4.362
  488   2HB   ARG  64          HB1       ARG  64  -4.750  -0.090  -3.793
  489   1HG   ARG  64          HG2       ARG  64  -4.872  -1.534  -6.369
  490   2HG   ARG  64          HG1       ARG  64  -5.499   0.117  -6.335
  491   1HD   ARG  64          HD2       ARG  64  -2.797  -0.614  -5.237
  492   2HD   ARG  64          HD1       ARG  64  -3.044  -0.158  -6.924
  493    HE   ARG  64           HE       ARG  64  -4.003   1.692  -4.888
  494   1HH1  ARG  64          HH11      ARG  64  -1.560   0.854  -7.225
  495   2HH1  ARG  64          HH12      ARG  64  -0.908   2.457  -7.309
  496   1HH2  ARG  64          HH21      ARG  64  -3.153   3.805  -4.993
  497   2HH2  ARG  64          HH22      ARG  64  -1.813   4.133  -6.041
  498    H    CYS  65           HN       CYS  65  -7.504  -1.717  -4.290
  499    HA   CYS  65           HA       CYS  65  -8.082  -4.325  -5.518
  500   1HB   CYS  65          HB2       CYS  65 -10.075  -2.967  -3.728
  501   2HB   CYS  65          HB1       CYS  65 -10.014  -4.652  -4.230
  502    H    ARG  66           HN       ARG  66  -9.888  -4.290  -7.007
  503    HA   ARG  66           HA       ARG  66  -9.961  -1.947  -8.556
  504   1HB   ARG  66          HB2       ARG  66 -10.400  -4.171  -9.517
  505   2HB   ARG  66          HB1       ARG  66 -11.879  -4.294  -8.576
  506   1HG   ARG  66          HG2       ARG  66 -12.346  -3.721 -10.891
  507   2HG   ARG  66          HG1       ARG  66 -12.834  -2.419  -9.803
  508   1HD   ARG  66          HD2       ARG  66 -10.842  -1.166 -10.346
  509   2HD   ARG  66          HD1       ARG  66 -10.241  -2.492 -11.340
  510    HE   ARG  66           HE       ARG  66 -12.768  -1.670 -12.279
  511   1HH1  ARG  66          HH11      ARG  66  -9.454  -0.605 -12.134
  512   2HH1  ARG  66          HH12      ARG  66  -9.561   0.344 -13.579
  513   1HH2  ARG  66          HH21      ARG  66 -12.917  -0.423 -14.184
  514   2HH2  ARG  66          HH22      ARG  66 -11.530   0.448 -14.744
  515    H    HIS  67           HN       HIS  67 -11.478  -0.334  -8.753
  516    HA   HIS  67           HA       HIS  67 -12.671   0.658  -6.507
  517   1HB   HIS  67          HB2       HIS  67 -13.439   1.063  -9.398
  518   2HB   HIS  67          HB1       HIS  67 -14.030   2.048  -8.071
  519    HD1  HIS  67           HD1      HIS  67 -11.240   1.715 -10.397
  520    HD2  HIS  67           HD2      HIS  67 -11.934   3.564  -6.740
  521    HE1  HIS  67           HE1      HIS  67  -9.377   3.381 -10.123
  522    HE2  HIS  67           HE2      HIS  67  -9.842   4.522  -7.925
  523    HA   PRO  68           HA       PRO  68 -15.998  -2.188  -5.405
  524   1HB   PRO  68          HB2       PRO  68 -16.972   0.512  -4.555
  525   2HB   PRO  68          HB1       PRO  68 -17.083  -1.035  -3.709
  526   1HG   PRO  68          HG2       PRO  68 -15.212   0.739  -3.051
  527   2HG   PRO  68          HG1       PRO  68 -14.847  -0.996  -3.083
  528   1HD   PRO  68          HD2       PRO  68 -13.983   1.143  -4.931
  529   2HD   PRO  68          HD1       PRO  68 -13.229  -0.425  -4.585
  530    H    GLY  69           HN       GLY  69 -16.514   0.955  -6.955
  531   1HA   GLY  69          HA2       GLY  69 -17.736   1.093  -9.038
  532   2HA   GLY  69          HA1       GLY  69 -18.746  -0.232  -8.471
  533    H    GLU  70           HN       GLU  70 -20.200   1.637  -9.324
  534    HA   GLU  70           HA       GLU  70 -20.723   3.736  -7.398
  535   1HB   GLU  70          HB2       GLU  70 -20.992   4.083  -9.874
  536   2HB   GLU  70          HB1       GLU  70 -22.340   2.955  -9.831
  537   1HG   GLU  70          HG2       GLU  70 -23.172   5.206  -9.823
  538   2HG   GLU  70          HG1       GLU  70 -23.512   4.449  -8.268
  539    H    LEU  71           HN       LEU  71 -22.099   3.792  -5.865
  540    HA   LEU  71           HA       LEU  71 -23.769   1.438  -5.367
  541   1HB   LEU  71          HB2       LEU  71 -22.412   1.960  -3.499
  542   2HB   LEU  71          HB1       LEU  71 -22.723   3.678  -3.647
  543    HG   LEU  71           HG       LEU  71 -25.066   3.247  -2.953
  544   1HD1  LEU  71          HD11      LEU  71 -25.512   1.088  -1.784
  545   2HD1  LEU  71          HD12      LEU  71 -24.023   0.470  -2.507
  546   3HD1  LEU  71          HD13      LEU  71 -25.366   0.965  -3.540
  547   1HD2  LEU  71          HD21      LEU  71 -23.172   3.916  -1.413
  548   2HD2  LEU  71          HD22      LEU  71 -23.162   2.233  -0.882
  549   3HD2  LEU  71          HD23      LEU  71 -24.608   3.222  -0.662
  550    H    ARG  72           HN       ARG  72 -25.588   1.712  -6.557
  551    HA   ARG  72           HA       ARG  72 -26.816   4.243  -6.977
  552   1HB   ARG  72          HB2       ARG  72 -27.089   2.193  -8.472
  553   2HB   ARG  72          HB1       ARG  72 -28.174   1.550  -7.246
  554   1HG   ARG  72          HG2       ARG  72 -29.706   3.376  -7.570
  555   2HG   ARG  72          HG1       ARG  72 -28.591   4.155  -8.696
  556   1HD   ARG  72          HD2       ARG  72 -30.341   3.023  -9.923
  557   2HD   ARG  72          HD1       ARG  72 -28.796   2.218 -10.201
  558    HE   ARG  72           HE       ARG  72 -30.386   1.080  -8.079
  559   1HH1  ARG  72          HH11      ARG  72 -29.625   1.031 -11.478
  560   2HH1  ARG  72          HH12      ARG  72 -30.193  -0.589 -11.713
  561   1HH2  ARG  72          HH21      ARG  72 -31.137  -1.051  -8.378
  562   2HH2  ARG  72          HH22      ARG  72 -31.053  -1.772  -9.952
  563    H    ASN  73           HN       ASN  73 -28.184   5.345  -5.967
  564    HA   ASN  73           HA       ASN  73 -29.626   6.104  -4.424
  565   1HB   ASN  73          HB2       ASN  73 -29.945   3.204  -3.588
  566   2HB   ASN  73          HB1       ASN  73 -30.948   4.540  -3.027
  567   1HD2  ASN  73          HD21      ASN  73 -30.179   2.449  -5.681
  568   2HD2  ASN  73          HD22      ASN  73 -31.546   2.848  -6.659
  569    H    GLY  74           HN       GLY  74 -26.639   5.260  -4.009
  570   1HA   GLY  74          HA2       GLY  74 -26.678   6.174  -1.240
  571   2HA   GLY  74          HA1       GLY  74 -25.913   4.631  -1.567
  572    H    GLN  75           HN       GLN  75 -24.103   5.722  -0.563
  573    HA   GLN  75           HA       GLN  75 -22.519   7.178  -2.557
  574   1HB   GLN  75          HB2       GLN  75 -23.187   8.046   0.202
  575   2HB   GLN  75          HB1       GLN  75 -21.533   8.309  -0.334
  576   1HG   GLN  75          HG2       GLN  75 -22.691  10.291  -0.816
  577   2HG   GLN  75          HG1       GLN  75 -22.500   9.459  -2.358
  578   1HE2  GLN  75          HE21      GLN  75 -24.815   8.561   0.107
  579   2HE2  GLN  75          HE22      GLN  75 -26.226   8.991  -0.791
  580    H    VAL  76           HN       VAL  76 -20.411   6.622  -2.685
  581    HA   VAL  76           HA       VAL  76 -19.557   4.382  -0.974
  582    HB   VAL  76           HB       VAL  76 -18.344   5.183  -3.618
  583   1HG1  VAL  76          HG11      VAL  76 -18.163   2.571  -2.128
  584   2HG1  VAL  76          HG12      VAL  76 -16.970   3.860  -1.982
  585   3HG1  VAL  76          HG13      VAL  76 -17.234   3.075  -3.541
  586   1HG2  VAL  76          HG21      VAL  76 -20.683   4.540  -3.938
  587   2HG2  VAL  76          HG22      VAL  76 -20.390   3.036  -3.064
  588   3HG2  VAL  76          HG23      VAL  76 -19.589   3.330  -4.607
  589    H    GLU  77           HN       GLU  77 -18.398   5.166   0.718
  590    HA   GLU  77           HA       GLU  77 -16.917   7.576   0.602
  591   1HB   GLU  77          HB2       GLU  77 -17.765   6.800   2.720
  592   2HB   GLU  77          HB1       GLU  77 -16.871   5.293   2.580
  593   1HG   GLU  77          HG2       GLU  77 -14.783   6.433   2.845
  594   2HG   GLU  77          HG1       GLU  77 -15.579   8.003   2.788
  595    H    ILE  78           HN       ILE  78 -15.568   7.365  -1.212
  596    HA   ILE  78           HA       ILE  78 -13.365   5.433  -0.957
  597    HB   ILE  78           HB       ILE  78 -14.300   7.021  -3.349
  598   1HG1  ILE  78          HG12      ILE  78 -15.705   5.087  -2.754
  599   2HG1  ILE  78          HG11      ILE  78 -14.877   4.847  -4.287
  600   1HG2  ILE  78          HG21      ILE  78 -11.845   6.789  -3.292
  601   2HG2  ILE  78          HG22      ILE  78 -12.582   5.915  -4.634
  602   3HG2  ILE  78          HG23      ILE  78 -12.035   5.038  -3.205
  603   1HD1  ILE  78          HD11      ILE  78 -13.206   3.457  -3.125
  604   2HD1  ILE  78          HD12      ILE  78 -14.844   2.809  -3.025
  605   3HD1  ILE  78          HD13      ILE  78 -14.138   3.637  -1.637
  606    H    LYS  79           HN       LYS  79 -11.298   6.108  -0.731
  607    HA   LYS  79           HA       LYS  79 -10.485   8.795  -1.263
  608   1HB   LYS  79          HB2       LYS  79  -9.862   9.367   1.058
  609   2HB   LYS  79          HB1       LYS  79 -11.599   9.216   0.853
  610   1HG   LYS  79          HG2       LYS  79  -9.836   7.058   1.990
  611   2HG   LYS  79          HG1       LYS  79 -10.715   8.241   2.959
  612   1HD   LYS  79          HD2       LYS  79 -12.821   7.429   1.839
  613   2HD   LYS  79          HD1       LYS  79 -11.857   6.111   1.164
  614   1HE   LYS  79          HE2       LYS  79 -11.174   5.572   3.536
  615   2HE   LYS  79          HE1       LYS  79 -12.421   6.700   4.060
  616   1HZ   LYS  79          HZ1       LYS  79 -13.334   4.521   4.077
  617   2HZ   LYS  79          HZ2       LYS  79 -12.804   4.205   2.503
  618   3HZ   LYS  79          HZ3       LYS  79 -14.028   5.338   2.769
  619    H    THR  80           HN       THR  80  -9.752   5.824   0.520
  620    HA   THR  80           HA       THR  80  -6.924   6.201   0.273
  621    HB   THR  80           HB       THR  80  -6.678   4.169   1.451
  622    HG1  THR  80           HG1      THR  80  -9.404   3.608   0.817
  623   1HG2  THR  80          HG21      THR  80  -9.166   5.635   2.323
  624   2HG2  THR  80          HG22      THR  80  -7.514   5.868   2.896
  625   3HG2  THR  80          HG23      THR  80  -8.386   4.388   3.299
  626    H    ASP  81           HN       ASP  81  -8.834   5.786  -2.173
  627    HA   ASP  81           HA       ASP  81  -8.601   4.880  -4.282
  628   1HB   ASP  81          HB2       ASP  81  -5.857   4.437  -3.159
  629   2HB   ASP  81          HB1       ASP  81  -6.275   3.985  -4.809
  630    H    LEU  82           HN       LEU  82  -8.962   3.167  -1.659
  631    HA   LEU  82           HA       LEU  82  -9.617   1.037  -1.185
  632   1HB   LEU  82          HB2       LEU  82  -9.342   0.703  -4.165
  633   2HB   LEU  82          HB1       LEU  82  -9.944  -0.554  -3.105
  634    HG   LEU  82           HG       LEU  82 -11.887   0.364  -3.968
  635   1HD1  LEU  82          HD11      LEU  82 -11.430   2.023  -1.496
  636   2HD1  LEU  82          HD12      LEU  82 -11.921   0.329  -1.501
  637   3HD1  LEU  82          HD13      LEU  82 -12.983   1.557  -2.189
  638   1HD2  LEU  82          HD21      LEU  82 -10.864   2.204  -5.168
  639   2HD2  LEU  82          HD22      LEU  82 -10.654   3.094  -3.659
  640   3HD2  LEU  82          HD23      LEU  82 -12.275   2.763  -4.268
  641    H    SER  83           HN       SER  83  -7.160   1.530  -0.463
  642    HA   SER  83           HA       SER  83  -5.343  -0.418  -1.641
  643   1HB   SER  83          HB2       SER  83  -3.679   0.515  -0.085
  644   2HB   SER  83          HB1       SER  83  -4.464   1.805  -0.997
  645    HG   SER  83           HG       SER  83  -5.252   2.572   0.795
  646    H    PHE  84           HN       PHE  84  -5.021  -2.407  -0.800
  647    HA   PHE  84           HA       PHE  84  -6.651  -3.756   0.832
  648   1HB   PHE  84          HB2       PHE  84  -4.816  -4.868  -0.280
  649   2HB   PHE  84          HB1       PHE  84  -3.645  -4.045   0.743
  650    HD1  PHE  84           HD1      PHE  84  -6.015  -6.784   0.499
  651    HD2  PHE  84           HD2      PHE  84  -3.388  -4.676   3.098
  652    HE1  PHE  84           HE1      PHE  84  -6.110  -8.647   2.102
  653    HE2  PHE  84           HE2      PHE  84  -3.476  -6.535   4.705
  654    HZ   PHE  84           HZ       PHE  84  -4.839  -8.525   4.208
  655    H    GLY  85           HN       GLY  85  -7.037  -4.104   2.980
  656   1HA   GLY  85          HA2       GLY  85  -6.819  -3.869   5.273
  657   2HA   GLY  85          HA1       GLY  85  -5.326  -2.980   5.012
  658    H    SER  86           HN       SER  86  -8.416  -2.158   3.521
  659    HA   SER  86           HA       SER  86  -8.637   0.120   5.352
  660   1HB   SER  86          HB2       SER  86  -8.794   0.311   2.341
  661   2HB   SER  86          HB1       SER  86  -9.197   1.616   3.461
  662    HG   SER  86           HG       SER  86  -6.849   1.092   2.475
  663    H    GLN  87           HN       GLN  87 -10.635   1.099   5.494
  664    HA   GLN  87           HA       GLN  87 -12.872  -0.668   4.764
  665   1HB   GLN  87          HB2       GLN  87 -12.892  -0.675   7.080
  666   2HB   GLN  87          HB1       GLN  87 -12.298   0.974   7.198
  667   1HG   GLN  87          HG2       GLN  87 -15.016   0.510   6.081
  668   2HG   GLN  87          HG1       GLN  87 -14.767   0.366   7.822
  669   1HE2  GLN  87          HE21      GLN  87 -14.912   2.493   5.119
  670   2HE2  GLN  87          HE22      GLN  87 -14.793   3.974   5.995
  671    H    ILE  88           HN       ILE  88 -14.470   0.133   3.539
  672    HA   ILE  88           HA       ILE  88 -14.580   3.044   3.092
  673    HB   ILE  88           HB       ILE  88 -15.386   2.444   0.738
  674   1HG1  ILE  88          HG12      ILE  88 -13.691   0.056   0.734
  675   2HG1  ILE  88          HG11      ILE  88 -15.167  -0.136   1.676
  676   1HG2  ILE  88          HG21      ILE  88 -12.514   2.050   1.556
  677   2HG2  ILE  88          HG22      ILE  88 -13.297   3.559   1.085
  678   3HG2  ILE  88          HG23      ILE  88 -13.053   2.283  -0.107
  679   1HD1  ILE  88          HD11      ILE  88 -15.447  -0.870  -0.631
  680   2HD1  ILE  88          HD12      ILE  88 -15.035   0.751  -1.195
  681   3HD1  ILE  88          HD13      ILE  88 -16.499   0.492  -0.246
  682    H    GLU  89           HN       GLU  89 -16.305   3.380   4.437
  683    HA   GLU  89           HA       GLU  89 -18.591   1.750   4.573
  684   1HB   GLU  89          HB2       GLU  89 -18.009   4.568   5.409
  685   2HB   GLU  89          HB1       GLU  89 -19.634   3.915   5.545
  686   1HG   GLU  89          HG2       GLU  89 -18.824   2.136   6.971
  687   2HG   GLU  89          HG1       GLU  89 -17.174   2.736   6.813
  688    H    PHE  90           HN       PHE  90 -20.807   3.029   4.300
  689    HA   PHE  90           HA       PHE  90 -20.936   4.136   1.585
  690   1HB   PHE  90          HB2       PHE  90 -22.839   2.043   2.648
  691   2HB   PHE  90          HB1       PHE  90 -22.825   2.738   1.030
  692    HD1  PHE  90           HD1      PHE  90 -21.018   2.169  -0.548
  693    HD2  PHE  90           HD2      PHE  90 -21.367   0.277   3.253
  694    HE1  PHE  90           HE1      PHE  90 -19.525   0.368  -1.310
  695    HE2  PHE  90           HE2      PHE  90 -19.874  -1.525   2.495
  696    HZ   PHE  90           HZ       PHE  90 -18.951  -1.480   0.212
  697    H    SER  91           HN       SER  91 -23.362   4.886   1.228
  698    HA   SER  91           HA       SER  91 -24.628   5.838   3.635
  699   1HB   SER  91          HB2       SER  91 -23.355   7.798   1.723
  700   2HB   SER  91          HB1       SER  91 -24.506   8.233   2.985
  701    HG   SER  91           HG       SER  91 -23.001   7.989   4.453
  702    H    CYS  92           HN       CYS  92 -26.643   5.301   3.222
  703    HA   CYS  92           HA       CYS  92 -27.684   5.480   0.513
  704   1HB   CYS  92          HB2       CYS  92 -28.911   4.467   3.087
  705   2HB   CYS  92          HB1       CYS  92 -29.792   4.557   1.567
  706    H    SER  93           HN       SER  93 -28.472   7.336  -0.218
  707    HA   SER  93           HA       SER  93 -28.740   9.674   1.186
  708   1HB   SER  93          HB2       SER  93 -30.068   8.717  -1.332
  709   2HB   SER  93          HB1       SER  93 -30.406  10.322  -0.679
  710    HG   SER  93           HG       SER  93 -28.001  10.525  -0.669
  711    H    GLU  94           HN       GLU  94 -30.713  10.981   1.541
  712    HA   GLU  94           HA       GLU  94 -32.278  10.100   3.574
  713   1HB   GLU  94          HB2       GLU  94 -32.347  12.396   3.137
  714   2HB   GLU  94          HB1       GLU  94 -32.766  12.158   1.446
  715   1HG   GLU  94          HG2       GLU  94 -34.994  11.498   2.037
  716   2HG   GLU  94          HG1       GLU  94 -34.596  11.552   3.754
  717    H    GLY  95           HN       GLY  95 -34.398   9.347   3.806
  718   1HA   GLY  95          HA2       GLY  95 -36.313   8.183   3.243
  719   2HA   GLY  95          HA1       GLY  95 -35.928   8.450   1.550
  720    H    PHE  96           HN       PHE  96 -33.242   7.225   1.785
  721    HA   PHE  96           HA       PHE  96 -34.156   4.426   1.893
  722   1HB   PHE  96          HB2       PHE  96 -31.815   5.435   0.269
  723   2HB   PHE  96          HB1       PHE  96 -32.627   3.879   0.145
  724    HD1  PHE  96           HD1      PHE  96 -34.694   3.644  -1.068
  725    HD2  PHE  96           HD2      PHE  96 -32.785   7.431  -0.710
  726    HE1  PHE  96           HE1      PHE  96 -36.120   4.528  -2.867
  727    HE2  PHE  96           HE2      PHE  96 -34.210   8.322  -2.507
  728    HZ   PHE  96           HZ       PHE  96 -35.880   6.871  -3.589
  729    H    PHE  97           HN       PHE  97 -33.186   3.167   3.359
  730    HA   PHE  97           HA       PHE  97 -30.886   4.279   4.788
  731   1HB   PHE  97          HB2       PHE  97 -31.437   2.809   6.607
  732   2HB   PHE  97          HB1       PHE  97 -32.907   3.619   6.087
  733    HD1  PHE  97           HD1      PHE  97 -31.494   0.550   6.976
  734    HD2  PHE  97           HD2      PHE  97 -34.337   2.282   4.325
  735    HE1  PHE  97           HE1      PHE  97 -32.627  -1.625   6.774
  736    HE2  PHE  97           HE2      PHE  97 -35.472   0.110   4.116
  737    HZ   PHE  97           HZ       PHE  97 -34.619  -1.847   5.343
  738    H    LEU  98           HN       LEU  98 -29.365   2.620   5.681
  739    HA   LEU  98           HA       LEU  98 -28.211   1.204   3.433
  740   1HB   LEU  98          HB2       LEU  98 -26.986   2.690   5.124
  741   2HB   LEU  98          HB1       LEU  98 -27.121   1.340   6.231
  742    HG   LEU  98           HG       LEU  98 -24.930   1.510   5.054
  743   1HD1  LEU  98          HD11      LEU  98 -26.501  -0.995   4.497
  744   2HD1  LEU  98          HD12      LEU  98 -25.702  -0.596   6.016
  745   3HD1  LEU  98          HD13      LEU  98 -24.743  -0.859   4.559
  746   1HD2  LEU  98          HD21      LEU  98 -25.686   2.297   2.903
  747   2HD2  LEU  98          HD22      LEU  98 -26.575   0.796   2.639
  748   3HD2  LEU  98          HD23      LEU  98 -24.813   0.776   2.717
  749    H    ILE  99           HN       ILE  99 -28.090  -0.941   3.178
  750    HA   ILE  99           HA       ILE  99 -28.547  -2.811   5.361
  751    HB   ILE  99           HB       ILE  99 -30.138  -3.564   3.044
  752   1HG1  ILE  99          HG12      ILE  99 -31.264  -1.302   4.662
  753   2HG1  ILE  99          HG11      ILE  99 -30.387  -1.014   3.165
  754   1HG2  ILE  99          HG21      ILE  99 -31.822  -4.008   4.814
  755   2HG2  ILE  99          HG22      ILE  99 -30.693  -3.332   5.990
  756   3HG2  ILE  99          HG23      ILE  99 -30.263  -4.784   5.086
  757   1HD1  ILE  99          HD11      ILE  99 -32.005  -2.418   1.970
  758   2HD1  ILE  99          HD12      ILE  99 -32.754  -1.023   2.746
  759   3HD1  ILE  99          HD13      ILE  99 -32.906  -2.625   3.471
  760    H    GLY 100           HN       GLY 100 -27.065  -4.278   5.131
  761   1HA   GLY 100          HA2       GLY 100 -26.509  -6.128   3.353
  762   2HA   GLY 100          HA1       GLY 100 -25.817  -4.733   2.526
  763    H    SER 101           HN       SER 101 -24.400  -3.378   3.956
  764    HA   SER 101           HA       SER 101 -22.998  -4.333   6.154
  765   1HB   SER 101          HB2       SER 101 -22.215  -6.122   4.618
  766   2HB   SER 101          HB1       SER 101 -21.582  -4.890   3.528
  767    HG   SER 101           HG       SER 101 -20.204  -5.979   5.317
  768    H    THR 102           HN       THR 102 -22.862  -2.236   6.836
  769    HA   THR 102           HA       THR 102 -22.475  -0.055   5.103
  770    HB   THR 102           HB       THR 102 -21.639   0.566   7.787
  771    HG1  THR 102           HG1      THR 102 -23.709  -0.055   8.747
  772   1HG2  THR 102          HG21      THR 102 -24.175   1.223   6.295
  773   2HG2  THR 102          HG22      THR 102 -22.666   2.126   6.177
  774   3HG2  THR 102          HG23      THR 102 -23.542   2.069   7.706
  775    H    THR 103           HN       THR 103 -20.300  -2.351   6.135
  776    HA   THR 103           HA       THR 103 -18.073  -0.484   5.701
  777    HB   THR 103           HB       THR 103 -16.693  -2.116   6.980
  778    HG1  THR 103           HG1      THR 103 -17.602  -3.943   7.510
  779   1HG2  THR 103          HG21      THR 103 -17.766  -1.488   9.229
  780   2HG2  THR 103          HG22      THR 103 -18.962  -0.635   8.250
  781   3HG2  THR 103          HG23      THR 103 -17.260  -0.183   8.156
  782    H    SER 104           HN       SER 104 -16.237  -1.309   4.530
  783    HA   SER 104           HA       SER 104 -16.557  -3.829   3.137
  784   1HB   SER 104          HB2       SER 104 -17.651  -2.209   1.636
  785   2HB   SER 104          HB1       SER 104 -16.216  -1.186   1.689
  786    HG   SER 104           HG       SER 104 -15.642  -2.324   0.018
  787    H    ARG 105           HN       ARG 105 -14.694  -4.802   3.522
  788    HA   ARG 105           HA       ARG 105 -12.255  -3.176   3.831
  789   1HB   ARG 105          HB2       ARG 105 -12.761  -5.990   4.813
  790   2HB   ARG 105          HB1       ARG 105 -11.346  -5.002   5.154
  791   1HG   ARG 105          HG2       ARG 105 -12.756  -3.404   6.360
  792   2HG   ARG 105          HG1       ARG 105 -14.167  -4.412   6.031
  793   1HD   ARG 105          HD2       ARG 105 -11.735  -5.221   7.620
  794   2HD   ARG 105          HD1       ARG 105 -13.315  -4.802   8.281
  795    HE   ARG 105           HE       ARG 105 -13.675  -6.878   6.455
  796   1HH1  ARG 105          HH11      ARG 105 -12.143  -6.317   9.535
  797   2HH1  ARG 105          HH12      ARG 105 -12.327  -7.953  10.070
  798   1HH2  ARG 105          HH21      ARG 105 -13.921  -9.035   7.151
  799   2HH2  ARG 105          HH22      ARG 105 -13.337  -9.498   8.715
  800    H    CYS 106           HN       CYS 106 -10.321  -3.820   2.898
  801    HA   CYS 106           HA       CYS 106 -10.637  -5.281   0.390
  802   1HB   CYS 106          HB2       CYS 106  -8.981  -3.071   1.331
  803   2HB   CYS 106          HB1       CYS 106  -8.057  -4.288   0.458
  804    H    GLU 107           HN       GLU 107 -10.082  -7.326   0.292
  805    HA   GLU 107           HA       GLU 107  -7.975  -8.310   2.095
  806   1HB   GLU 107          HB2       GLU 107 -10.382  -9.036   2.547
  807   2HB   GLU 107          HB1       GLU 107 -10.268  -9.964   1.055
  808   1HG   GLU 107          HG2       GLU 107  -8.379 -11.213   1.980
  809   2HG   GLU 107          HG1       GLU 107  -8.520 -10.298   3.481
  810    H    VAL 108           HN       VAL 108  -7.228 -10.590   1.168
  811    HA   VAL 108           HA       VAL 108  -6.920 -10.332  -1.743
  812    HB   VAL 108           HB       VAL 108  -4.700 -10.600   0.249
  813   1HG1  VAL 108          HG11      VAL 108  -4.349 -10.968  -2.715
  814   2HG1  VAL 108          HG12      VAL 108  -4.579 -12.336  -1.624
  815   3HG1  VAL 108          HG13      VAL 108  -3.184 -11.273  -1.425
  816   1HG2  VAL 108          HG21      VAL 108  -5.224  -8.764  -2.077
  817   2HG2  VAL 108          HG22      VAL 108  -3.773  -8.741  -1.075
  818   3HG2  VAL 108          HG23      VAL 108  -5.340  -8.356  -0.366
  819    H    GLN 109           HN       GLN 109  -7.187 -12.054  -2.853
  820    HA   GLN 109           HA       GLN 109  -7.276 -14.654  -1.532
  821   1HB   GLN 109          HB2       GLN 109  -7.997 -14.173  -4.410
  822   2HB   GLN 109          HB1       GLN 109  -8.604 -15.406  -3.316
  823   1HG   GLN 109          HG2       GLN 109  -9.227 -12.464  -3.183
  824   2HG   GLN 109          HG1       GLN 109 -10.295 -13.726  -3.796
  825   1HE2  GLN 109          HE21      GLN 109 -10.752 -11.850  -1.632
  826   2HE2  GLN 109          HE22      GLN 109 -11.041 -12.799  -0.218
  827    H    ASP 110           HN       ASP 110  -5.141 -15.230  -1.316
  828    HA   ASP 110           HA       ASP 110  -3.148 -16.140  -1.889
  829   1HB   ASP 110          HB2       ASP 110  -4.635 -16.483  -4.472
  830   2HB   ASP 110          HB1       ASP 110  -2.954 -16.985  -4.314
  831    H    ARG 111           HN       ARG 111  -3.477 -14.930  -5.138
  832    HA   ARG 111           HA       ARG 111  -1.580 -12.791  -4.512
  833   1HB   ARG 111          HB2       ARG 111  -0.725 -13.203  -6.908
  834   2HB   ARG 111          HB1       ARG 111  -0.237 -14.323  -5.645
  835   1HG   ARG 111          HG2       ARG 111  -0.790 -15.654  -7.490
  836   2HG   ARG 111          HG1       ARG 111  -2.157 -15.788  -6.383
  837   1HD   ARG 111          HD2       ARG 111  -3.407 -14.170  -7.689
  838   2HD   ARG 111          HD1       ARG 111  -2.030 -13.947  -8.767
  839    HE   ARG 111           HE       ARG 111  -2.630 -16.643  -8.817
  840   1HH1  ARG 111          HH11      ARG 111  -4.230 -13.653  -9.614
  841   2HH1  ARG 111          HH12      ARG 111  -5.203 -14.357 -10.861
  842   1HH2  ARG 111          HH21      ARG 111  -3.908 -17.579 -10.459
  843   2HH2  ARG 111          HH22      ARG 111  -5.021 -16.587 -11.342
  844    H    GLY 112           HN       GLY 112  -4.612 -13.319  -5.298
  845   1HA   GLY 112          HA2       GLY 112  -4.766 -10.951  -7.052
  846   2HA   GLY 112          HA1       GLY 112  -5.882 -12.304  -7.178
  847    H    VAL 113           HN       VAL 113  -5.145  -9.377  -5.619
  848    HA   VAL 113           HA       VAL 113  -6.343  -9.385  -3.208
  849    HB   VAL 113           HB       VAL 113  -7.276  -7.126  -4.843
  850   1HG1  VAL 113          HG11      VAL 113  -6.372  -5.809  -3.070
  851   2HG1  VAL 113          HG12      VAL 113  -5.478  -7.189  -2.437
  852   3HG1  VAL 113          HG13      VAL 113  -7.240  -7.171  -2.361
  853   1HG2  VAL 113          HG21      VAL 113  -5.319  -7.595  -6.114
  854   2HG2  VAL 113          HG22      VAL 113  -4.356  -7.840  -4.655
  855   3HG2  VAL 113          HG23      VAL 113  -4.950  -6.226  -5.065
  856    H    GLY 114           HN       GLY 114  -8.457  -9.483  -2.354
  857   1HA   GLY 114          HA2       GLY 114 -10.527  -9.851  -4.395
  858   2HA   GLY 114          HA1       GLY 114 -10.435 -10.814  -2.928
  859    H    TRP 115           HN       TRP 115 -12.483  -8.847  -4.049
  860    HA   TRP 115           HA       TRP 115 -12.526  -6.865  -1.933
  861   1HB   TRP 115          HB2       TRP 115 -13.658  -7.014  -4.568
  862   2HB   TRP 115          HB1       TRP 115 -14.940  -6.737  -3.398
  863    HD1  TRP 115           HD1      TRP 115 -13.287  -4.690  -5.614
  864    HE1  TRP 115           HE1      TRP 115 -12.742  -2.342  -4.701
  865    HE3  TRP 115           HE3      TRP 115 -13.754  -5.616  -0.604
  866    HZ2  TRP 115           HZ2      TRP 115 -12.533  -1.059  -2.211
  867    HZ3  TRP 115           HZ3      TRP 115 -13.362  -3.769   0.972
  868    HH2  TRP 115           HH2      TRP 115 -12.764  -1.539   0.184
  869    H    SER 116           HN       SER 116 -13.429  -7.288  -0.043
  870    HA   SER 116           HA       SER 116 -14.756  -9.636   0.603
  871   1HB   SER 116          HB2       SER 116 -14.920  -6.953   1.997
  872   2HB   SER 116          HB1       SER 116 -15.406  -8.497   2.698
  873    HG   SER 116           HG       SER 116 -13.319  -8.048   3.353
  874    H    HIS 117           HN       HIS 117 -16.366  -6.456   0.743
  875    HA   HIS 117           HA       HIS 117 -18.696  -7.628  -0.604
  876   1HB   HIS 117          HB2       HIS 117 -18.754  -6.093   2.000
  877   2HB   HIS 117          HB1       HIS 117 -20.183  -6.483   1.048
  878    HD1  HIS 117           HD1      HIS 117 -21.099  -8.853   1.207
  879    HD2  HIS 117           HD2      HIS 117 -17.551  -8.313   3.302
  880    HE1  HIS 117           HE1      HIS 117 -20.825 -10.921   2.608
  881    HE2  HIS 117           HE2      HIS 117 -18.722 -10.529   3.939
  882    HA   PRO 118           HA       PRO 118 -18.438  -3.662  -2.640
  883   1HB   PRO 118          HB2       PRO 118 -20.162  -4.152  -4.606
  884   2HB   PRO 118          HB1       PRO 118 -18.628  -5.023  -4.514
  885   1HG   PRO 118          HG2       PRO 118 -21.374  -5.930  -3.775
  886   2HG   PRO 118          HG1       PRO 118 -20.061  -6.839  -4.545
  887   1HD   PRO 118          HD2       PRO 118 -20.727  -6.895  -1.827
  888   2HD   PRO 118          HD1       PRO 118 -19.207  -7.472  -2.537
  889    H    LEU 119           HN       LEU 119 -20.730  -2.685  -4.030
  890    HA   LEU 119           HA       LEU 119 -21.936  -0.992  -2.254
  891   1HB   LEU 119          HB2       LEU 119 -23.239  -2.098  -4.723
  892   2HB   LEU 119          HB1       LEU 119 -23.524  -0.544  -3.984
  893    HG   LEU 119           HG       LEU 119 -22.191   0.066  -5.736
  894   1HD1  LEU 119          HD11      LEU 119 -20.221  -0.669  -3.597
  895   2HD1  LEU 119          HD12      LEU 119 -21.109   0.847  -3.741
  896   3HD1  LEU 119          HD13      LEU 119 -19.891   0.421  -4.944
  897   1HD2  LEU 119          HD21      LEU 119 -21.847  -2.095  -6.699
  898   2HD2  LEU 119          HD22      LEU 119 -20.724  -2.537  -5.414
  899   3HD2  LEU 119          HD23      LEU 119 -20.286  -1.282  -6.573
  900    HA   PRO 120           HA       PRO 120 -24.644  -3.721   0.048
  901   1HB   PRO 120          HB2       PRO 120 -25.827  -1.786   1.535
  902   2HB   PRO 120          HB1       PRO 120 -24.189  -2.368   1.856
  903   1HG   PRO 120          HG2       PRO 120 -25.071   0.079   0.364
  904   2HG   PRO 120          HG1       PRO 120 -23.793  -0.084   1.582
  905   1HD   PRO 120          HD2       PRO 120 -23.257  -0.023  -1.058
  906   2HD   PRO 120          HD1       PRO 120 -22.300  -0.996   0.077
  907    H    GLN 121           HN       GLN 121 -27.107  -2.178   0.924
  908    HA   GLN 121           HA       GLN 121 -28.558  -2.075  -1.631
  909   1HB   GLN 121          HB2       GLN 121 -28.887  -4.281  -0.460
  910   2HB   GLN 121          HB1       GLN 121 -29.615  -3.400   0.871
  911   1HG   GLN 121          HG2       GLN 121 -31.465  -4.059  -0.300
  912   2HG   GLN 121          HG1       GLN 121 -31.188  -2.452  -0.969
  913   1HE2  GLN 121          HE21      GLN 121 -29.216  -5.229  -1.723
  914   2HE2  GLN 121          HE22      GLN 121 -29.712  -5.378  -3.372
  915    H    CYS 122           HN       CYS 122 -29.451  -0.096  -1.819
  916    HA   CYS 122           HA       CYS 122 -30.210   1.305   0.651
  917   1HB   CYS 122          HB2       CYS 122 -29.629   2.320  -2.136
  918   2HB   CYS 122          HB1       CYS 122 -30.324   3.330  -0.873
  919    H    GLU 123           HN       GLU 123 -32.288   0.893   1.175
  920    HA   GLU 123           HA       GLU 123 -34.311   0.974  -0.974
  921   1HB   GLU 123          HB2       GLU 123 -33.982  -1.310  -0.058
  922   2HB   GLU 123          HB1       GLU 123 -34.352  -0.696   1.547
  923   1HG   GLU 123          HG2       GLU 123 -36.292  -1.774   0.651
  924   2HG   GLU 123          HG1       GLU 123 -36.590  -0.037   0.741
  925    H    ILE 124           HN       ILE 124 -36.167   2.024  -0.572
  926    HA   ILE 124           HA       ILE 124 -36.045   4.257   1.154
  927    HB   ILE 124           HB       ILE 124 -37.299   4.173  -1.000
  928   1HG1  ILE 124          HG12      ILE 124 -39.420   5.307   0.014
  929   2HG1  ILE 124          HG11      ILE 124 -38.592   5.084   1.551
  930   1HG2  ILE 124          HG21      ILE 124 -39.282   2.563   0.602
  931   2HG2  ILE 124          HG22      ILE 124 -38.317   1.983  -0.757
  932   3HG2  ILE 124          HG23      ILE 124 -39.553   3.213  -1.015
  933   1HD1  ILE 124          HD11      ILE 124 -38.127   7.278   0.774
  934   2HD1  ILE 124          HD12      ILE 124 -37.650   6.677  -0.814
  935   3HD1  ILE 124          HD13      ILE 124 -36.653   6.324   0.599
  936    H    LEU 125           HN       LEU 125 -37.364   4.800   2.917
  937    HA   LEU 125           HA       LEU 125 -37.910   2.612   4.714
  938   1HB   LEU 125          HB2       LEU 125 -38.313   5.590   5.037
  939   2HB   LEU 125          HB1       LEU 125 -38.483   4.406   6.317
  940    HG   LEU 125           HG       LEU 125 -35.910   4.955   4.836
  941   1HD1  LEU 125          HD11      LEU 125 -36.582   6.900   6.131
  942   2HD1  LEU 125          HD12      LEU 125 -35.203   6.097   6.884
  943   3HD1  LEU 125          HD13      LEU 125 -36.821   5.886   7.555
  944   1HD2  LEU 125          HD21      LEU 125 -34.877   3.653   6.608
  945   2HD2  LEU 125          HD22      LEU 125 -36.094   2.693   5.766
  946   3HD2  LEU 125          HD23      LEU 125 -36.455   3.381   7.350
  947    H    GLU 126           HN       GLU 126 -39.827   5.382   3.560
  948    HA   GLU 126           HA       GLU 126 -42.197   3.648   3.478
  949   1HB   GLU 126          HB2       GLU 126 -43.535   5.601   4.332
  950   2HB   GLU 126          HB1       GLU 126 -42.462   4.866   5.515
  951   1HG   GLU 126          HG2       GLU 126 -40.862   6.649   5.231
  952   2HG   GLU 126          HG1       GLU 126 -41.840   7.359   3.947
  953    H    HIS 127           HN       HIS 127 -43.840   4.337   1.993
  954    HA   HIS 127           HA       HIS 127 -42.712   5.734  -0.295
  955   1HB   HIS 127          HB2       HIS 127 -45.274   4.174   0.065
  956   2HB   HIS 127          HB1       HIS 127 -44.822   4.976  -1.435
  957    HD1  HIS 127           HD1      HIS 127 -44.283   1.903   0.504
  958    HD2  HIS 127           HD2      HIS 127 -42.501   3.844  -2.710
  959    HE1  HIS 127           HE1      HIS 127 -42.795   0.187  -0.578
  960    HE2  HIS 127           HE2      HIS 127 -41.790   1.361  -2.567
  961    H    HIS 128           HN       HIS 128 -44.155   7.237  -1.527
  962    HA   HIS 128           HA       HIS 128 -45.711   8.944   0.302
  963   1HB   HIS 128          HB2       HIS 128 -43.958   9.898  -1.974
  964   2HB   HIS 128          HB1       HIS 128 -44.861  10.910  -0.850
  965    HD1  HIS 128           HD1      HIS 128 -43.600  11.710   1.129
  966    HD2  HIS 128           HD2      HIS 128 -41.843   8.358  -0.588
  967    HE1  HIS 128           HE1      HIS 128 -41.451  11.359   2.386
  968    HE2  HIS 128           HE2      HIS 128 -40.449   9.273   1.391
  969    H    HIS 129           HN       HIS 129 -47.298  10.350  -0.825
  970    HA   HIS 129           HA       HIS 129 -48.139   9.418  -3.454
  971   1HB   HIS 129          HB2       HIS 129 -49.332   7.909  -1.984
  972   2HB   HIS 129          HB1       HIS 129 -49.906   9.256  -1.007
  973    HD1  HIS 129           HD1      HIS 129 -50.387   7.687  -4.403
  974    HD2  HIS 129           HD2      HIS 129 -52.203  10.473  -1.913
  975    HE1  HIS 129           HE1      HIS 129 -52.604   8.199  -5.472
  976    HE2  HIS 129           HE2      HIS 129 -53.636   9.970  -4.006
  977    H    HIS 130           HN       HIS 130 -49.983  11.173  -0.993
  978    HA   HIS 130           HA       HIS 130 -50.504  13.307  -2.847
  979   1HB   HIS 130          HB2       HIS 130 -52.204  12.489  -1.229
  980   2HB   HIS 130          HB1       HIS 130 -51.214  13.110   0.088
  981    HD1  HIS 130           HD1      HIS 130 -53.645  14.145  -2.505
  982    HD2  HIS 130           HD2      HIS 130 -51.146  15.951   0.281
  983    HE1  HIS 130           HE1      HIS 130 -54.425  16.531  -2.348
  984    HE2  HIS 130           HE2      HIS 130 -52.834  17.628  -0.732
  985    H    HIS 131           HN       HIS 131 -48.448  12.805  -0.051
  986    HA   HIS 131           HA       HIS 131 -47.729  15.534   0.306
  987   1HB   HIS 131          HB2       HIS 131 -47.492  13.745   2.048
  988   2HB   HIS 131          HB1       HIS 131 -46.147  13.088   1.121
  989    HD1  HIS 131           HD1      HIS 131 -43.917  14.374   1.189
  990    HD2  HIS 131           HD2      HIS 131 -46.942  16.120   3.441
  991    HE1  HIS 131           HE1      HIS 131 -42.781  16.107   2.613
  992    HE2  HIS 131           HE2      HIS 131 -44.643  17.211   3.902
  993    H    HIS 132           HN       HIS 132 -46.999  13.316  -2.093
  994    HA   HIS 132           HA       HIS 132 -44.327  13.804  -2.704
  995   1HB   HIS 132          HB2       HIS 132 -45.651  12.041  -3.781
  996   2HB   HIS 132          HB1       HIS 132 -46.622  13.259  -4.602
  997    HD1  HIS 132           HD1      HIS 132 -43.414  11.433  -4.807
  998    HD2  HIS 132           HD2      HIS 132 -45.271  14.628  -6.707
  999    HE1  HIS 132           HE1      HIS 132 -42.089  11.828  -6.907
 1000    HE2  HIS 132           HE2      HIS 132 -43.283  13.709  -8.084
  Start of MODEL   25
    1   1H    MET   0           HT1      MET   0  33.834  -4.064  -2.581
    2   2H    MET   0           HT2      MET   0  32.352  -3.689  -3.306
    3   3H    MET   0           HT3      MET   0  32.490  -3.699  -1.620
    4    HA   MET   0           HA       MET   0  33.961  -1.829  -1.658
    5   1HB   MET   0          HB2       MET   0  35.046  -2.357  -3.800
    6   2HB   MET   0          HB1       MET   0  33.569  -1.934  -4.657
    7   1HG   MET   0          HG2       MET   0  35.150  -0.130  -4.809
    8   2HG   MET   0          HG1       MET   0  33.771   0.368  -3.831
    9   1HE   MET   0          HE1       MET   0  36.895   2.249  -2.306
   10   2HE   MET   0          HE2       MET   0  35.208   2.479  -2.762
   11   3HE   MET   0          HE3       MET   0  36.384   1.957  -3.969
   12    H    ASN   1           HN       ASN   1  31.303  -2.159  -4.007
   13    HA   ASN   1           HA       ASN   1  29.651  -0.403  -2.424
   14   1HB   ASN   1          HB2       ASN   1  30.961   0.508  -4.917
   15   2HB   ASN   1          HB1       ASN   1  29.249   0.898  -4.749
   16   1HD2  ASN   1          HD21      ASN   1  29.165   1.179  -1.974
   17   2HD2  ASN   1          HD22      ASN   1  30.036   2.606  -1.540
   18    H    CYS   2           HN       CYS   2  27.470  -0.546  -2.899
   19    HA   CYS   2           HA       CYS   2  26.754  -2.902  -4.431
   20   1HB   CYS   2          HB2       CYS   2  25.235  -1.135  -2.528
   21   2HB   CYS   2          HB1       CYS   2  24.462  -2.429  -3.436
   22    H    GLY   3           HN       GLY   3  27.069   0.316  -5.159
   23   1HA   GLY   3          HA2       GLY   3  26.590   1.260  -7.260
   24   2HA   GLY   3          HA1       GLY   3  25.407  -0.012  -7.535
   25    HA   PRO   4           HA       PRO   4  23.732   4.350  -5.947
   26   1HB   PRO   4          HB2       PRO   4  22.673   4.159  -8.744
   27   2HB   PRO   4          HB1       PRO   4  23.094   5.593  -7.799
   28   1HG   PRO   4          HG2       PRO   4  24.759   4.702  -9.661
   29   2HG   PRO   4          HG1       PRO   4  25.383   5.281  -8.107
   30   1HD   PRO   4          HD2       PRO   4  25.109   2.490  -9.115
   31   2HD   PRO   4          HD1       PRO   4  26.341   3.191  -8.047
   32    HA   PRO   5           HA       PRO   5  20.279   1.827  -4.650
   33   1HB   PRO   5          HB2       PRO   5  19.141   4.538  -4.133
   34   2HB   PRO   5          HB1       PRO   5  19.203   3.123  -3.076
   35   1HG   PRO   5          HG2       PRO   5  20.874   5.159  -2.709
   36   2HG   PRO   5          HG1       PRO   5  21.425   3.485  -2.506
   37   1HD   PRO   5          HD2       PRO   5  21.928   5.391  -4.743
   38   2HD   PRO   5          HD1       PRO   5  22.987   4.137  -4.066
   39    HA   PRO   6           HA       PRO   6  17.648   2.161  -8.241
   40   1HB   PRO   6          HB2       PRO   6  15.915   0.179  -7.047
   41   2HB   PRO   6          HB1       PRO   6  17.050  -0.023  -8.381
   42   1HG   PRO   6          HG2       PRO   6  17.357  -1.176  -5.916
   43   2HG   PRO   6          HG1       PRO   6  18.695  -0.820  -7.020
   44   1HD   PRO   6          HD2       PRO   6  17.773   0.683  -4.613
   45   2HD   PRO   6          HD1       PRO   6  19.424   0.392  -5.202
   46    H    THR   7           HN       THR   7  15.142   1.992  -8.489
   47    HA   THR   7           HA       THR   7  13.977   4.014  -6.713
   48    HB   THR   7           HB       THR   7  12.983   3.030  -9.402
   49    HG1  THR   7           HG1      THR   7  13.959   4.800 -10.249
   50   1HG2  THR   7          HG21      THR   7  11.505   4.985  -9.320
   51   2HG2  THR   7          HG22      THR   7  12.105   5.373  -7.707
   52   3HG2  THR   7          HG23      THR   7  11.190   3.889  -7.975
   53    H    LEU   8           HN       LEU   8  12.397   3.447  -5.303
   54    HA   LEU   8           HA       LEU   8  11.232   0.771  -5.635
   55   1HB   LEU   8          HB2       LEU   8  11.618   2.297  -3.063
   56   2HB   LEU   8          HB1       LEU   8  11.051   0.645  -3.227
   57    HG   LEU   8           HG       LEU   8  13.365   0.259  -4.388
   58   1HD1  LEU   8          HD11      LEU   8  15.142   1.661  -3.591
   59   2HD1  LEU   8          HD12      LEU   8  14.003   2.641  -2.664
   60   3HD1  LEU   8          HD13      LEU   8  13.950   2.659  -4.427
   61   1HD2  LEU   8          HD21      LEU   8  14.368  -0.239  -2.189
   62   2HD2  LEU   8          HD22      LEU   8  12.708  -0.820  -2.327
   63   3HD2  LEU   8          HD23      LEU   8  13.055   0.649  -1.415
   64    H    SER   9           HN       SER   9   9.242   0.769  -3.904
   65    HA   SER   9           HA       SER   9   7.500   3.036  -4.618
   66   1HB   SER   9          HB2       SER   9   6.693   0.118  -4.638
   67   2HB   SER   9          HB1       SER   9   5.645   1.488  -5.007
   68    HG   SER   9           HG       SER   9   7.626   0.297  -6.540
   69    H    PHE  10           HN       PHE  10   7.490   0.089  -2.620
   70    HA   PHE  10           HA       PHE  10   5.691   0.913  -0.694
   71   1HB   PHE  10          HB2       PHE  10   7.330  -0.602   0.811
   72   2HB   PHE  10          HB1       PHE  10   6.169  -1.272  -0.327
   73    HD1  PHE  10           HD1      PHE  10   6.900  -2.679  -2.031
   74    HD2  PHE  10           HD2      PHE  10   9.703  -0.155  -0.062
   75    HE1  PHE  10           HE1      PHE  10   8.740  -3.792  -3.232
   76    HE2  PHE  10           HE2      PHE  10  11.545  -1.262  -1.256
   77    HZ   PHE  10           HZ       PHE  10  11.067  -3.081  -2.845
   78    H    ALA  11           HN       ALA  11   8.839   2.097  -1.274
   79    HA   ALA  11           HA       ALA  11   8.542   3.890   1.002
   80   1HB   ALA  11          HB1       ALA  11  10.962   2.141   0.600
   81   2HB   ALA  11          HB2       ALA  11   9.816   2.073   1.939
   82   3HB   ALA  11          HB3       ALA  11  10.861   3.479   1.744
   83    H    ALA  12           HN       ALA  12   9.709   5.755   0.890
   84    HA   ALA  12           HA       ALA  12  11.195   6.268  -1.598
   85   1HB   ALA  12          HB1       ALA  12  10.215   8.465  -1.736
   86   2HB   ALA  12          HB2       ALA  12   9.341   8.211  -0.224
   87   3HB   ALA  12          HB3       ALA  12   8.928   7.261  -1.652
   88    HA   PRO  13           HA       PRO  13  14.454   8.063   0.759
   89   1HB   PRO  13          HB2       PRO  13  14.829  10.574  -0.284
   90   2HB   PRO  13          HB1       PRO  13  15.401   9.089  -1.049
   91   1HG   PRO  13          HG2       PRO  13  12.979  10.724  -1.653
   92   2HG   PRO  13          HG1       PRO  13  14.077   9.888  -2.766
   93   1HD   PRO  13          HD2       PRO  13  11.645   8.906  -2.088
   94   2HD   PRO  13          HD1       PRO  13  13.021   7.861  -2.476
   95    H    MET  14           HN       MET  14  14.857   9.250   2.575
   96    HA   MET  14           HA       MET  14  12.914  11.293   3.369
   97   1HB   MET  14          HB2       MET  14  12.271   9.043   4.315
   98   2HB   MET  14          HB1       MET  14  13.780   9.067   5.217
   99   1HG   MET  14          HG2       MET  14  13.048  11.153   6.313
  100   2HG   MET  14          HG1       MET  14  11.507  11.021   5.468
  101   1HE   MET  14          HE1       MET  14  13.005   8.082   8.692
  102   2HE   MET  14          HE2       MET  14  13.825   9.584   8.263
  103   3HE   MET  14          HE3       MET  14  13.779   8.247   7.115
  104    H    ASP  15           HN       ASP  15  16.050  10.056   3.282
  105    HA   ASP  15           HA       ASP  15  17.153  12.488   4.363
  106   1HB   ASP  15          HB2       ASP  15  16.835  11.037   6.376
  107   2HB   ASP  15          HB1       ASP  15  17.897   9.844   5.635
  108    H    ILE  16           HN       ILE  16  19.312   9.906   4.598
  109    HA   ILE  16           HA       ILE  16  21.271   9.593   3.436
  110    HB   ILE  16           HB       ILE  16  20.064   7.747   2.625
  111   1HG1  ILE  16          HG12      ILE  16  21.162   9.225   0.233
  112   2HG1  ILE  16          HG11      ILE  16  22.080   8.201   1.333
  113   1HG2  ILE  16          HG21      ILE  16  18.410   7.801   0.874
  114   2HG2  ILE  16          HG22      ILE  16  18.672   9.529   0.642
  115   3HG2  ILE  16          HG23      ILE  16  17.964   8.938   2.146
  116   1HD1  ILE  16          HD11      ILE  16  21.525   7.118  -0.817
  117   2HD1  ILE  16          HD12      ILE  16  19.817   7.231  -0.393
  118   3HD1  ILE  16          HD13      ILE  16  20.906   6.251   0.588
  119    H    THR  17           HN       THR  17  22.022  11.758   3.285
  120    HA   THR  17           HA       THR  17  21.393  13.617   1.356
  121    HB   THR  17           HB       THR  17  23.921  14.201   1.403
  122    HG1  THR  17           HG1      THR  17  24.115  12.789   3.776
  123   1HG2  THR  17          HG21      THR  17  22.262  14.205   3.928
  124   2HG2  THR  17          HG22      THR  17  22.272  15.445   2.672
  125   3HG2  THR  17          HG23      THR  17  23.706  15.183   3.664
  126    H    LEU  18           HN       LEU  18  21.260  13.405  -0.776
  127    HA   LEU  18           HA       LEU  18  22.435  11.200  -2.125
  128   1HB   LEU  18          HB2       LEU  18  20.657  13.466  -2.837
  129   2HB   LEU  18          HB1       LEU  18  21.541  12.712  -4.144
  130    HG   LEU  18           HG       LEU  18  19.359  11.716  -4.019
  131   1HD1  LEU  18          HD11      LEU  18  21.367   9.811  -2.826
  132   2HD1  LEU  18          HD12      LEU  18  21.254  10.230  -4.535
  133   3HD1  LEU  18          HD13      LEU  18  19.924   9.382  -3.746
  134   1HD2  LEU  18          HD21      LEU  18  19.971  10.969  -1.168
  135   2HD2  LEU  18          HD22      LEU  18  18.478  10.666  -2.056
  136   3HD2  LEU  18          HD23      LEU  18  18.941  12.318  -1.646
  137    H    THR  19           HN       THR  19  24.384  12.887  -0.925
  138    HA   THR  19           HA       THR  19  25.632  14.380  -3.083
  139    HB   THR  19           HB       THR  19  27.189  15.183  -1.469
  140    HG1  THR  19           HG1      THR  19  27.380  14.246   0.582
  141   1HG2  THR  19          HG21      THR  19  25.034  16.233  -1.257
  142   2HG2  THR  19          HG22      THR  19  25.695  15.998   0.361
  143   3HG2  THR  19          HG23      THR  19  24.440  14.915  -0.246
  144    H    GLU  20           HN       GLU  20  25.460  11.232  -2.317
  145    HA   GLU  20           HA       GLU  20  28.105  10.669  -3.467
  146   1HB   GLU  20          HB2       GLU  20  26.856   9.358  -1.054
  147   2HB   GLU  20          HB1       GLU  20  28.164   8.617  -1.963
  148   1HG   GLU  20          HG2       GLU  20  28.351  11.345  -0.717
  149   2HG   GLU  20          HG1       GLU  20  28.845   9.863   0.098
  150    H    THR  21           HN       THR  21  28.013   9.341  -5.169
  151    HA   THR  21           HA       THR  21  25.463   8.225  -5.951
  152    HB   THR  21           HB       THR  21  28.074   7.810  -7.396
  153    HG1  THR  21           HG1      THR  21  27.341   9.765  -8.581
  154   1HG2  THR  21          HG21      THR  21  26.662   7.652  -9.357
  155   2HG2  THR  21          HG22      THR  21  25.235   8.035  -8.394
  156   3HG2  THR  21          HG23      THR  21  26.097   6.521  -8.129
  157    H    ARG  22           HN       ARG  22  28.082   7.192  -4.123
  158    HA   ARG  22           HA       ARG  22  27.346   4.370  -4.531
  159   1HB   ARG  22          HB2       ARG  22  30.077   5.477  -3.898
  160   2HB   ARG  22          HB1       ARG  22  29.665   3.771  -3.984
  161   1HG   ARG  22          HG2       ARG  22  29.113   4.014  -6.348
  162   2HG   ARG  22          HG1       ARG  22  29.508   5.732  -6.265
  163   1HD   ARG  22          HD2       ARG  22  31.417   3.457  -5.740
  164   2HD   ARG  22          HD1       ARG  22  31.345   4.419  -7.216
  165    HE   ARG  22           HE       ARG  22  31.694   6.174  -5.083
  166   1HH1  ARG  22          HH11      ARG  22  33.429   3.602  -6.668
  167   2HH1  ARG  22          HH12      ARG  22  34.991   4.244  -6.283
  168   1HH2  ARG  22          HH21      ARG  22  33.747   7.029  -4.574
  169   2HH2  ARG  22          HH22      ARG  22  35.172   6.192  -5.094
  170    H    PHE  23           HN       PHE  23  27.697   3.000  -2.597
  171    HA   PHE  23           HA       PHE  23  27.858   4.365  -0.024
  172   1HB   PHE  23          HB2       PHE  23  25.446   2.701  -0.791
  173   2HB   PHE  23          HB1       PHE  23  25.743   3.450   0.776
  174    HD1  PHE  23           HD1      PHE  23  25.080   4.163  -2.783
  175    HD2  PHE  23           HD2      PHE  23  25.147   5.687   1.187
  176    HE1  PHE  23           HE1      PHE  23  23.967   6.204  -3.558
  177    HE2  PHE  23           HE2      PHE  23  24.018   7.735   0.421
  178    HZ   PHE  23           HZ       PHE  23  23.424   7.997  -1.956
  179    H    LYS  24           HN       LYS  24  29.642   3.205   0.541
  180    HA   LYS  24           HA       LYS  24  30.356   0.601   0.090
  181   1HB   LYS  24          HB2       LYS  24  31.401   0.678   2.407
  182   2HB   LYS  24          HB1       LYS  24  31.916   1.882   1.236
  183   1HG   LYS  24          HG2       LYS  24  30.394   3.513   2.283
  184   2HG   LYS  24          HG1       LYS  24  29.959   2.296   3.485
  185   1HD   LYS  24          HD2       LYS  24  32.340   2.161   4.151
  186   2HD   LYS  24          HD1       LYS  24  32.699   3.467   3.019
  187   1HE   LYS  24          HE2       LYS  24  32.481   4.380   5.236
  188   2HE   LYS  24          HE1       LYS  24  31.121   4.917   4.250
  189   1HZ   LYS  24          HZ1       LYS  24  29.745   3.224   5.269
  190   2HZ   LYS  24          HZ2       LYS  24  30.417   4.222   6.458
  191   3HZ   LYS  24          HZ3       LYS  24  31.050   2.675   6.197
  192    H    THR  25           HN       THR  25  30.419  -1.206   1.691
  193    HA   THR  25           HA       THR  25  27.806  -2.089   2.238
  194    HB   THR  25           HB       THR  25  28.990  -3.868   3.596
  195    HG1  THR  25           HG1      THR  25  30.943  -3.228   4.160
  196   1HG2  THR  25          HG21      THR  25  29.760  -5.059   1.664
  197   2HG2  THR  25          HG22      THR  25  30.038  -3.553   0.789
  198   3HG2  THR  25          HG23      THR  25  28.393  -4.062   1.164
  199    H    GLY  26           HN       GLY  26  27.175  -2.831   4.528
  200   1HA   GLY  26          HA2       GLY  26  26.754  -2.332   6.737
  201   2HA   GLY  26          HA1       GLY  26  28.241  -1.395   6.748
  202    H    THR  27           HN       THR  27  27.051   0.133   4.324
  203    HA   THR  27           HA       THR  27  26.139   2.382   5.741
  204    HB   THR  27           HB       THR  27  27.069   2.113   3.283
  205    HG1  THR  27           HG1      THR  27  26.303   4.210   2.926
  206   1HG2  THR  27          HG21      THR  27  24.918   0.824   2.674
  207   2HG2  THR  27          HG22      THR  27  25.489   2.071   1.563
  208   3HG2  THR  27          HG23      THR  27  24.145   2.412   2.663
  209    H    THR  28           HN       THR  28  23.981   3.320   5.767
  210    HA   THR  28           HA       THR  28  21.789   1.564   5.016
  211    HB   THR  28           HB       THR  28  22.140   2.467   7.877
  212    HG1  THR  28           HG1      THR  28  21.972  -0.023   7.992
  213   1HG2  THR  28          HG21      THR  28  19.779   2.436   6.963
  214   2HG2  THR  28          HG22      THR  28  20.072   1.404   8.361
  215   3HG2  THR  28          HG23      THR  28  19.978   0.697   6.749
  216    H    LEU  29           HN       LEU  29  20.178   2.700   4.182
  217    HA   LEU  29           HA       LEU  29  20.132   5.583   4.718
  218   1HB   LEU  29          HB2       LEU  29  18.588   5.559   2.627
  219   2HB   LEU  29          HB1       LEU  29  20.322   5.471   2.450
  220    HG   LEU  29           HG       LEU  29  18.641   2.982   2.468
  221   1HD1  LEU  29          HD11      LEU  29  18.504   3.083   0.063
  222   2HD1  LEU  29          HD12      LEU  29  19.387   4.610   0.040
  223   3HD1  LEU  29          HD13      LEU  29  17.772   4.536   0.744
  224   1HD2  LEU  29          HD21      LEU  29  21.103   2.828   2.742
  225   2HD2  LEU  29          HD22      LEU  29  21.288   3.609   1.172
  226   3HD2  LEU  29          HD23      LEU  29  20.502   2.035   1.288
  227    H    LYS  30           HN       LYS  30  18.051   6.650   4.796
  228    HA   LYS  30           HA       LYS  30  16.095   5.024   6.244
  229   1HB   LYS  30          HB2       LYS  30  16.898   7.890   6.307
  230   2HB   LYS  30          HB1       LYS  30  15.237   7.492   6.708
  231   1HG   LYS  30          HG2       LYS  30  16.109   5.899   8.419
  232   2HG   LYS  30          HG1       LYS  30  17.728   6.520   8.083
  233   1HD   LYS  30          HD2       LYS  30  16.978   8.775   8.701
  234   2HD   LYS  30          HD1       LYS  30  15.375   8.133   9.065
  235   1HE   LYS  30          HE2       LYS  30  17.898   7.193  10.412
  236   2HE   LYS  30          HE1       LYS  30  16.865   8.469  11.055
  237   1HZ   LYS  30          HZ1       LYS  30  15.044   6.903  11.181
  238   2HZ   LYS  30          HZ2       LYS  30  16.374   6.309  12.040
  239   3HZ   LYS  30          HZ3       LYS  30  16.003   5.678  10.515
  240    H    TYR  31           HN       TYR  31  14.148   4.624   5.431
  241    HA   TYR  31           HA       TYR  31  13.158   6.270   3.208
  242   1HB   TYR  31          HB2       TYR  31  13.774   3.388   3.216
  243   2HB   TYR  31          HB1       TYR  31  12.187   3.793   2.568
  244    HD1  TYR  31           HD1      TYR  31  12.179   3.828   0.273
  245    HD2  TYR  31           HD2      TYR  31  15.599   5.320   2.315
  246    HE1  TYR  31           HE1      TYR  31  13.205   4.407  -1.884
  247    HE2  TYR  31           HE2      TYR  31  16.635   5.904   0.164
  248    HH   TYR  31           HH       TYR  31  14.901   5.914  -2.770
  249    H    THR  32           HN       THR  32  10.895   6.434   3.054
  250    HA   THR  32           HA       THR  32   9.480   5.700   5.523
  251    HB   THR  32           HB       THR  32   8.743   7.804   5.485
  252    HG1  THR  32           HG1      THR  32   6.883   7.037   4.501
  253   1HG2  THR  32          HG21      THR  32   9.781   8.055   2.658
  254   2HG2  THR  32          HG22      THR  32  10.697   8.402   4.125
  255   3HG2  THR  32          HG23      THR  32   9.295   9.387   3.707
  256    H    CYS  33           HN       CYS  33   8.007   4.127   5.476
  257    HA   CYS  33           HA       CYS  33   7.304   2.884   2.981
  258   1HB   CYS  33          HB2       CYS  33   6.705   2.285   5.858
  259   2HB   CYS  33          HB1       CYS  33   5.819   1.464   4.580
  260    H    LEU  34           HN       LEU  34   5.726   3.303   1.781
  261    HA   LEU  34           HA       LEU  34   3.972   5.352   1.836
  262   1HB   LEU  34          HB2       LEU  34   3.474   2.615   0.681
  263   2HB   LEU  34          HB1       LEU  34   2.522   4.035   0.302
  264    HG   LEU  34           HG       LEU  34   5.387   3.459  -0.428
  265   1HD1  LEU  34          HD11      LEU  34   4.568   3.904  -2.688
  266   2HD1  LEU  34          HD12      LEU  34   2.955   4.209  -2.045
  267   3HD1  LEU  34          HD13      LEU  34   3.665   2.599  -1.919
  268   1HD2  LEU  34          HD21      LEU  34   3.989   6.106  -0.765
  269   2HD2  LEU  34          HD22      LEU  34   5.633   5.694  -1.260
  270   3HD2  LEU  34          HD23      LEU  34   5.219   5.769   0.453
  271    HA   PRO  35           HA       PRO  35   0.770   4.867   4.775
  272   1HB   PRO  35          HB2       PRO  35  -1.234   5.435   2.685
  273   2HB   PRO  35          HB1       PRO  35  -0.878   6.315   4.173
  274   1HG   PRO  35          HG2       PRO  35  -0.166   7.289   1.790
  275   2HG   PRO  35          HG1       PRO  35   0.871   7.492   3.215
  276   1HD   PRO  35          HD2       PRO  35   1.127   5.559   0.940
  277   2HD   PRO  35          HD1       PRO  35   2.389   6.487   1.779
  278    H    GLY  36           HN       GLY  36  -0.829   3.775   1.800
  279   1HA   GLY  36          HA2       GLY  36  -2.251   1.728   3.221
  280   2HA   GLY  36          HA1       GLY  36  -2.341   2.063   1.501
  281    H    TYR  37           HN       TYR  37   0.859   1.620   2.650
  282    HA   TYR  37           HA       TYR  37   1.523  -0.471   1.112
  283   1HB   TYR  37          HB2       TYR  37   3.388  -0.939   2.520
  284   2HB   TYR  37          HB1       TYR  37   3.079   0.790   2.646
  285    HD1  TYR  37           HD1      TYR  37   3.904  -2.011   4.436
  286    HD2  TYR  37           HD2      TYR  37   1.328   1.368   4.606
  287    HE1  TYR  37           HE1      TYR  37   3.790  -2.234   6.895
  288    HE2  TYR  37           HE2      TYR  37   1.207   1.165   7.065
  289    HH   TYR  37           HH       TYR  37   3.306  -0.837   8.849
  290    H    VAL  38           HN       VAL  38   1.418  -2.623   1.068
  291    HA   VAL  38           HA       VAL  38  -0.740  -3.745   2.721
  292    HB   VAL  38           HB       VAL  38   0.246  -4.565  -0.010
  293   1HG1  VAL  38          HG11      VAL  38  -0.482  -6.504   1.279
  294   2HG1  VAL  38          HG12      VAL  38  -1.599  -6.143  -0.038
  295   3HG1  VAL  38          HG13      VAL  38  -2.013  -5.700   1.618
  296   1HG2  VAL  38          HG21      VAL  38  -1.986  -3.827  -0.734
  297   2HG2  VAL  38          HG22      VAL  38  -1.042  -2.512  -0.033
  298   3HG2  VAL  38          HG23      VAL  38  -2.322  -3.280   0.908
  299    H    ARG  39           HN       ARG  39  -0.596  -6.100   3.101
  300    HA   ARG  39           HA       ARG  39   1.315  -6.848   4.802
  301   1HB   ARG  39          HB2       ARG  39  -0.141  -8.654   2.889
  302   2HB   ARG  39          HB1       ARG  39   0.744  -9.214   4.300
  303   1HG   ARG  39          HG2       ARG  39  -1.584  -7.310   4.393
  304   2HG   ARG  39          HG1       ARG  39  -1.695  -9.052   4.654
  305   1HD   ARG  39          HD2       ARG  39  -0.119  -8.832   6.544
  306   2HD   ARG  39          HD1       ARG  39  -0.118  -7.084   6.308
  307    HE   ARG  39           HE       ARG  39  -2.618  -8.518   6.896
  308   1HH1  ARG  39          HH11      ARG  39  -0.243  -6.096   7.692
  309   2HH1  ARG  39          HH12      ARG  39  -1.210  -5.372   8.934
  310   1HH2  ARG  39          HH21      ARG  39  -3.899  -7.570   8.526
  311   2HH2  ARG  39          HH22      ARG  39  -3.288  -6.210   9.408
  312    H    SER  40           HN       SER  40   3.382  -7.099   4.793
  313    HA   SER  40           HA       SER  40   4.965  -8.824   3.510
  314   1HB   SER  40          HB2       SER  40   4.428  -6.506   1.713
  315   2HB   SER  40          HB1       SER  40   6.076  -7.133   1.773
  316    HG   SER  40           HG       SER  40   4.088  -9.037   1.543
  317    H    HIS  41           HN       HIS  41   4.476  -5.884   5.070
  318    HA   HIS  41           HA       HIS  41   6.967  -4.727   5.287
  319   1HB   HIS  41          HB2       HIS  41   6.188  -3.935   7.548
  320   2HB   HIS  41          HB1       HIS  41   5.088  -3.605   6.216
  321    HD1  HIS  41           HD1      HIS  41   2.821  -4.821   6.218
  322    HD2  HIS  41           HD2      HIS  41   5.254  -5.783   9.445
  323    HE1  HIS  41           HE1      HIS  41   1.338  -6.050   7.836
  324    HE2  HIS  41           HE2      HIS  41   2.806  -6.523   9.827
  325    H    SER  42           HN       SER  42   8.710  -4.913   6.644
  326    HA   SER  42           HA       SER  42   8.921  -6.814   8.734
  327   1HB   SER  42          HB2       SER  42   8.958  -8.415   6.874
  328   2HB   SER  42          HB1       SER  42  10.287  -7.528   6.127
  329    HG   SER  42           HG       SER  42  11.647  -8.239   7.647
  330    H    THR  43           HN       THR  43  10.060  -4.327   6.780
  331    HA   THR  43           HA       THR  43  12.023  -3.513   8.692
  332    HB   THR  43           HB       THR  43  13.285  -3.781   6.024
  333    HG1  THR  43           HG1      THR  43  13.713  -6.014   7.554
  334   1HG2  THR  43          HG21      THR  43  15.274  -4.200   7.403
  335   2HG2  THR  43          HG22      THR  43  14.268  -4.189   8.851
  336   3HG2  THR  43          HG23      THR  43  14.448  -2.720   7.891
  337    H    GLN  44           HN       GLN  44  13.517  -1.781   7.060
  338    HA   GLN  44           HA       GLN  44  12.002  -0.270   5.244
  339   1HB   GLN  44          HB2       GLN  44  10.720   0.115   7.419
  340   2HB   GLN  44          HB1       GLN  44  12.120   1.027   7.964
  341   1HG   GLN  44          HG2       GLN  44  11.859   2.543   6.056
  342   2HG   GLN  44          HG1       GLN  44  10.431   1.641   5.551
  343   1HE2  GLN  44          HE21      GLN  44   8.539   1.800   6.757
  344   2HE2  GLN  44          HE22      GLN  44   8.285   3.069   7.901
  345    H    THR  45           HN       THR  45  14.694  -1.198   5.538
  346    HA   THR  45           HA       THR  45  16.084   1.330   5.160
  347    HB   THR  45           HB       THR  45  17.995   0.648   6.590
  348    HG1  THR  45           HG1      THR  45  17.304  -1.640   6.626
  349   1HG2  THR  45          HG21      THR  45  16.927   1.179   8.749
  350   2HG2  THR  45          HG22      THR  45  15.344   0.916   8.013
  351   3HG2  THR  45          HG23      THR  45  16.371   2.240   7.453
  352    H    LEU  46           HN       LEU  46  18.008   1.163   3.970
  353    HA   LEU  46           HA       LEU  46  18.319  -1.405   2.552
  354   1HB   LEU  46          HB2       LEU  46  18.231   1.393   1.581
  355   2HB   LEU  46          HB1       LEU  46  19.432   0.359   0.835
  356    HG   LEU  46           HG       LEU  46  17.747  -1.152   0.037
  357   1HD1  LEU  46          HD11      LEU  46  15.753   0.520   1.560
  358   2HD1  LEU  46          HD12      LEU  46  16.263  -1.120   1.965
  359   3HD1  LEU  46          HD13      LEU  46  15.367  -0.817   0.476
  360   1HD2  LEU  46          HD21      LEU  46  16.796   1.667  -0.436
  361   2HD2  LEU  46          HD22      LEU  46  16.519   0.267  -1.474
  362   3HD2  LEU  46          HD23      LEU  46  18.152   0.903  -1.268
  363    H    THR  47           HN       THR  47  20.224  -2.384   2.829
  364    HA   THR  47           HA       THR  47  22.529  -0.756   3.709
  365    HB   THR  47           HB       THR  47  22.095  -3.650   4.461
  366    HG1  THR  47           HG1      THR  47  21.355  -1.268   5.839
  367   1HG2  THR  47          HG21      THR  47  24.398  -2.882   4.565
  368   2HG2  THR  47          HG22      THR  47  23.766  -3.142   6.191
  369   3HG2  THR  47          HG23      THR  47  23.916  -1.504   5.556
  370    H    CYS  48           HN       CYS  48  24.577  -1.315   2.869
  371    HA   CYS  48           HA       CYS  48  24.410  -2.828   0.407
  372   1HB   CYS  48          HB2       CYS  48  25.646  -0.683   0.400
  373   2HB   CYS  48          HB1       CYS  48  26.762  -1.327   1.599
  374    H    ASN  49           HN       ASN  49  24.715  -4.897   0.419
  375    HA   ASN  49           HA       ASN  49  26.278  -6.141   2.549
  376   1HB   ASN  49          HB2       ASN  49  25.281  -8.273   1.537
  377   2HB   ASN  49          HB1       ASN  49  24.149  -7.158   2.299
  378   1HD2  ASN  49          HD21      ASN  49  23.076  -5.615   0.847
  379   2HD2  ASN  49          HD22      ASN  49  22.634  -6.156  -0.731
  380    H    SER  50           HN       SER  50  27.363  -8.333   1.556
  381    HA   SER  50           HA       SER  50  29.326  -7.326  -0.347
  382   1HB   SER  50          HB2       SER  50  30.112  -8.542   1.654
  383   2HB   SER  50          HB1       SER  50  29.225  -9.975   1.129
  384    HG   SER  50           HG       SER  50  31.186  -8.736  -0.488
  385    H    ASP  51           HN       ASP  51  27.374  -7.279  -1.818
  386    HA   ASP  51           HA       ASP  51  27.473  -9.555  -3.664
  387   1HB   ASP  51          HB2       ASP  51  25.536  -9.849  -1.991
  388   2HB   ASP  51          HB1       ASP  51  24.821  -8.450  -2.791
  389    H    GLY  52           HN       GLY  52  27.744  -6.381  -3.100
  390   1HA   GLY  52          HA2       GLY  52  27.644  -4.495  -4.401
  391   2HA   GLY  52          HA1       GLY  52  27.696  -5.593  -5.773
  392    H    GLU  53           HN       GLU  53  25.173  -6.139  -3.665
  393    HA   GLU  53           HA       GLU  53  23.300  -4.443  -5.184
  394   1HB   GLU  53          HB2       GLU  53  21.809  -6.171  -5.525
  395   2HB   GLU  53          HB1       GLU  53  23.336  -7.031  -5.648
  396   1HG   GLU  53          HG2       GLU  53  23.117  -7.877  -3.422
  397   2HG   GLU  53          HG1       GLU  53  21.705  -6.866  -3.127
  398    H    TRP  54           HN       TRP  54  21.186  -4.139  -4.015
  399    HA   TRP  54           HA       TRP  54  21.747  -3.575  -1.225
  400   1HB   TRP  54          HB2       TRP  54  19.489  -2.793  -3.074
  401   2HB   TRP  54          HB1       TRP  54  19.538  -2.366  -1.371
  402    HD1  TRP  54           HD1      TRP  54  20.562  -1.108  -4.684
  403    HE1  TRP  54           HE1      TRP  54  22.154   0.902  -4.444
  404    HE3  TRP  54           HE3      TRP  54  21.652  -1.534   0.283
  405    HZ2  TRP  54           HZ2      TRP  54  23.675   2.141  -2.411
  406    HZ3  TRP  54           HZ3      TRP  54  23.184   0.099   1.304
  407    HH2  TRP  54           HH2      TRP  54  24.173   1.896  -0.018
  408    H    VAL  55           HN       VAL  55  21.255  -4.984   0.247
  409    HA   VAL  55           HA       VAL  55  19.197  -7.022  -0.256
  410    HB   VAL  55           HB       VAL  55  21.723  -6.962   1.329
  411   1HG1  VAL  55          HG11      VAL  55  19.362  -8.636   2.157
  412   2HG1  VAL  55          HG12      VAL  55  20.018  -7.266   3.052
  413   3HG1  VAL  55          HG13      VAL  55  20.991  -8.719   2.827
  414   1HG2  VAL  55          HG21      VAL  55  21.452  -8.171  -0.835
  415   2HG2  VAL  55          HG22      VAL  55  20.298  -9.237  -0.032
  416   3HG2  VAL  55          HG23      VAL  55  21.981  -9.188   0.506
  417    H    TYR  56           HN       TYR  56  17.467  -7.183   1.179
  418    HA   TYR  56           HA       TYR  56  17.391  -6.107   3.704
  419   1HB   TYR  56          HB2       TYR  56  15.973  -4.033   3.320
  420   2HB   TYR  56          HB1       TYR  56  17.660  -3.898   2.832
  421    HD1  TYR  56           HD1      TYR  56  18.262  -3.595   0.521
  422    HD2  TYR  56           HD2      TYR  56  14.201  -4.234   1.612
  423    HE1  TYR  56           HE1      TYR  56  17.555  -2.925  -1.737
  424    HE2  TYR  56           HE2      TYR  56  13.484  -3.565  -0.641
  425    HH   TYR  56           HH       TYR  56  14.312  -2.252  -2.524
  426    H    ASN  57           HN       ASN  57  16.186  -7.938   1.503
  427    HA   ASN  57           HA       ASN  57  14.310  -9.186   1.186
  428   1HB   ASN  57          HB2       ASN  57  13.720  -8.204   3.987
  429   2HB   ASN  57          HB1       ASN  57  12.795  -9.455   3.162
  430   1HD2  ASN  57          HD21      ASN  57  15.129 -10.581   1.851
  431   2HD2  ASN  57          HD22      ASN  57  15.998 -11.443   3.068
  432    H    THR  58           HN       THR  58  11.721  -8.981   1.470
  433    HA   THR  58           HA       THR  58  11.094  -6.346   0.337
  434    HB   THR  58           HB       THR  58   9.439  -8.876   0.203
  435    HG1  THR  58           HG1      THR  58  10.408  -7.982  -2.159
  436   1HG2  THR  58          HG21      THR  58   8.044  -7.710  -1.335
  437   2HG2  THR  58          HG22      THR  58   9.159  -6.345  -1.411
  438   3HG2  THR  58          HG23      THR  58   8.242  -6.652   0.065
  439    H    PHE  59           HN       PHE  59  10.897  -5.234   2.292
  440    HA   PHE  59           HA       PHE  59   9.152  -6.140   4.354
  441   1HB   PHE  59          HB2       PHE  59   9.440  -3.705   5.154
  442   2HB   PHE  59          HB1       PHE  59  10.861  -4.747   5.114
  443    HD1  PHE  59           HD1      PHE  59   9.076  -2.215   3.050
  444    HD2  PHE  59           HD2      PHE  59  12.778  -4.025   4.095
  445    HE1  PHE  59           HE1      PHE  59  10.268  -0.554   1.684
  446    HE2  PHE  59           HE2      PHE  59  13.978  -2.370   2.730
  447    HZ   PHE  59           HZ       PHE  59  12.723  -0.633   1.521
  448    H    CYS  60           HN       CYS  60   8.172  -3.106   4.361
  449    HA   CYS  60           HA       CYS  60   5.528  -3.534   3.796
  450   1HB   CYS  60          HB2       CYS  60   5.283  -1.107   3.575
  451   2HB   CYS  60          HB1       CYS  60   6.376  -1.500   4.898
  452    H    ILE  61           HN       ILE  61   4.154  -2.892   1.978
  453    HA   ILE  61           HA       ILE  61   5.509  -2.556  -0.569
  454    HB   ILE  61           HB       ILE  61   4.237  -4.337  -1.686
  455   1HG1  ILE  61          HG12      ILE  61   3.517  -5.281   1.092
  456   2HG1  ILE  61          HG11      ILE  61   2.403  -4.442   0.015
  457   1HG2  ILE  61          HG21      ILE  61   5.508  -6.258  -0.702
  458   2HG2  ILE  61          HG22      ILE  61   6.048  -5.159   0.568
  459   3HG2  ILE  61          HG23      ILE  61   6.479  -4.844  -1.114
  460   1HD1  ILE  61          HD11      ILE  61   2.637  -6.252  -1.614
  461   2HD1  ILE  61          HD12      ILE  61   2.033  -6.827  -0.061
  462   3HD1  ILE  61          HD13      ILE  61   3.718  -7.096  -0.506
  463    H    TYR  62           HN       TYR  62   2.810  -3.489  -1.778
  464    HA   TYR  62           HA       TYR  62   0.710  -1.786  -1.072
  465   1HB   TYR  62          HB2       TYR  62   2.830  -0.263  -1.968
  466   2HB   TYR  62          HB1       TYR  62   1.817  -0.433  -3.404
  467    HD1  TYR  62           HD1      TYR  62   2.343   1.273  -0.343
  468    HD2  TYR  62           HD2      TYR  62  -0.689   0.187  -3.120
  469    HE1  TYR  62           HE1      TYR  62   0.893   3.031   0.565
  470    HE2  TYR  62           HE2      TYR  62  -2.150   1.951  -2.218
  471    HH   TYR  62           HH       TYR  62  -1.183   3.838   0.615
  472    H    LYS  63           HN       LYS  63  -0.945  -2.606  -1.924
  473    HA   LYS  63           HA       LYS  63  -1.254  -3.249  -4.665
  474   1HB   LYS  63          HB2       LYS  63  -1.961  -5.706  -3.974
  475   2HB   LYS  63          HB1       LYS  63  -0.310  -5.339  -4.450
  476   1HG   LYS  63          HG2       LYS  63   0.512  -5.624  -2.350
  477   2HG   LYS  63          HG1       LYS  63  -0.992  -5.131  -1.573
  478   1HD   LYS  63          HD2       LYS  63  -1.922  -7.220  -1.728
  479   2HD   LYS  63          HD1       LYS  63  -0.979  -7.646  -3.152
  480   1HE   LYS  63          HE2       LYS  63   1.018  -7.841  -1.793
  481   2HE   LYS  63          HE1       LYS  63   0.094  -7.420  -0.353
  482   1HZ   LYS  63          HZ1       LYS  63  -0.336  -9.815  -2.060
  483   2HZ   LYS  63          HZ2       LYS  63  -1.246  -9.413  -0.693
  484   3HZ   LYS  63          HZ3       LYS  63   0.391  -9.806  -0.532
  485    H    ARG  64           HN       ARG  64  -3.280  -2.476  -4.969
  486    HA   ARG  64           HA       ARG  64  -5.116  -2.510  -2.685
  487   1HB   ARG  64          HB2       ARG  64  -6.379  -0.825  -4.146
  488   2HB   ARG  64          HB1       ARG  64  -4.862  -0.301  -3.430
  489   1HG   ARG  64          HG2       ARG  64  -4.820  -1.462  -6.167
  490   2HG   ARG  64          HG1       ARG  64  -5.419   0.183  -5.945
  491   1HD   ARG  64          HD2       ARG  64  -2.780  -0.735  -4.833
  492   2HD   ARG  64          HD1       ARG  64  -2.942  -0.082  -6.464
  493    HE   ARG  64           HE       ARG  64  -4.052   1.603  -4.412
  494   1HH1  ARG  64          HH11      ARG  64  -1.180   0.757  -6.192
  495   2HH1  ARG  64          HH12      ARG  64  -0.413   2.289  -5.936
  496   1HH2  ARG  64          HH21      ARG  64  -3.053   3.625  -4.071
  497   2HH2  ARG  64          HH22      ARG  64  -1.477   3.918  -4.729
  498    H    CYS  65           HN       CYS  65  -7.463  -2.040  -4.264
  499    HA   CYS  65           HA       CYS  65  -7.770  -4.614  -5.655
  500   1HB   CYS  65          HB2       CYS  65  -9.953  -3.447  -3.950
  501   2HB   CYS  65          HB1       CYS  65  -9.781  -5.096  -4.531
  502    H    ARG  66           HN       ARG  66  -9.621  -4.665  -7.121
  503    HA   ARG  66           HA       ARG  66  -9.769  -2.381  -8.744
  504   1HB   ARG  66          HB2       ARG  66 -10.239  -4.613  -9.622
  505   2HB   ARG  66          HB1       ARG  66 -11.651  -4.750  -8.582
  506   1HG   ARG  66          HG2       ARG  66 -12.440  -4.241 -10.748
  507   2HG   ARG  66          HG1       ARG  66 -12.600  -2.762  -9.798
  508   1HD   ARG  66          HD2       ARG  66 -11.709  -2.225 -11.974
  509   2HD   ARG  66          HD1       ARG  66 -10.470  -1.961 -10.747
  510    HE   ARG  66           HE       ARG  66 -10.201  -4.558 -11.779
  511   1HH1  ARG  66          HH11      ARG  66  -9.769  -1.234 -12.733
  512   2HH1  ARG  66          HH12      ARG  66  -8.511  -1.590 -13.869
  513   1HH2  ARG  66          HH21      ARG  66  -8.543  -5.034 -13.272
  514   2HH2  ARG  66          HH22      ARG  66  -7.815  -3.749 -14.175
  515    H    HIS  67           HN       HIS  67 -11.378  -0.829  -8.995
  516    HA   HIS  67           HA       HIS  67 -12.663   0.021  -6.626
  517   1HB   HIS  67          HB2       HIS  67 -13.352   0.901  -9.433
  518   2HB   HIS  67          HB1       HIS  67 -13.526   1.812  -7.942
  519    HD1  HIS  67           HD1      HIS  67 -10.994   0.789 -10.481
  520    HD2  HIS  67           HD2      HIS  67 -11.210   3.077  -7.018
  521    HE1  HIS  67           HE1      HIS  67  -8.843   2.089 -10.399
  522    HE2  HIS  67           HE2      HIS  67  -9.049   3.553  -8.360
  523    HA   PRO  68           HA       PRO  68 -16.213  -2.711  -6.928
  524   1HB   PRO  68          HB2       PRO  68 -17.801  -1.329  -5.150
  525   2HB   PRO  68          HB1       PRO  68 -16.604  -2.536  -4.680
  526   1HG   PRO  68          HG2       PRO  68 -16.421   0.441  -4.629
  527   2HG   PRO  68          HG1       PRO  68 -15.746  -0.751  -3.504
  528   1HD   PRO  68          HD2       PRO  68 -14.233   0.511  -5.367
  529   2HD   PRO  68          HD1       PRO  68 -13.891  -1.140  -4.813
  530    H    GLY  69           HN       GLY  69 -16.078   0.622  -7.677
  531   1HA   GLY  69          HA2       GLY  69 -17.170   1.610  -9.503
  532   2HA   GLY  69          HA1       GLY  69 -18.287   0.254  -9.544
  533    H    GLU  70           HN       GLU  70 -18.920   2.996  -9.682
  534    HA   GLU  70           HA       GLU  70 -19.781   4.417  -7.613
  535   1HB   GLU  70          HB2       GLU  70 -20.299   4.965  -9.953
  536   2HB   GLU  70          HB1       GLU  70 -21.530   3.710  -9.974
  537   1HG   GLU  70          HG2       GLU  70 -22.579   5.846  -9.700
  538   2HG   GLU  70          HG1       GLU  70 -22.752   4.922  -8.208
  539    H    LEU  71           HN       LEU  71 -21.206   4.460  -6.064
  540    HA   LEU  71           HA       LEU  71 -22.713   2.005  -5.500
  541   1HB   LEU  71          HB2       LEU  71 -21.383   2.558  -3.637
  542   2HB   LEU  71          HB1       LEU  71 -21.692   4.274  -3.811
  543    HG   LEU  71           HG       LEU  71 -24.048   3.829  -3.103
  544   1HD1  LEU  71          HD11      LEU  71 -24.205   1.479  -3.611
  545   2HD1  LEU  71          HD12      LEU  71 -24.501   1.744  -1.892
  546   3HD1  LEU  71          HD13      LEU  71 -22.943   1.118  -2.432
  547   1HD2  LEU  71          HD21      LEU  71 -21.886   3.107  -1.145
  548   2HD2  LEU  71          HD22      LEU  71 -23.515   3.642  -0.730
  549   3HD2  LEU  71          HD23      LEU  71 -22.413   4.739  -1.561
  550    H    ARG  72           HN       ARG  72 -24.656   2.172  -6.580
  551    HA   ARG  72           HA       ARG  72 -25.935   4.637  -7.068
  552   1HB   ARG  72          HB2       ARG  72 -26.366   2.531  -8.380
  553   2HB   ARG  72          HB1       ARG  72 -27.240   1.899  -6.992
  554   1HG   ARG  72          HG2       ARG  72 -28.895   3.640  -7.185
  555   2HG   ARG  72          HG1       ARG  72 -27.988   4.399  -8.495
  556   1HD   ARG  72          HD2       ARG  72 -28.246   2.223  -9.757
  557   2HD   ARG  72          HD1       ARG  72 -29.401   1.743  -8.513
  558    HE   ARG  72           HE       ARG  72 -30.355   4.130  -9.321
  559   1HH1  ARG  72          HH11      ARG  72 -29.393   1.256 -11.036
  560   2HH1  ARG  72          HH12      ARG  72 -30.499   1.511 -12.345
  561   1HH2  ARG  72          HH21      ARG  72 -31.812   4.477 -11.041
  562   2HH2  ARG  72          HH22      ARG  72 -31.873   3.342 -12.349
  563    H    ASN  73           HN       ASN  73 -27.066   5.882  -6.032
  564    HA   ASN  73           HA       ASN  73 -28.367   6.836  -4.484
  565   1HB   ASN  73          HB2       ASN  73 -28.713   4.031  -3.384
  566   2HB   ASN  73          HB1       ASN  73 -29.553   5.446  -2.759
  567   1HD2  ASN  73          HD21      ASN  73 -29.911   6.668  -5.348
  568   2HD2  ASN  73          HD22      ASN  73 -31.138   5.759  -6.156
  569    H    GLY  74           HN       GLY  74 -25.376   5.999  -4.250
  570   1HA   GLY  74          HA2       GLY  74 -25.148   7.204  -1.611
  571   2HA   GLY  74          HA1       GLY  74 -24.481   5.594  -1.799
  572    H    GLN  75           HN       GLN  75 -22.515   6.566  -1.125
  573    HA   GLN  75           HA       GLN  75 -20.965   7.537  -3.375
  574   1HB   GLN  75          HB2       GLN  75 -19.968   9.399  -2.035
  575   2HB   GLN  75          HB1       GLN  75 -21.653   9.643  -2.469
  576   1HG   GLN  75          HG2       GLN  75 -22.376   9.100  -0.262
  577   2HG   GLN  75          HG1       GLN  75 -20.751   8.595   0.200
  578   1HE2  GLN  75          HE21      GLN  75 -21.441  11.413  -1.747
  579   2HE2  GLN  75          HE22      GLN  75 -20.959  12.583  -0.571
  580    H    VAL  76           HN       VAL  76 -20.059   5.410  -3.122
  581    HA   VAL  76           HA       VAL  76 -18.920   4.282  -0.940
  582    HB   VAL  76           HB       VAL  76 -18.553   2.822  -2.584
  583   1HG1  VAL  76          HG11      VAL  76 -18.321   5.202  -4.380
  584   2HG1  VAL  76          HG12      VAL  76 -19.576   3.963  -4.325
  585   3HG1  VAL  76          HG13      VAL  76 -17.976   3.571  -4.954
  586   1HG2  VAL  76          HG21      VAL  76 -16.281   3.187  -1.802
  587   2HG2  VAL  76          HG22      VAL  76 -16.053   4.450  -3.011
  588   3HG2  VAL  76          HG23      VAL  76 -16.294   2.777  -3.518
  589    H    GLU  77           HN       GLU  77 -17.410   4.940   0.513
  590    HA   GLU  77           HA       GLU  77 -15.918   7.336   0.069
  591   1HB   GLU  77          HB2       GLU  77 -16.796   6.746   2.286
  592   2HB   GLU  77          HB1       GLU  77 -15.749   5.333   2.327
  593   1HG   GLU  77          HG2       GLU  77 -14.822   7.133   3.654
  594   2HG   GLU  77          HG1       GLU  77 -13.785   6.779   2.273
  595    H    ILE  78           HN       ILE  78 -14.061   7.492  -0.961
  596    HA   ILE  78           HA       ILE  78 -12.211   5.195  -0.931
  597    HB   ILE  78           HB       ILE  78 -12.676   7.170  -3.170
  598   1HG1  ILE  78          HG12      ILE  78 -14.379   5.374  -2.953
  599   2HG1  ILE  78          HG11      ILE  78 -13.453   5.258  -4.447
  600   1HG2  ILE  78          HG21      ILE  78 -10.330   6.688  -3.057
  601   2HG2  ILE  78          HG22      ILE  78 -11.019   5.803  -4.418
  602   3HG2  ILE  78          HG23      ILE  78 -10.646   4.959  -2.915
  603   1HD1  ILE  78          HD11      ILE  78 -13.038   3.597  -1.973
  604   2HD1  ILE  78          HD12      ILE  78 -12.093   3.484  -3.458
  605   3HD1  ILE  78          HD13      ILE  78 -13.807   3.071  -3.470
  606    H    LYS  79           HN       LYS  79 -10.779   5.803   0.608
  607    HA   LYS  79           HA       LYS  79  -9.390   8.359   0.194
  608   1HB   LYS  79          HB2       LYS  79  -9.265   8.730   2.581
  609   2HB   LYS  79          HB1       LYS  79 -10.948   8.562   2.103
  610   1HG   LYS  79          HG2       LYS  79  -9.302   6.349   3.313
  611   2HG   LYS  79          HG1       LYS  79 -10.368   7.415   4.226
  612   1HD   LYS  79          HD2       LYS  79 -12.281   6.605   3.009
  613   2HD   LYS  79          HD1       LYS  79 -11.241   5.645   1.949
  614   1HE   LYS  79          HE2       LYS  79 -11.807   5.242   4.872
  615   2HE   LYS  79          HE1       LYS  79 -12.100   4.140   3.532
  616   1HZ   LYS  79          HZ1       LYS  79  -9.724   3.888   3.242
  617   2HZ   LYS  79          HZ2       LYS  79 -10.174   3.469   4.817
  618   3HZ   LYS  79          HZ3       LYS  79  -9.429   4.957   4.520
  619    H    THR  80           HN       THR  80  -8.977   5.291  -0.156
  620    HA   THR  80           HA       THR  80  -6.167   5.408   0.623
  621    HB   THR  80           HB       THR  80  -6.259   3.091   1.532
  622    HG1  THR  80           HG1      THR  80  -8.110   2.043   1.619
  623   1HG2  THR  80          HG21      THR  80  -7.854   5.236   2.930
  624   2HG2  THR  80          HG22      THR  80  -6.136   4.874   3.113
  625   3HG2  THR  80          HG23      THR  80  -7.344   3.735   3.709
  626    H    ASP  81           HN       ASP  81  -8.150   5.207  -1.768
  627    HA   ASP  81           HA       ASP  81  -8.083   4.311  -3.892
  628   1HB   ASP  81          HB2       ASP  81  -5.343   3.480  -2.963
  629   2HB   ASP  81          HB1       ASP  81  -5.912   3.343  -4.623
  630    H    LEU  82           HN       LEU  82  -8.465   2.657  -1.263
  631    HA   LEU  82           HA       LEU  82  -9.241   0.586  -0.717
  632   1HB   LEU  82          HB2       LEU  82  -9.092  -0.037  -3.647
  633   2HB   LEU  82          HB1       LEU  82 -10.149  -0.771  -2.455
  634    HG   LEU  82           HG       LEU  82 -10.627   2.050  -2.517
  635   1HD1  LEU  82          HD11      LEU  82 -11.430   2.293  -4.806
  636   2HD1  LEU  82          HD12      LEU  82 -10.789   0.699  -5.205
  637   3HD1  LEU  82          HD13      LEU  82  -9.690   2.007  -4.763
  638   1HD2  LEU  82          HD21      LEU  82 -12.880   1.348  -3.006
  639   2HD2  LEU  82          HD22      LEU  82 -12.168   0.306  -1.773
  640   3HD2  LEU  82          HD23      LEU  82 -12.310  -0.263  -3.436
  641    H    SER  83           HN       SER  83  -6.673   0.901  -0.248
  642    HA   SER  83           HA       SER  83  -5.096  -1.161  -1.539
  643   1HB   SER  83          HB2       SER  83  -3.300  -0.421   0.010
  644   2HB   SER  83          HB1       SER  83  -3.985   0.921  -0.906
  645    HG   SER  83           HG       SER  83  -4.535   1.799   0.909
  646    H    PHE  84           HN       PHE  84  -4.804  -3.189  -0.804
  647    HA   PHE  84           HA       PHE  84  -6.423  -4.496   0.920
  648   1HB   PHE  84          HB2       PHE  84  -4.815  -5.665  -0.490
  649   2HB   PHE  84          HB1       PHE  84  -3.485  -5.069   0.496
  650    HD1  PHE  84           HD1      PHE  84  -6.024  -7.594   0.126
  651    HD2  PHE  84           HD2      PHE  84  -3.263  -5.858   2.857
  652    HE1  PHE  84           HE1      PHE  84  -6.215  -9.572   1.577
  653    HE2  PHE  84           HE2      PHE  84  -3.450  -7.830   4.308
  654    HZ   PHE  84           HZ       PHE  84  -4.927  -9.693   3.671
  655    H    GLY  85           HN       GLY  85  -6.522  -5.015   3.088
  656   1HA   GLY  85          HA2       GLY  85  -5.989  -4.943   5.343
  657   2HA   GLY  85          HA1       GLY  85  -4.491  -4.120   4.932
  658    H    SER  86           HN       SER  86  -7.884  -3.286   4.282
  659    HA   SER  86           HA       SER  86  -7.844  -1.105   6.152
  660   1HB   SER  86          HB2       SER  86  -7.861  -0.523   3.189
  661   2HB   SER  86          HB1       SER  86  -8.177   0.664   4.455
  662    HG   SER  86           HG       SER  86  -5.799  -0.366   3.570
  663    H    GLN  87           HN       GLN  87  -9.755   0.250   4.199
  664    HA   GLN  87           HA       GLN  87 -11.985  -1.358   3.730
  665   1HB   GLN  87          HB2       GLN  87 -12.025  -1.726   6.129
  666   2HB   GLN  87          HB1       GLN  87 -11.993   0.004   6.429
  667   1HG   GLN  87          HG2       GLN  87 -14.231  -1.276   4.908
  668   2HG   GLN  87          HG1       GLN  87 -14.212  -1.233   6.670
  669   1HE2  GLN  87          HE21      GLN  87 -12.756   1.386   6.527
  670   2HE2  GLN  87          HE22      GLN  87 -13.986   2.550   6.190
  671    H    ILE  88           HN       ILE  88 -13.732  -0.221   2.881
  672    HA   ILE  88           HA       ILE  88 -13.422   2.707   2.735
  673    HB   ILE  88           HB       ILE  88 -14.434   2.561   0.441
  674   1HG1  ILE  88          HG12      ILE  88 -13.473  -0.230   0.178
  675   2HG1  ILE  88          HG11      ILE  88 -14.994  -0.012   1.038
  676   1HG2  ILE  88          HG21      ILE  88 -11.730   1.345   0.957
  677   2HG2  ILE  88          HG22      ILE  88 -12.113   3.042   0.668
  678   3HG2  ILE  88          HG23      ILE  88 -12.288   1.865  -0.634
  679   1HD1  ILE  88          HD11      ILE  88 -15.944   1.122  -0.872
  680   2HD1  ILE  88          HD12      ILE  88 -15.312  -0.455  -1.348
  681   3HD1  ILE  88          HD13      ILE  88 -14.407   1.011  -1.729
  682    H    GLU  89           HN       GLU  89 -15.040   3.632   3.768
  683    HA   GLU  89           HA       GLU  89 -17.442   2.331   4.453
  684   1HB   GLU  89          HB2       GLU  89 -16.400   5.126   4.627
  685   2HB   GLU  89          HB1       GLU  89 -18.106   4.839   4.910
  686   1HG   GLU  89          HG2       GLU  89 -17.591   3.318   6.713
  687   2HG   GLU  89          HG1       GLU  89 -15.866   3.492   6.394
  688    H    PHE  90           HN       PHE  90 -19.545   3.769   4.027
  689    HA   PHE  90           HA       PHE  90 -19.783   4.587   1.243
  690   1HB   PHE  90          HB2       PHE  90 -21.493   2.380   2.426
  691   2HB   PHE  90          HB1       PHE  90 -21.736   3.127   0.851
  692    HD1  PHE  90           HD1      PHE  90 -20.113   2.718  -0.987
  693    HD2  PHE  90           HD2      PHE  90 -19.834   0.717   2.767
  694    HE1  PHE  90           HE1      PHE  90 -18.621   1.049  -1.992
  695    HE2  PHE  90           HE2      PHE  90 -18.339  -0.954   1.762
  696    HZ   PHE  90           HZ       PHE  90 -17.730  -0.792  -0.617
  697    H    SER  91           HN       SER  91 -22.352   5.145   0.984
  698    HA   SER  91           HA       SER  91 -23.515   6.164   3.399
  699   1HB   SER  91          HB2       SER  91 -22.428   8.154   1.403
  700   2HB   SER  91          HB1       SER  91 -23.459   8.543   2.778
  701    HG   SER  91           HG       SER  91 -20.769   7.982   2.693
  702    H    CYS  92           HN       CYS  92 -25.556   5.648   3.094
  703    HA   CYS  92           HA       CYS  92 -26.694   5.697   0.423
  704   1HB   CYS  92          HB2       CYS  92 -27.191   3.930   2.245
  705   2HB   CYS  92          HB1       CYS  92 -28.280   5.138   2.919
  706    H    SER  93           HN       SER  93 -27.826   7.298  -0.419
  707    HA   SER  93           HA       SER  93 -27.809   9.850   0.517
  708   1HB   SER  93          HB2       SER  93 -29.661   8.491  -1.419
  709   2HB   SER  93          HB1       SER  93 -29.754  10.223  -1.092
  710    HG   SER  93           HG       SER  93 -27.957  10.525  -2.169
  711    H    GLU  94           HN       GLU  94 -29.885  11.176   0.568
  712    HA   GLU  94           HA       GLU  94 -30.937  11.261   3.062
  713   1HB   GLU  94          HB2       GLU  94 -31.124  13.064   1.458
  714   2HB   GLU  94          HB1       GLU  94 -32.239  12.113   0.487
  715   1HG   GLU  94          HG2       GLU  94 -33.414  13.778   1.784
  716   2HG   GLU  94          HG1       GLU  94 -33.860  12.151   2.292
  717    H    GLY  95           HN       GLY  95 -33.161  10.330   0.461
  718   1HA   GLY  95          HA2       GLY  95 -35.030   9.281   2.308
  719   2HA   GLY  95          HA1       GLY  95 -35.093   9.131   0.568
  720    H    PHE  96           HN       PHE  96 -32.285   7.845   2.160
  721    HA   PHE  96           HA       PHE  96 -33.460   5.200   2.482
  722   1HB   PHE  96          HB2       PHE  96 -31.048   5.065   0.821
  723   2HB   PHE  96          HB1       PHE  96 -32.533   4.138   0.716
  724    HD1  PHE  96           HD1      PHE  96 -30.667   6.973  -0.513
  725    HD2  PHE  96           HD2      PHE  96 -34.426   4.983  -0.594
  726    HE1  PHE  96           HE1      PHE  96 -31.296   8.242  -2.535
  727    HE2  PHE  96           HE2      PHE  96 -35.066   6.241  -2.603
  728    HZ   PHE  96           HZ       PHE  96 -33.496   7.874  -3.584
  729    H    PHE  97           HN       PHE  97 -31.716   3.589   3.063
  730    HA   PHE  97           HA       PHE  97 -29.514   4.824   4.539
  731   1HB   PHE  97          HB2       PHE  97 -29.989   3.591   6.548
  732   2HB   PHE  97          HB1       PHE  97 -31.437   4.476   6.099
  733    HD1  PHE  97           HD1      PHE  97 -30.254   1.436   7.254
  734    HD2  PHE  97           HD2      PHE  97 -33.084   3.068   4.525
  735    HE1  PHE  97           HE1      PHE  97 -31.575  -0.635   7.389
  736    HE2  PHE  97           HE2      PHE  97 -34.406   0.997   4.650
  737    HZ   PHE  97           HZ       PHE  97 -33.654  -0.857   6.087
  738    H    LEU  98           HN       LEU  98 -28.052   3.044   5.428
  739    HA   LEU  98           HA       LEU  98 -27.420   1.363   3.152
  740   1HB   LEU  98          HB2       LEU  98 -25.727   2.772   4.367
  741   2HB   LEU  98          HB1       LEU  98 -25.858   1.641   5.703
  742    HG   LEU  98           HG       LEU  98 -25.233   0.590   2.980
  743   1HD1  LEU  98          HD11      LEU  98 -23.665   2.342   3.089
  744   2HD1  LEU  98          HD12      LEU  98 -22.803   0.880   3.569
  745   3HD1  LEU  98          HD13      LEU  98 -23.328   2.038   4.792
  746   1HD2  LEU  98          HD21      LEU  98 -25.675  -0.973   4.776
  747   2HD2  LEU  98          HD22      LEU  98 -24.440  -0.208   5.773
  748   3HD2  LEU  98          HD23      LEU  98 -23.979  -1.055   4.296
  749    H    ILE  99           HN       ILE  99 -27.401  -0.786   3.099
  750    HA   ILE  99           HA       ILE  99 -27.819  -2.434   5.460
  751    HB   ILE  99           HB       ILE  99 -29.664  -3.063   3.230
  752   1HG1  ILE  99          HG12      ILE  99 -30.604  -1.036   5.214
  753   2HG1  ILE  99          HG11      ILE  99 -29.756  -0.500   3.770
  754   1HG2  ILE  99          HG21      ILE  99 -29.840  -3.154   6.233
  755   2HG2  ILE  99          HG22      ILE  99 -29.606  -4.507   5.125
  756   3HG2  ILE  99          HG23      ILE  99 -31.144  -3.645   5.152
  757   1HD1  ILE  99          HD11      ILE  99 -32.135  -0.402   3.424
  758   2HD1  ILE  99          HD12      ILE  99 -32.294  -2.109   3.841
  759   3HD1  ILE  99          HD13      ILE  99 -31.423  -1.633   2.381
  760    H    GLY 100           HN       GLY 100 -26.091  -3.597   5.139
  761   1HA   GLY 100          HA2       GLY 100 -25.870  -5.742   3.468
  762   2HA   GLY 100          HA1       GLY 100 -25.131  -4.415   2.566
  763    H    SER 101           HN       SER 101 -23.771  -3.003   4.143
  764    HA   SER 101           HA       SER 101 -22.326  -3.917   6.274
  765   1HB   SER 101          HB2       SER 101 -21.625  -5.808   4.793
  766   2HB   SER 101          HB1       SER 101 -20.921  -4.635   3.680
  767    HG   SER 101           HG       SER 101 -19.684  -3.933   5.628
  768    H    THR 102           HN       THR 102 -22.015  -1.802   6.870
  769    HA   THR 102           HA       THR 102 -21.652   0.277   4.997
  770    HB   THR 102           HB       THR 102 -21.250   1.741   6.879
  771    HG1  THR 102           HG1      THR 102 -19.842   0.257   8.020
  772   1HG2  THR 102          HG21      THR 102 -23.238   1.366   8.189
  773   2HG2  THR 102          HG22      THR 102 -23.272  -0.335   7.725
  774   3HG2  THR 102          HG23      THR 102 -23.571   0.914   6.517
  775    H    THR 103           HN       THR 103 -19.536  -2.034   6.222
  776    HA   THR 103           HA       THR 103 -17.250  -0.391   5.388
  777    HB   THR 103           HB       THR 103 -15.867  -1.890   6.798
  778    HG1  THR 103           HG1      THR 103 -17.254  -3.653   7.045
  779   1HG2  THR 103          HG21      THR 103 -16.489  -0.834   8.928
  780   2HG2  THR 103          HG22      THR 103 -18.026  -0.344   8.215
  781   3HG2  THR 103          HG23      THR 103 -16.514   0.311   7.586
  782    H    SER 104           HN       SER 104 -15.557  -1.477   4.254
  783    HA   SER 104           HA       SER 104 -16.099  -4.146   3.255
  784   1HB   SER 104          HB2       SER 104 -15.775  -1.713   1.478
  785   2HB   SER 104          HB1       SER 104 -15.596  -3.369   0.902
  786    HG   SER 104           HG       SER 104 -17.724  -3.747   1.318
  787    H    ARG 105           HN       ARG 105 -14.287  -5.224   3.624
  788    HA   ARG 105           HA       ARG 105 -11.756  -3.781   3.921
  789   1HB   ARG 105          HB2       ARG 105 -12.418  -6.677   4.499
  790   2HB   ARG 105          HB1       ARG 105 -10.927  -5.847   4.926
  791   1HG   ARG 105          HG2       ARG 105 -12.183  -4.359   6.407
  792   2HG   ARG 105          HG1       ARG 105 -13.672  -5.208   5.987
  793   1HD   ARG 105          HD2       ARG 105 -11.260  -6.417   7.333
  794   2HD   ARG 105          HD1       ARG 105 -12.780  -5.992   8.119
  795    HE   ARG 105           HE       ARG 105 -13.436  -7.715   6.068
  796   1HH1  ARG 105          HH11      ARG 105 -11.467  -7.814   8.941
  797   2HH1  ARG 105          HH12      ARG 105 -11.690  -9.512   9.191
  798   1HH2  ARG 105          HH21      ARG 105 -13.734  -9.955   6.390
  799   2HH2  ARG 105          HH22      ARG 105 -12.978 -10.729   7.741
  800    H    CYS 106           HN       CYS 106  -9.973  -4.133   2.680
  801    HA   CYS 106           HA       CYS 106 -10.474  -5.353   0.111
  802   1HB   CYS 106          HB2       CYS 106  -8.824  -3.228   1.085
  803   2HB   CYS 106          HB1       CYS 106  -7.788  -4.417   0.300
  804    H    GLU 107           HN       GLU 107 -10.074  -7.439  -0.166
  805    HA   GLU 107           HA       GLU 107  -7.870  -8.660   1.348
  806   1HB   GLU 107          HB2       GLU 107 -10.051  -9.351   2.206
  807   2HB   GLU 107          HB1       GLU 107 -10.534  -9.874   0.598
  808   1HG   GLU 107          HG2       GLU 107  -8.934 -11.642   0.609
  809   2HG   GLU 107          HG1       GLU 107  -8.225 -11.059   2.114
  810    H    VAL 108           HN       VAL 108  -7.108 -10.697   0.319
  811    HA   VAL 108           HA       VAL 108  -7.410 -10.794  -2.575
  812    HB   VAL 108           HB       VAL 108  -5.601  -9.321  -2.455
  813   1HG1  VAL 108          HG11      VAL 108  -3.560  -9.748  -1.255
  814   2HG1  VAL 108          HG12      VAL 108  -4.246 -11.241  -0.611
  815   3HG1  VAL 108          HG13      VAL 108  -4.946  -9.685  -0.167
  816   1HG2  VAL 108          HG21      VAL 108  -4.569 -12.110  -2.976
  817   2HG2  VAL 108          HG22      VAL 108  -3.758 -10.627  -3.482
  818   3HG2  VAL 108          HG23      VAL 108  -5.338 -11.041  -4.148
  819    H    GLN 109           HN       GLN 109  -7.138 -12.612  -3.537
  820    HA   GLN 109           HA       GLN 109  -6.370 -14.953  -1.937
  821   1HB   GLN 109          HB2       GLN 109  -8.076 -14.956  -4.425
  822   2HB   GLN 109          HB1       GLN 109  -7.924 -16.227  -3.216
  823   1HG   GLN 109          HG2       GLN 109  -9.181 -15.050  -1.644
  824   2HG   GLN 109          HG1       GLN 109  -8.963 -13.516  -2.485
  825   1HE2  GLN 109          HE21      GLN 109 -11.171 -13.130  -2.455
  826   2HE2  GLN 109          HE22      GLN 109 -12.265 -13.957  -3.506
  827    H    ASP 110           HN       ASP 110  -4.748 -16.232  -2.582
  828    HA   ASP 110           HA       ASP 110  -2.982 -17.045  -3.743
  829   1HB   ASP 110          HB2       ASP 110  -4.668 -16.077  -6.033
  830   2HB   ASP 110          HB1       ASP 110  -3.105 -16.850  -6.292
  831    H    ARG 111           HN       ARG 111  -3.293 -14.641  -6.212
  832    HA   ARG 111           HA       ARG 111  -1.310 -12.924  -4.953
  833   1HB   ARG 111          HB2       ARG 111   0.043 -12.887  -7.034
  834   2HB   ARG 111          HB1       ARG 111   0.032 -14.462  -6.251
  835   1HG   ARG 111          HG2       ARG 111  -1.467 -15.350  -7.857
  836   2HG   ARG 111          HG1       ARG 111  -1.792 -13.751  -8.529
  837   1HD   ARG 111          HD2       ARG 111   0.881 -15.147  -8.589
  838   2HD   ARG 111          HD1       ARG 111  -0.262 -15.092  -9.930
  839    HE   ARG 111           HE       ARG 111   0.077 -12.501  -9.460
  840   1HH1  ARG 111          HH11      ARG 111   2.419 -15.072  -9.673
  841   2HH1  ARG 111          HH12      ARG 111   3.678 -14.048 -10.276
  842   1HH2  ARG 111          HH21      ARG 111   1.726 -11.147 -10.254
  843   2HH2  ARG 111          HH22      ARG 111   3.285 -11.816 -10.606
  844    H    GLY 112           HN       GLY 112  -4.186 -13.179  -6.366
  845   1HA   GLY 112          HA2       GLY 112  -3.989 -10.517  -7.602
  846   2HA   GLY 112          HA1       GLY 112  -5.137 -11.746  -8.138
  847    H    VAL 113           HN       VAL 113  -4.762  -9.012  -6.387
  848    HA   VAL 113           HA       VAL 113  -6.008  -9.355  -4.014
  849    HB   VAL 113           HB       VAL 113  -6.663  -6.920  -5.627
  850   1HG1  VAL 113          HG11      VAL 113  -6.090  -5.877  -3.405
  851   2HG1  VAL 113          HG12      VAL 113  -5.993  -7.515  -2.755
  852   3HG1  VAL 113          HG13      VAL 113  -7.518  -6.914  -3.407
  853   1HG2  VAL 113          HG21      VAL 113  -4.401  -7.223  -6.222
  854   2HG2  VAL 113          HG22      VAL 113  -3.973  -7.844  -4.624
  855   3HG2  VAL 113          HG23      VAL 113  -4.347  -6.129  -4.838
  856    H    GLY 114           HN       GLY 114  -7.991  -9.621  -3.208
  857   1HA   GLY 114          HA2       GLY 114 -10.113  -9.917  -5.225
  858   2HA   GLY 114          HA1       GLY 114  -9.778 -11.180  -4.065
  859    H    TRP 115           HN       TRP 115 -11.249  -8.011  -4.476
  860    HA   TRP 115           HA       TRP 115 -12.075  -7.326  -2.015
  861   1HB   TRP 115          HB2       TRP 115 -13.328  -7.133  -4.681
  862   2HB   TRP 115          HB1       TRP 115 -14.441  -6.981  -3.329
  863    HD1  TRP 115           HD1      TRP 115 -12.414  -4.885  -5.470
  864    HE1  TRP 115           HE1      TRP 115 -11.954  -2.589  -4.384
  865    HE3  TRP 115           HE3      TRP 115 -13.775  -5.968  -0.665
  866    HZ2  TRP 115           HZ2      TRP 115 -12.132  -1.419  -1.840
  867    HZ3  TRP 115           HZ3      TRP 115 -13.602  -4.199   1.035
  868    HH2  TRP 115           HH2      TRP 115 -12.798  -1.968   0.459
  869    H    SER 116           HN       SER 116 -14.157  -7.619  -0.861
  870    HA   SER 116           HA       SER 116 -15.036 -10.431  -1.005
  871   1HB   SER 116          HB2       SER 116 -15.433 -10.319   1.423
  872   2HB   SER 116          HB1       SER 116 -13.748  -9.972   1.033
  873    HG   SER 116           HG       SER 116 -14.157  -7.791   1.340
  874    H    HIS 117           HN       HIS 117 -16.008  -7.073  -0.653
  875    HA   HIS 117           HA       HIS 117 -18.695  -7.717  -1.481
  876   1HB   HIS 117          HB2       HIS 117 -18.776  -8.096   0.975
  877   2HB   HIS 117          HB1       HIS 117 -18.275  -6.427   1.221
  878    HD1  HIS 117           HD1      HIS 117 -20.069  -4.670   1.190
  879    HD2  HIS 117           HD2      HIS 117 -21.417  -8.359  -0.163
  880    HE1  HIS 117           HE1      HIS 117 -22.563  -4.437   0.976
  881    HE2  HIS 117           HE2      HIS 117 -23.367  -6.714   0.259
  882    HA   PRO 118           HA       PRO 118 -18.035  -3.524  -2.896
  883   1HB   PRO 118          HB2       PRO 118 -19.806  -3.642  -4.924
  884   2HB   PRO 118          HB1       PRO 118 -18.261  -4.498  -4.968
  885   1HG   PRO 118          HG2       PRO 118 -20.975  -5.571  -4.697
  886   2HG   PRO 118          HG1       PRO 118 -19.480  -6.407  -5.142
  887   1HD   PRO 118          HD2       PRO 118 -20.801  -6.274  -2.552
  888   2HD   PRO 118          HD1       PRO 118 -19.436  -7.292  -3.056
  889    H    LEU 119           HN       LEU 119 -20.190  -2.210  -4.199
  890    HA   LEU 119           HA       LEU 119 -21.296  -0.608  -2.303
  891   1HB   LEU 119          HB2       LEU 119 -22.781  -1.356  -4.804
  892   2HB   LEU 119          HB1       LEU 119 -22.734   0.184  -3.980
  893    HG   LEU 119           HG       LEU 119 -21.391   0.639  -5.786
  894   1HD1  LEU 119          HD11      LEU 119 -19.421  -0.531  -3.829
  895   2HD1  LEU 119          HD12      LEU 119 -20.121   1.086  -3.744
  896   3HD1  LEU 119          HD13      LEU 119 -19.066   0.651  -5.089
  897   1HD2  LEU 119          HD21      LEU 119 -21.485  -1.543  -6.798
  898   2HD2  LEU 119          HD22      LEU 119 -20.337  -2.174  -5.616
  899   3HD2  LEU 119          HD23      LEU 119 -19.820  -0.962  -6.787
  900    HA   PRO 120           HA       PRO 120 -24.140  -3.342  -0.147
  901   1HB   PRO 120          HB2       PRO 120 -25.031  -0.808   1.084
  902   2HB   PRO 120          HB1       PRO 120 -24.400  -2.269   1.850
  903   1HG   PRO 120          HG2       PRO 120 -22.938  -0.033   1.708
  904   2HG   PRO 120          HG1       PRO 120 -22.195  -1.635   1.543
  905   1HD   PRO 120          HD2       PRO 120 -22.901   0.357  -0.580
  906   2HD   PRO 120          HD1       PRO 120 -21.456  -0.664  -0.426
  907    H    GLN 121           HN       GLN 121 -26.610  -2.615   0.712
  908    HA   GLN 121           HA       GLN 121 -28.019  -2.078  -1.802
  909   1HB   GLN 121          HB2       GLN 121 -28.628  -3.724   0.614
  910   2HB   GLN 121          HB1       GLN 121 -29.954  -3.098  -0.346
  911   1HG   GLN 121          HG2       GLN 121 -28.965  -4.184  -2.340
  912   2HG   GLN 121          HG1       GLN 121 -27.729  -4.884  -1.297
  913   1HE2  GLN 121          HE21      GLN 121 -29.621  -5.278   0.906
  914   2HE2  GLN 121          HE22      GLN 121 -30.583  -6.642   0.462
  915    H    CYS 122           HN       CYS 122 -29.009  -0.183  -2.034
  916    HA   CYS 122           HA       CYS 122 -29.575   1.419   0.347
  917   1HB   CYS 122          HB2       CYS 122 -28.798   2.005  -2.421
  918   2HB   CYS 122          HB1       CYS 122 -30.084   3.040  -1.807
  919    H    GLU 123           HN       GLU 123 -31.602   1.268   1.126
  920    HA   GLU 123           HA       GLU 123 -33.844   1.187  -0.786
  921   1HB   GLU 123          HB2       GLU 123 -33.560  -1.028   0.244
  922   2HB   GLU 123          HB1       GLU 123 -33.610  -0.292   1.840
  923   1HG   GLU 123          HG2       GLU 123 -35.905   0.445   1.426
  924   2HG   GLU 123          HG1       GLU 123 -35.852  -0.308  -0.167
  925    H    ILE 124           HN       ILE 124 -35.566   2.377  -0.331
  926    HA   ILE 124           HA       ILE 124 -35.178   4.734   1.158
  927    HB   ILE 124           HB       ILE 124 -36.629   4.553  -0.846
  928   1HG1  ILE 124          HG12      ILE 124 -38.056   5.561   1.620
  929   2HG1  ILE 124          HG11      ILE 124 -36.831   6.449   0.729
  930   1HG2  ILE 124          HG21      ILE 124 -38.532   3.147   1.022
  931   2HG2  ILE 124          HG22      ILE 124 -37.682   2.417  -0.341
  932   3HG2  ILE 124          HG23      ILE 124 -38.894   3.668  -0.625
  933   1HD1  ILE 124          HD11      ILE 124 -38.990   7.267   0.124
  934   2HD1  ILE 124          HD12      ILE 124 -39.548   5.639  -0.262
  935   3HD1  ILE 124          HD13      ILE 124 -38.303   6.402  -1.252
  936    H    LEU 125           HN       LEU 125 -35.999   5.432   3.089
  937    HA   LEU 125           HA       LEU 125 -36.362   3.540   5.137
  938   1HB   LEU 125          HB2       LEU 125 -37.197   6.441   5.180
  939   2HB   LEU 125          HB1       LEU 125 -36.865   5.425   6.569
  940    HG   LEU 125           HG       LEU 125 -34.791   6.204   4.516
  941   1HD1  LEU 125          HD11      LEU 125 -35.572   8.183   5.679
  942   2HD1  LEU 125          HD12      LEU 125 -33.953   7.750   6.230
  943   3HD1  LEU 125          HD13      LEU 125 -35.355   7.380   7.234
  944   1HD2  LEU 125          HD21      LEU 125 -34.411   5.077   7.282
  945   2HD2  LEU 125          HD22      LEU 125 -33.189   5.311   6.030
  946   3HD2  LEU 125          HD23      LEU 125 -34.443   4.087   5.823
  947    H    GLU 126           HN       GLU 126 -38.634   5.373   3.177
  948    HA   GLU 126           HA       GLU 126 -40.967   4.783   4.643
  949   1HB   GLU 126          HB2       GLU 126 -40.743   5.311   1.675
  950   2HB   GLU 126          HB1       GLU 126 -42.184   5.491   2.666
  951   1HG   GLU 126          HG2       GLU 126 -39.663   7.124   2.834
  952   2HG   GLU 126          HG1       GLU 126 -41.230   7.650   2.222
  953    H    HIS 127           HN       HIS 127 -42.830   3.549   3.439
  954    HA   HIS 127           HA       HIS 127 -42.042   0.802   3.380
  955   1HB   HIS 127          HB2       HIS 127 -44.709   2.070   2.716
  956   2HB   HIS 127          HB1       HIS 127 -44.428   0.353   2.992
  957    HD1  HIS 127           HD1      HIS 127 -44.643   3.631   4.798
  958    HD2  HIS 127           HD2      HIS 127 -44.229  -0.413   5.660
  959    HE1  HIS 127           HE1      HIS 127 -44.989   3.434   7.281
  960    HE2  HIS 127           HE2      HIS 127 -44.683   0.985   7.788
  961    H    HIS 128           HN       HIS 128 -41.494  -0.413   1.692
  962    HA   HIS 128           HA       HIS 128 -42.547   0.013  -0.935
  963   1HB   HIS 128          HB2       HIS 128 -40.755   1.756  -0.803
  964   2HB   HIS 128          HB1       HIS 128 -39.581   0.467  -0.556
  965    HD1  HIS 128           HD1      HIS 128 -41.863   1.902  -3.176
  966    HD2  HIS 128           HD2      HIS 128 -38.795  -0.881  -2.844
  967    HE1  HIS 128           HE1      HIS 128 -41.243   1.301  -5.537
  968    HE2  HIS 128           HE2      HIS 128 -39.429  -0.434  -5.311
  969    H    HIS 129           HN       HIS 129 -42.571  -1.863  -2.026
  970    HA   HIS 129           HA       HIS 129 -40.557  -3.872  -1.728
  971   1HB   HIS 129          HB2       HIS 129 -42.072  -5.625  -0.816
  972   2HB   HIS 129          HB1       HIS 129 -41.732  -4.336   0.334
  973    HD1  HIS 129           HD1      HIS 129 -43.691  -2.601   0.754
  974    HD2  HIS 129           HD2      HIS 129 -44.730  -5.980  -1.431
  975    HE1  HIS 129           HE1      HIS 129 -46.205  -2.675   0.786
  976    HE2  HIS 129           HE2      HIS 129 -46.810  -4.761  -0.493
  977    H    HIS 130           HN       HIS 130 -41.076  -5.839  -3.015
  978    HA   HIS 130           HA       HIS 130 -43.212  -5.551  -4.966
  979   1HB   HIS 130          HB2       HIS 130 -41.330  -4.260  -5.926
  980   2HB   HIS 130          HB1       HIS 130 -40.311  -5.692  -5.820
  981    HD1  HIS 130           HD1      HIS 130 -40.637  -7.511  -7.593
  982    HD2  HIS 130           HD2      HIS 130 -43.257  -4.310  -7.985
  983    HE1  HIS 130           HE1      HIS 130 -41.712  -7.795  -9.848
  984    HE2  HIS 130           HE2      HIS 130 -43.230  -5.800 -10.099
  985    H    HIS 131           HN       HIS 131 -43.927  -7.480  -5.732
  986    HA   HIS 131           HA       HIS 131 -43.219  -9.843  -4.390
  987   1HB   HIS 131          HB2       HIS 131 -44.649 -10.973  -6.106
  988   2HB   HIS 131          HB1       HIS 131 -45.429  -9.612  -5.306
  989    HD1  HIS 131           HD1      HIS 131 -46.278  -7.757  -6.765
  990    HD2  HIS 131           HD2      HIS 131 -43.804 -10.394  -8.813
  991    HE1  HIS 131           HE1      HIS 131 -46.457  -7.103  -9.187
  992    HE2  HIS 131           HE2      HIS 131 -44.974  -8.731 -10.411
  993    H    HIS 132           HN       HIS 132 -42.592 -11.902  -5.552
  994    HA   HIS 132           HA       HIS 132 -40.088 -11.425  -6.924
  995   1HB   HIS 132          HB2       HIS 132 -41.408 -13.984  -5.999
  996   2HB   HIS 132          HB1       HIS 132 -39.807 -13.893  -6.727
  997    HD1  HIS 132           HD1      HIS 132 -37.957 -13.764  -5.098
  998    HD2  HIS 132           HD2      HIS 132 -41.505 -12.281  -3.523
  999    HE1  HIS 132           HE1      HIS 132 -37.438 -13.174  -2.710
 1000    HE2  HIS 132           HE2      HIS 132 -39.578 -12.203  -1.801
  Start of MODEL   26
    1   1H    MET   0           HT1      MET   0  34.488  -1.573  -3.361
    2   2H    MET   0           HT2      MET   0  33.854  -2.919  -4.166
    3   3H    MET   0           HT3      MET   0  35.373  -3.014  -3.428
    4    HA   MET   0           HA       MET   0  33.708  -4.142  -2.111
    5   1HB   MET   0          HB2       MET   0  34.139  -2.984   0.022
    6   2HB   MET   0          HB1       MET   0  35.593  -3.119  -0.957
    7   1HG   MET   0          HG2       MET   0  35.471  -0.826  -1.590
    8   2HG   MET   0          HG1       MET   0  33.879  -0.652  -0.855
    9   1HE   MET   0          HE1       MET   0  37.707  -1.243  -0.176
   10   2HE   MET   0          HE2       MET   0  36.952  -2.615   0.635
   11   3HE   MET   0          HE3       MET   0  37.737  -1.354   1.585
   12    H    ASN   1           HN       ASN   1  32.821  -1.012  -3.219
   13    HA   ASN   1           HA       ASN   1  30.494  -0.709  -1.584
   14   1HB   ASN   1          HB2       ASN   1  31.710   0.737  -3.874
   15   2HB   ASN   1          HB1       ASN   1  29.983   0.963  -3.609
   16   1HD2  ASN   1          HD21      ASN   1  30.068   0.648  -0.785
   17   2HD2  ASN   1          HD22      ASN   1  30.809   2.064  -0.130
   18    H    CYS   2           HN       CYS   2  28.292  -0.706  -2.345
   19    HA   CYS   2           HA       CYS   2  27.790  -2.981  -4.078
   20   1HB   CYS   2          HB2       CYS   2  26.012  -1.333  -2.288
   21   2HB   CYS   2          HB1       CYS   2  25.392  -2.602  -3.339
   22    H    GLY   3           HN       GLY   3  28.108   0.292  -4.545
   23   1HA   GLY   3          HA2       GLY   3  27.874   1.314  -6.665
   24   2HA   GLY   3          HA1       GLY   3  26.668   0.106  -7.087
   25    HA   PRO   4           HA       PRO   4  25.007   4.464  -5.559
   26   1HB   PRO   4          HB2       PRO   4  24.004   4.243  -8.374
   27   2HB   PRO   4          HB1       PRO   4  24.431   5.686  -7.445
   28   1HG   PRO   4          HG2       PRO   4  26.118   4.733  -9.254
   29   2HG   PRO   4          HG1       PRO   4  26.720   5.325  -7.696
   30   1HD   PRO   4          HD2       PRO   4  26.407   2.522  -8.665
   31   2HD   PRO   4          HD1       PRO   4  27.635   3.216  -7.587
   32    HA   PRO   5           HA       PRO   5  21.434   2.122  -4.342
   33   1HB   PRO   5          HB2       PRO   5  20.326   4.831  -3.822
   34   2HB   PRO   5          HB1       PRO   5  20.456   3.440  -2.741
   35   1HG   PRO   5          HG2       PRO   5  22.090   5.524  -2.476
   36   2HG   PRO   5          HG1       PRO   5  22.683   3.867  -2.247
   37   1HD   PRO   5          HD2       PRO   5  23.027   5.701  -4.585
   38   2HD   PRO   5          HD1       PRO   5  24.185   4.567  -3.862
   39    HA   PRO   6           HA       PRO   6  19.273   2.530  -8.320
   40   1HB   PRO   6          HB2       PRO   6  17.591   0.399  -7.693
   41   2HB   PRO   6          HB1       PRO   6  19.125   0.268  -8.555
   42   1HG   PRO   6          HG2       PRO   6  18.503  -0.231  -5.684
   43   2HG   PRO   6          HG1       PRO   6  19.639  -1.075  -6.755
   44   1HD   PRO   6          HD2       PRO   6  20.478   0.678  -4.903
   45   2HD   PRO   6          HD1       PRO   6  21.286   0.523  -6.477
   46    H    THR   7           HN       THR   7  16.829   2.175  -8.731
   47    HA   THR   7           HA       THR   7  15.407   4.005  -6.933
   48    HB   THR   7           HB       THR   7  14.719   3.155  -9.759
   49    HG1  THR   7           HG1      THR   7  15.236   5.791  -9.371
   50   1HG2  THR   7          HG21      THR   7  13.038   4.931  -9.672
   51   2HG2  THR   7          HG22      THR   7  13.460   5.257  -7.991
   52   3HG2  THR   7          HG23      THR   7  12.731   3.713  -8.433
   53    H    LEU   8           HN       LEU   8  13.757   3.279  -5.705
   54    HA   LEU   8           HA       LEU   8  12.828   0.540  -6.180
   55   1HB   LEU   8          HB2       LEU   8  12.744   2.208  -3.669
   56   2HB   LEU   8          HB1       LEU   8  12.159   0.561  -3.813
   57    HG   LEU   8           HG       LEU   8  14.596   0.035  -4.554
   58   1HD1  LEU   8          HD11      LEU   8  14.972   2.632  -3.081
   59   2HD1  LEU   8          HD12      LEU   8  15.392   2.298  -4.762
   60   3HD1  LEU   8          HD13      LEU   8  16.256   1.484  -3.458
   61   1HD2  LEU   8          HD21      LEU   8  13.981   0.738  -1.688
   62   2HD2  LEU   8          HD22      LEU   8  15.194  -0.413  -2.252
   63   3HD2  LEU   8          HD23      LEU   8  13.479  -0.748  -2.496
   64    H    SER   9           HN       SER   9  10.976   0.499  -7.280
   65    HA   SER   9           HA       SER   9   9.069   2.651  -7.106
   66   1HB   SER   9          HB2       SER   9   7.744   1.294  -8.699
   67   2HB   SER   9          HB1       SER   9   9.410   1.489  -9.245
   68    HG   SER   9           HG       SER   9   8.804  -0.740  -7.682
   69    H    PHE  10           HN       PHE  10   9.836   0.408  -4.992
   70    HA   PHE  10           HA       PHE  10   7.072   0.099  -4.047
   71   1HB   PHE  10          HB2       PHE  10   7.720  -2.041  -3.003
   72   2HB   PHE  10          HB1       PHE  10   7.882  -2.086  -4.752
   73    HD1  PHE  10           HD1      PHE  10  10.274  -1.552  -5.671
   74    HD2  PHE  10           HD2      PHE  10   9.432  -2.803  -1.691
   75    HE1  PHE  10           HE1      PHE  10  12.595  -2.332  -5.432
   76    HE2  PHE  10           HE2      PHE  10  11.754  -3.582  -1.443
   77    HZ   PHE  10           HZ       PHE  10  13.338  -3.348  -3.315
   78    H    ALA  11           HN       ALA  11   8.588   2.281  -3.500
   79    HA   ALA  11           HA       ALA  11   8.372   2.806  -0.904
   80   1HB   ALA  11          HB1       ALA  11  11.155   1.697  -1.353
   81   2HB   ALA  11          HB2       ALA  11   9.911   1.002  -0.312
   82   3HB   ALA  11          HB3       ALA  11  10.631   2.561   0.094
   83    H    ALA  12           HN       ALA  12  10.622   4.299  -0.285
   84    HA   ALA  12           HA       ALA  12  11.328   5.961  -2.473
   85   1HB   ALA  12          HB1       ALA  12  10.179   7.996  -1.849
   86   2HB   ALA  12          HB2       ALA  12   9.406   7.179  -0.491
   87   3HB   ALA  12          HB3       ALA  12   9.000   6.717  -2.144
   88    HA   PRO  13           HA       PRO  13  14.677   6.668   0.332
   89   1HB   PRO  13          HB2       PRO  13  15.212   9.113  -1.228
   90   2HB   PRO  13          HB1       PRO  13  16.231   7.691  -0.983
   91   1HG   PRO  13          HG2       PRO  13  15.051   8.179  -3.340
   92   2HG   PRO  13          HG1       PRO  13  15.257   6.528  -2.725
   93   1HD   PRO  13          HD2       PRO  13  12.811   8.259  -2.733
   94   2HD   PRO  13          HD1       PRO  13  12.965   6.522  -3.072
   95    H    MET  14           HN       MET  14  15.165   7.904   2.113
   96    HA   MET  14           HA       MET  14  14.009  10.528   2.478
   97   1HB   MET  14          HB2       MET  14  13.006   8.111   3.930
   98   2HB   MET  14          HB1       MET  14  12.980   9.681   4.720
   99   1HG   MET  14          HG2       MET  14  11.621   8.979   2.128
  100   2HG   MET  14          HG1       MET  14  10.841   9.182   3.697
  101   1HE   MET  14          HE1       MET  14  12.398  11.648   4.904
  102   2HE   MET  14          HE2       MET  14  10.640  11.523   4.963
  103   3HE   MET  14          HE3       MET  14  11.400  13.003   4.377
  104    H    ASP  15           HN       ASP  15  16.364   8.275   3.027
  105    HA   ASP  15           HA       ASP  15  17.705  10.025   4.925
  106   1HB   ASP  15          HB2       ASP  15  16.543   8.350   6.329
  107   2HB   ASP  15          HB1       ASP  15  17.380   7.065   5.463
  108    H    ILE  16           HN       ILE  16  18.992  10.485   3.103
  109    HA   ILE  16           HA       ILE  16  21.315   8.918   2.865
  110    HB   ILE  16           HB       ILE  16  20.219   7.452   1.444
  111   1HG1  ILE  16          HG12      ILE  16  21.400   9.584  -0.323
  112   2HG1  ILE  16          HG11      ILE  16  22.280   8.255   0.423
  113   1HG2  ILE  16          HG21      ILE  16  18.118   8.592   1.229
  114   2HG2  ILE  16          HG22      ILE  16  18.700   8.139  -0.373
  115   3HG2  ILE  16          HG23      ILE  16  18.850   9.807   0.181
  116   1HD1  ILE  16          HD11      ILE  16  20.130   7.977  -1.665
  117   2HD1  ILE  16          HD12      ILE  16  21.060   6.663  -0.945
  118   3HD1  ILE  16          HD13      ILE  16  21.867   7.868  -1.949
  119    H    THR  17           HN       THR  17  22.476  10.781   3.149
  120    HA   THR  17           HA       THR  17  21.997  13.235   1.908
  121    HB   THR  17           HB       THR  17  24.443  13.692   2.237
  122    HG1  THR  17           HG1      THR  17  24.402  11.008   3.194
  123   1HG2  THR  17          HG21      THR  17  22.867  14.197   4.018
  124   2HG2  THR  17          HG22      THR  17  24.374  13.588   4.703
  125   3HG2  THR  17          HG23      THR  17  22.961  12.536   4.602
  126    H    LEU  18           HN       LEU  18  21.966  13.684  -0.199
  127    HA   LEU  18           HA       LEU  18  23.025  11.844  -2.093
  128   1HB   LEU  18          HB2       LEU  18  21.402  14.314  -2.163
  129   2HB   LEU  18          HB1       LEU  18  22.323  13.949  -3.607
  130    HG   LEU  18           HG       LEU  18  20.067  13.074  -3.810
  131   1HD1  LEU  18          HD11      LEU  18  21.843  11.813  -4.877
  132   2HD1  LEU  18          HD12      LEU  18  20.594  10.722  -4.276
  133   3HD1  LEU  18          HD13      LEU  18  22.112  10.899  -3.393
  134   1HD2  LEU  18          HD21      LEU  18  19.160  11.437  -2.320
  135   2HD2  LEU  18          HD22      LEU  18  19.684  12.822  -1.358
  136   3HD2  LEU  18          HD23      LEU  18  20.669  11.358  -1.408
  137    H    THR  19           HN       THR  19  25.087  12.815  -0.504
  138    HA   THR  19           HA       THR  19  26.569  14.612  -2.300
  139    HB   THR  19           HB       THR  19  27.999  15.175  -0.450
  140    HG1  THR  19           HG1      THR  19  26.829  12.912   0.677
  141   1HG2  THR  19          HG21      THR  19  26.376  16.152   1.133
  142   2HG2  THR  19          HG22      THR  19  25.103  15.163   0.413
  143   3HG2  THR  19          HG23      THR  19  25.905  16.408  -0.548
  144    H    GLU  20           HN       GLU  20  26.211  11.419  -1.459
  145    HA   GLU  20           HA       GLU  20  28.884  10.759  -2.495
  146   1HB   GLU  20          HB2       GLU  20  27.428   9.383  -0.229
  147   2HB   GLU  20          HB1       GLU  20  28.899   8.783  -0.982
  148   1HG   GLU  20          HG2       GLU  20  28.677  11.449   0.389
  149   2HG   GLU  20          HG1       GLU  20  29.244   9.975   1.172
  150    H    THR  21           HN       THR  21  28.883   9.353  -4.148
  151    HA   THR  21           HA       THR  21  26.324   8.274  -5.035
  152    HB   THR  21           HB       THR  21  28.922   7.902  -6.492
  153    HG1  THR  21           HG1      THR  21  27.455  10.099  -7.253
  154   1HG2  THR  21          HG21      THR  21  26.961   6.742  -7.352
  155   2HG2  THR  21          HG22      THR  21  27.448   8.024  -8.461
  156   3HG2  THR  21          HG23      THR  21  26.062   8.259  -7.395
  157    H    ARG  22           HN       ARG  22  28.815   7.294  -3.107
  158    HA   ARG  22           HA       ARG  22  28.319   4.448  -3.677
  159   1HB   ARG  22          HB2       ARG  22  30.894   5.692  -2.721
  160   2HB   ARG  22          HB1       ARG  22  30.607   3.973  -2.943
  161   1HG   ARG  22          HG2       ARG  22  30.320   4.295  -5.326
  162   2HG   ARG  22          HG1       ARG  22  30.525   6.038  -5.133
  163   1HD   ARG  22          HD2       ARG  22  32.587   3.924  -4.522
  164   2HD   ARG  22          HD1       ARG  22  32.582   4.995  -5.923
  165    HE   ARG  22           HE       ARG  22  32.531   6.675  -3.770
  166   1HH1  ARG  22          HH11      ARG  22  34.623   4.103  -4.844
  167   2HH1  ARG  22          HH12      ARG  22  36.042   4.782  -4.121
  168   1HH2  ARG  22          HH21      ARG  22  34.395   7.576  -2.817
  169   2HH2  ARG  22          HH22      ARG  22  35.913   6.754  -2.969
  170    H    PHE  23           HN       PHE  23  28.397   3.050  -1.768
  171    HA   PHE  23           HA       PHE  23  28.378   4.352   0.834
  172   1HB   PHE  23          HB2       PHE  23  25.993   2.771  -0.170
  173   2HB   PHE  23          HB1       PHE  23  26.181   3.436   1.449
  174    HD1  PHE  23           HD1      PHE  23  25.945   4.413  -2.121
  175    HD2  PHE  23           HD2      PHE  23  25.432   5.596   1.934
  176    HE1  PHE  23           HE1      PHE  23  24.913   6.505  -2.870
  177    HE2  PHE  23           HE2      PHE  23  24.386   7.695   1.187
  178    HZ   PHE  23           HZ       PHE  23  24.123   8.153  -1.217
  179    H    LYS  24           HN       LYS  24  29.706   3.136   2.014
  180    HA   LYS  24           HA       LYS  24  30.709   0.649   1.360
  181   1HB   LYS  24          HB2       LYS  24  31.335   0.493   3.813
  182   2HB   LYS  24          HB1       LYS  24  31.906   1.905   2.938
  183   1HG   LYS  24          HG2       LYS  24  30.058   3.219   3.884
  184   2HG   LYS  24          HG1       LYS  24  29.530   1.798   4.786
  185   1HD   LYS  24          HD2       LYS  24  32.223   3.131   5.059
  186   2HD   LYS  24          HD1       LYS  24  30.864   3.345   6.164
  187   1HE   LYS  24          HE2       LYS  24  30.908   0.946   6.671
  188   2HE   LYS  24          HE1       LYS  24  32.282   0.746   5.583
  189   1HZ   LYS  24          HZ1       LYS  24  33.547   2.267   7.001
  190   2HZ   LYS  24          HZ2       LYS  24  33.031   0.901   7.853
  191   3HZ   LYS  24          HZ3       LYS  24  32.236   2.378   8.064
  192    H    THR  25           HN       THR  25  30.630  -1.290   2.920
  193    HA   THR  25           HA       THR  25  28.052  -2.445   2.698
  194    HB   THR  25           HB       THR  25  29.221  -4.238   4.224
  195    HG1  THR  25           HG1      THR  25  31.603  -3.545   3.120
  196   1HG2  THR  25          HG21      THR  25  30.234  -3.810   1.417
  197   2HG2  THR  25          HG22      THR  25  28.618  -4.408   1.783
  198   3HG2  THR  25          HG23      THR  25  30.033  -5.347   2.263
  199    H    GLY  26           HN       GLY  26  29.324  -0.374   4.966
  200   1HA   GLY  26          HA2       GLY  26  27.639  -1.426   7.144
  201   2HA   GLY  26          HA1       GLY  26  28.958  -0.277   7.346
  202    H    THR  27           HN       THR  27  26.817   0.076   4.714
  203    HA   THR  27           HA       THR  27  25.745   2.538   5.909
  204    HB   THR  27           HB       THR  27  26.912   2.401   3.550
  205    HG1  THR  27           HG1      THR  27  24.483   3.816   3.509
  206   1HG2  THR  27          HG21      THR  27  24.080   1.978   2.657
  207   2HG2  THR  27          HG22      THR  27  25.155   0.597   2.899
  208   3HG2  THR  27          HG23      THR  27  25.578   1.847   1.727
  209    H    THR  28           HN       THR  28  23.495   3.056   5.614
  210    HA   THR  28           HA       THR  28  21.682   0.992   4.763
  211    HB   THR  28           HB       THR  28  21.734   1.801   7.680
  212    HG1  THR  28           HG1      THR  28  22.087  -0.457   7.977
  213   1HG2  THR  28          HG21      THR  28  19.765   0.095   6.154
  214   2HG2  THR  28          HG22      THR  28  19.442   1.655   6.913
  215   3HG2  THR  28          HG23      THR  28  19.818   0.250   7.911
  216    H    LEU  29           HN       LEU  29  20.041   1.962   3.794
  217    HA   LEU  29           HA       LEU  29  19.573   4.787   4.419
  218   1HB   LEU  29          HB2       LEU  29  18.546   3.340   1.994
  219   2HB   LEU  29          HB1       LEU  29  18.654   5.069   2.254
  220    HG   LEU  29           HG       LEU  29  21.212   4.683   2.328
  221   1HD1  LEU  29          HD11      LEU  29  21.872   2.750   0.873
  222   2HD1  LEU  29          HD12      LEU  29  20.231   2.130   1.072
  223   3HD1  LEU  29          HD13      LEU  29  21.283   2.311   2.478
  224   1HD2  LEU  29          HD21      LEU  29  20.052   5.875   0.546
  225   2HD2  LEU  29          HD22      LEU  29  19.657   4.344  -0.234
  226   3HD2  LEU  29          HD23      LEU  29  21.339   4.861  -0.108
  227    H    LYS  30           HN       LYS  30  17.783   5.339   5.484
  228    HA   LYS  30           HA       LYS  30  15.785   3.412   6.122
  229   1HB   LYS  30          HB2       LYS  30  16.236   6.295   6.714
  230   2HB   LYS  30          HB1       LYS  30  14.616   5.645   6.915
  231   1HG   LYS  30          HG2       LYS  30  15.480   3.967   8.465
  232   2HG   LYS  30          HG1       LYS  30  17.112   4.602   8.246
  233   1HD   LYS  30          HD2       LYS  30  16.382   6.764   9.146
  234   2HD   LYS  30          HD1       LYS  30  14.760   6.110   9.385
  235   1HE   LYS  30          HE2       LYS  30  17.286   5.108  10.693
  236   2HE   LYS  30          HE1       LYS  30  16.041   6.090  11.465
  237   1HZ   LYS  30          HZ1       LYS  30  15.772   3.765  12.020
  238   2HZ   LYS  30          HZ2       LYS  30  15.672   3.348  10.384
  239   3HZ   LYS  30          HZ3       LYS  30  14.459   4.291  11.091
  240    H    TYR  31           HN       TYR  31  14.102   2.875   4.943
  241    HA   TYR  31           HA       TYR  31  13.187   4.761   2.882
  242   1HB   TYR  31          HB2       TYR  31  13.717   1.845   2.794
  243   2HB   TYR  31          HB1       TYR  31  12.300   2.413   1.912
  244    HD1  TYR  31           HD1      TYR  31  15.970   2.808   2.241
  245    HD2  TYR  31           HD2      TYR  31  12.532   3.535  -0.157
  246    HE1  TYR  31           HE1      TYR  31  17.422   3.508   0.385
  247    HE2  TYR  31           HE2      TYR  31  13.975   4.236  -2.022
  248    HH   TYR  31           HH       TYR  31  16.250   5.114  -2.361
  249    H    THR  32           HN       THR  32  11.014   5.039   2.560
  250    HA   THR  32           HA       THR  32   9.270   4.006   4.701
  251    HB   THR  32           HB       THR  32   9.260   6.294   5.076
  252    HG1  THR  32           HG1      THR  32   7.282   6.892   3.421
  253   1HG2  THR  32          HG21      THR  32   9.458   6.618   2.090
  254   2HG2  THR  32          HG22      THR  32  10.647   7.059   3.321
  255   3HG2  THR  32          HG23      THR  32   9.138   7.964   3.185
  256    H    CYS  33           HN       CYS  33   6.808   4.322   3.823
  257    HA   CYS  33           HA       CYS  33   6.724   3.279   1.083
  258   1HB   CYS  33          HB2       CYS  33   5.380   2.040   3.484
  259   2HB   CYS  33          HB1       CYS  33   5.021   1.604   1.817
  260    H    LEU  34           HN       LEU  34   5.680   4.666   0.015
  261    HA   LEU  34           HA       LEU  34   4.002   6.653   0.623
  262   1HB   LEU  34          HB2       LEU  34   3.449   4.853  -1.732
  263   2HB   LEU  34          HB1       LEU  34   3.046   6.553  -1.582
  264    HG   LEU  34           HG       LEU  34   5.874   5.482  -1.638
  265   1HD1  LEU  34          HD11      LEU  34   4.891   5.033  -3.770
  266   2HD1  LEU  34          HD12      LEU  34   5.929   6.450  -3.931
  267   3HD1  LEU  34          HD13      LEU  34   4.177   6.646  -3.839
  268   1HD2  LEU  34          HD21      LEU  34   5.544   7.640  -0.478
  269   2HD2  LEU  34          HD22      LEU  34   4.844   8.296  -1.959
  270   3HD2  LEU  34          HD23      LEU  34   6.529   7.774  -1.934
  271    HA   PRO  35           HA       PRO  35   0.379   5.546   2.774
  272   1HB   PRO  35          HB2       PRO  35  -1.420   6.868   0.999
  273   2HB   PRO  35          HB1       PRO  35  -0.782   7.449   2.537
  274   1HG   PRO  35          HG2       PRO  35   0.125   8.023  -0.222
  275   2HG   PRO  35          HG1       PRO  35   0.260   9.016   1.240
  276   1HD   PRO  35          HD2       PRO  35   2.393   7.788   0.184
  277   2HD   PRO  35          HD1       PRO  35   2.191   7.939   1.944
  278    H    GLY  36           HN       GLY  36  -0.227   3.500   2.703
  279   1HA   GLY  36          HA2       GLY  36  -2.072   2.058   2.101
  280   2HA   GLY  36          HA1       GLY  36  -1.974   2.694   0.470
  281    H    TYR  37           HN       TYR  37   0.981   2.426   0.476
  282    HA   TYR  37           HA       TYR  37   1.606   0.399  -0.991
  283   1HB   TYR  37          HB2       TYR  37   3.035   1.830   1.027
  284   2HB   TYR  37          HB1       TYR  37   3.594   0.160   0.979
  285    HD1  TYR  37           HD1      TYR  37   4.320  -0.794  -1.273
  286    HD2  TYR  37           HD2      TYR  37   3.708   3.358  -0.596
  287    HE1  TYR  37           HE1      TYR  37   5.659  -0.276  -3.265
  288    HE2  TYR  37           HE2      TYR  37   5.054   3.884  -2.581
  289    HH   TYR  37           HH       TYR  37   6.792   2.851  -3.952
  290    H    VAL  38           HN       VAL  38   0.516  -0.273   2.313
  291    HA   VAL  38           HA       VAL  38  -0.072  -2.244   3.266
  292    HB   VAL  38           HB       VAL  38  -0.797  -4.026   2.051
  293   1HG1  VAL  38          HG11      VAL  38  -1.807  -2.072   1.018
  294   2HG1  VAL  38          HG12      VAL  38  -1.609  -3.381  -0.147
  295   3HG1  VAL  38          HG13      VAL  38  -0.498  -2.011  -0.165
  296   1HG2  VAL  38          HG21      VAL  38   1.410  -3.687   0.031
  297   2HG2  VAL  38          HG22      VAL  38   0.246  -5.009   0.107
  298   3HG2  VAL  38          HG23      VAL  38   1.432  -4.803   1.396
  299    H    ARG  39           HN       ARG  39   1.101  -4.707   3.430
  300    HA   ARG  39           HA       ARG  39   3.904  -4.569   2.970
  301   1HB   ARG  39          HB2       ARG  39   4.652  -4.467   5.320
  302   2HB   ARG  39          HB1       ARG  39   3.865  -2.985   4.794
  303   1HG   ARG  39          HG2       ARG  39   1.827  -3.633   5.942
  304   2HG   ARG  39          HG1       ARG  39   2.569  -5.160   6.427
  305   1HD   ARG  39          HD2       ARG  39   2.647  -3.596   8.267
  306   2HD   ARG  39          HD1       ARG  39   4.280  -3.903   7.676
  307    HE   ARG  39           HE       ARG  39   3.329  -1.647   6.357
  308   1HH1  ARG  39          HH11      ARG  39   4.115  -2.623   9.608
  309   2HH1  ARG  39          HH12      ARG  39   4.567  -1.029  10.115
  310   1HH2  ARG  39          HH21      ARG  39   3.920   0.453   7.014
  311   2HH2  ARG  39          HH22      ARG  39   4.454   0.720   8.640
  312    H    SER  40           HN       SER  40   5.054  -6.392   3.455
  313    HA   SER  40           HA       SER  40   3.576  -8.662   4.590
  314   1HB   SER  40          HB2       SER  40   3.494  -8.891   2.154
  315   2HB   SER  40          HB1       SER  40   5.245  -8.708   2.060
  316    HG   SER  40           HG       SER  40   5.470 -10.727   2.603
  317    H    HIS  41           HN       HIS  41   6.302  -6.725   4.582
  318    HA   HIS  41           HA       HIS  41   7.752  -8.669   6.238
  319   1HB   HIS  41          HB2       HIS  41   8.871  -7.060   3.951
  320   2HB   HIS  41          HB1       HIS  41   9.900  -7.670   5.245
  321    HD1  HIS  41           HD1      HIS  41   8.436  -8.625   2.064
  322    HD2  HIS  41           HD2      HIS  41   9.811 -10.596   5.451
  323    HE1  HIS  41           HE1      HIS  41   8.788 -11.009   1.355
  324    HE2  HIS  41           HE2      HIS  41   9.526 -12.205   3.445
  325    H    SER  42           HN       SER  42   6.805  -5.419   5.582
  326    HA   SER  42           HA       SER  42   6.715  -3.580   6.912
  327   1HB   SER  42          HB2       SER  42   6.171  -5.074   8.765
  328   2HB   SER  42          HB1       SER  42   7.887  -5.372   9.042
  329    HG   SER  42           HG       SER  42   7.957  -2.951   9.272
  330    H    THR  43           HN       THR  43   9.630  -4.985   8.323
  331    HA   THR  43           HA       THR  43  11.192  -2.795   8.540
  332    HB   THR  43           HB       THR  43  12.297  -5.420   7.538
  333    HG1  THR  43           HG1      THR  43  11.227  -4.652  10.013
  334   1HG2  THR  43          HG21      THR  43  13.902  -3.571   7.582
  335   2HG2  THR  43          HG22      THR  43  14.281  -4.771   8.818
  336   3HG2  THR  43          HG23      THR  43  13.499  -3.257   9.270
  337    H    GLN  44           HN       GLN  44  12.299  -1.408   7.292
  338    HA   GLN  44           HA       GLN  44  12.689  -2.050   4.454
  339   1HB   GLN  44          HB2       GLN  44  12.159   0.754   4.721
  340   2HB   GLN  44          HB1       GLN  44  11.325  -0.437   3.735
  341   1HG   GLN  44          HG2       GLN  44   9.667   0.497   5.076
  342   2HG   GLN  44          HG1       GLN  44  10.037  -1.049   5.834
  343   1HE2  GLN  44          HE21      GLN  44   8.831   1.322   6.990
  344   2HE2  GLN  44          HE22      GLN  44   9.843   1.792   8.308
  345    H    THR  45           HN       THR  45  14.869  -2.235   4.468
  346    HA   THR  45           HA       THR  45  16.405   0.185   4.936
  347    HB   THR  45           HB       THR  45  18.110  -0.998   6.312
  348    HG1  THR  45           HG1      THR  45  17.856  -3.105   6.326
  349   1HG2  THR  45          HG21      THR  45  16.896  -0.864   8.419
  350   2HG2  THR  45          HG22      THR  45  15.359  -0.916   7.555
  351   3HG2  THR  45          HG23      THR  45  16.434   0.470   7.358
  352    H    LEU  46           HN       LEU  46  18.156   0.345   3.646
  353    HA   LEU  46           HA       LEU  46  18.761  -1.958   1.904
  354   1HB   LEU  46          HB2       LEU  46  18.578   0.970   1.342
  355   2HB   LEU  46          HB1       LEU  46  19.739   0.022   0.434
  356    HG   LEU  46           HG       LEU  46  17.910  -1.438  -0.359
  357   1HD1  LEU  46          HD11      LEU  46  16.080   0.521   1.012
  358   2HD1  LEU  46          HD12      LEU  46  16.418  -1.117   1.573
  359   3HD1  LEU  46          HD13      LEU  46  15.605  -0.864   0.028
  360   1HD2  LEU  46          HD21      LEU  46  16.863   0.186  -1.870
  361   2HD2  LEU  46          HD22      LEU  46  18.601   0.461  -1.723
  362   3HD2  LEU  46          HD23      LEU  46  17.466   1.505  -0.864
  363    H    THR  47           HN       THR  47  20.483  -2.883   2.870
  364    HA   THR  47           HA       THR  47  22.733  -1.153   3.667
  365    HB   THR  47           HB       THR  47  22.323  -4.048   4.442
  366    HG1  THR  47           HG1      THR  47  21.902  -2.568   6.540
  367   1HG2  THR  47          HG21      THR  47  24.067  -1.873   5.608
  368   2HG2  THR  47          HG22      THR  47  24.621  -3.221   4.616
  369   3HG2  THR  47          HG23      THR  47  23.932  -3.524   6.212
  370    H    CYS  48           HN       CYS  48  24.867  -1.717   3.006
  371    HA   CYS  48           HA       CYS  48  24.903  -3.063   0.454
  372   1HB   CYS  48          HB2       CYS  48  26.233  -0.986   0.808
  373   2HB   CYS  48          HB1       CYS  48  27.182  -1.825   2.019
  374    H    ASN  49           HN       ASN  49  25.088  -5.181   0.341
  375    HA   ASN  49           HA       ASN  49  26.324  -6.636   2.545
  376   1HB   ASN  49          HB2       ASN  49  25.260  -8.585   1.705
  377   2HB   ASN  49          HB1       ASN  49  24.075  -7.297   1.519
  378   1HD2  ASN  49          HD21      ASN  49  23.969  -9.685   0.125
  379   2HD2  ASN  49          HD22      ASN  49  24.222  -9.365  -1.555
  380    H    SER  50           HN       SER  50  27.572  -8.714   1.658
  381    HA   SER  50           HA       SER  50  29.768  -7.623   0.089
  382   1HB   SER  50          HB2       SER  50  30.306  -8.893   2.113
  383   2HB   SER  50          HB1       SER  50  29.457 -10.304   1.477
  384    HG   SER  50           HG       SER  50  31.986  -9.541   1.054
  385    H    ASP  51           HN       ASP  51  27.901  -7.571  -1.569
  386    HA   ASP  51           HA       ASP  51  28.321  -9.704  -3.536
  387   1HB   ASP  51          HB2       ASP  51  25.597  -8.831  -2.573
  388   2HB   ASP  51          HB1       ASP  51  25.908  -9.887  -3.949
  389    H    GLY  52           HN       GLY  52  28.323  -6.568  -2.730
  390   1HA   GLY  52          HA2       GLY  52  28.273  -4.609  -3.908
  391   2HA   GLY  52          HA1       GLY  52  28.455  -5.600  -5.345
  392    H    GLU  53           HN       GLU  53  25.809  -6.331  -3.427
  393    HA   GLU  53           HA       GLU  53  24.002  -4.619  -5.008
  394   1HB   GLU  53          HB2       GLU  53  22.539  -6.381  -5.449
  395   2HB   GLU  53          HB1       GLU  53  24.124  -7.106  -5.678
  396   1HG   GLU  53          HG2       GLU  53  23.978  -7.998  -3.361
  397   2HG   GLU  53          HG1       GLU  53  22.327  -7.386  -3.285
  398    H    TRP  54           HN       TRP  54  21.972  -4.118  -4.024
  399    HA   TRP  54           HA       TRP  54  22.181  -3.840  -1.159
  400   1HB   TRP  54          HB2       TRP  54  20.060  -2.878  -3.094
  401   2HB   TRP  54          HB1       TRP  54  20.209  -2.403  -1.408
  402    HD1  TRP  54           HD1      TRP  54  21.524  -1.603  -4.837
  403    HE1  TRP  54           HE1      TRP  54  23.209   0.338  -4.688
  404    HE3  TRP  54           HE3      TRP  54  22.062  -1.398   0.232
  405    HZ2  TRP  54           HZ2      TRP  54  24.594   1.765  -2.674
  406    HZ3  TRP  54           HZ3      TRP  54  23.587   0.277   1.196
  407    HH2  TRP  54           HH2      TRP  54  24.825   1.826  -0.229
  408    H    VAL  55           HN       VAL  55  21.494  -5.339   0.130
  409    HA   VAL  55           HA       VAL  55  19.536  -7.339  -0.775
  410    HB   VAL  55           HB       VAL  55  21.894  -7.365   1.033
  411   1HG1  VAL  55          HG11      VAL  55  19.443  -9.015   1.608
  412   2HG1  VAL  55          HG12      VAL  55  20.163  -7.787   2.650
  413   3HG1  VAL  55          HG13      VAL  55  21.040  -9.280   2.312
  414   1HG2  VAL  55          HG21      VAL  55  21.740  -8.461  -1.228
  415   2HG2  VAL  55          HG22      VAL  55  20.622  -9.614  -0.500
  416   3HG2  VAL  55          HG23      VAL  55  22.282  -9.497   0.094
  417    H    TYR  56           HN       TYR  56  17.701  -7.754   0.485
  418    HA   TYR  56           HA       TYR  56  17.276  -6.899   3.042
  419   1HB   TYR  56          HB2       TYR  56  15.791  -4.872   2.701
  420   2HB   TYR  56          HB1       TYR  56  17.504  -4.607   2.396
  421    HD1  TYR  56           HD1      TYR  56  14.202  -5.012   0.805
  422    HD2  TYR  56           HD2      TYR  56  18.295  -4.018   0.216
  423    HE1  TYR  56           HE1      TYR  56  13.662  -4.138  -1.430
  424    HE2  TYR  56           HE2      TYR  56  17.767  -3.142  -2.020
  425    HH   TYR  56           HH       TYR  56  16.024  -3.427  -3.746
  426    H    ASN  57           HN       ASN  57  14.784  -6.591   3.558
  427    HA   ASN  57           HA       ASN  57  13.438  -8.778   2.197
  428   1HB   ASN  57          HB2       ASN  57  12.656  -7.171   4.638
  429   2HB   ASN  57          HB1       ASN  57  11.755  -8.549   4.012
  430   1HD2  ASN  57          HD21      ASN  57  14.648  -7.504   5.621
  431   2HD2  ASN  57          HD22      ASN  57  15.147  -9.064   6.172
  432    H    THR  58           HN       THR  58  11.011  -8.507   1.848
  433    HA   THR  58           HA       THR  58  10.627  -6.125   0.212
  434    HB   THR  58           HB       THR  58   8.685  -8.411   0.469
  435    HG1  THR  58           HG1      THR  58  11.108  -8.776  -0.261
  436   1HG2  THR  58          HG21      THR  58   8.040  -7.735  -1.786
  437   2HG2  THR  58          HG22      THR  58   9.288  -6.487  -1.782
  438   3HG2  THR  58          HG23      THR  58   7.920  -6.372  -0.674
  439    H    PHE  59           HN       PHE  59  10.440  -4.726   2.074
  440    HA   PHE  59           HA       PHE  59   8.647  -4.875   4.132
  441   1HB   PHE  59          HB2       PHE  59   8.543  -2.206   3.590
  442   2HB   PHE  59          HB1       PHE  59   9.853  -2.996   4.458
  443    HD1  PHE  59           HD1      PHE  59  11.955  -3.554   3.286
  444    HD2  PHE  59           HD2      PHE  59   8.881  -1.269   1.437
  445    HE1  PHE  59           HE1      PHE  59  13.561  -2.768   1.598
  446    HE2  PHE  59           HE2      PHE  59  10.480  -0.481  -0.257
  447    HZ   PHE  59           HZ       PHE  59  12.824  -1.230  -0.178
  448    H    CYS  60           HN       CYS  60   7.905  -2.663   1.461
  449    HA   CYS  60           HA       CYS  60   5.097  -3.516   1.665
  450   1HB   CYS  60          HB2       CYS  60   4.653  -1.233   0.602
  451   2HB   CYS  60          HB1       CYS  60   5.196  -1.242   2.276
  452    H    ILE  61           HN       ILE  61   3.844  -3.595  -0.299
  453    HA   ILE  61           HA       ILE  61   5.472  -3.870  -2.724
  454    HB   ILE  61           HB       ILE  61   4.376  -5.884  -3.382
  455   1HG1  ILE  61          HG12      ILE  61   2.744  -5.654  -0.840
  456   2HG1  ILE  61          HG11      ILE  61   2.138  -5.368  -2.469
  457   1HG2  ILE  61          HG21      ILE  61   5.220  -6.066  -0.492
  458   2HG2  ILE  61          HG22      ILE  61   6.283  -6.144  -1.898
  459   3HG2  ILE  61          HG23      ILE  61   5.100  -7.421  -1.616
  460   1HD1  ILE  61          HD11      ILE  61   1.478  -7.554  -1.707
  461   2HD1  ILE  61          HD12      ILE  61   3.156  -7.977  -1.373
  462   3HD1  ILE  61          HD13      ILE  61   2.628  -7.708  -3.034
  463    H    TYR  62           HN       TYR  62   2.631  -2.697  -1.254
  464    HA   TYR  62           HA       TYR  62   0.845  -1.415  -2.088
  465   1HB   TYR  62          HB2       TYR  62   3.022  -0.574  -3.429
  466   2HB   TYR  62          HB1       TYR  62   2.031  -1.159  -4.767
  467    HD1  TYR  62           HD1      TYR  62  -0.637  -0.423  -4.238
  468    HD2  TYR  62           HD2      TYR  62   2.897   1.665  -3.131
  469    HE1  TYR  62           HE1      TYR  62  -1.921   1.672  -4.111
  470    HE2  TYR  62           HE2      TYR  62   1.633   3.764  -3.000
  471    HH   TYR  62           HH       TYR  62  -0.325   4.764  -3.551
  472    H    LYS  63           HN       LYS  63  -0.973  -2.268  -2.409
  473    HA   LYS  63           HA       LYS  63  -1.744  -3.503  -4.845
  474   1HB   LYS  63          HB2       LYS  63  -2.366  -5.713  -3.816
  475   2HB   LYS  63          HB1       LYS  63  -0.638  -5.458  -4.025
  476   1HG   LYS  63          HG2       LYS  63  -0.353  -4.987  -1.713
  477   2HG   LYS  63          HG1       LYS  63  -2.093  -4.958  -1.442
  478   1HD   LYS  63          HD2       LYS  63  -2.292  -7.240  -1.573
  479   2HD   LYS  63          HD1       LYS  63  -0.839  -7.420  -2.552
  480   1HE   LYS  63          HE2       LYS  63  -0.050  -8.196  -0.554
  481   2HE   LYS  63          HE1       LYS  63   0.317  -6.483  -0.350
  482   1HZ   LYS  63          HZ1       LYS  63  -2.013  -7.957   0.752
  483   2HZ   LYS  63          HZ2       LYS  63  -1.850  -6.275   0.809
  484   3HZ   LYS  63          HZ3       LYS  63  -0.736  -7.259   1.617
  485    H    ARG  64           HN       ARG  64  -3.455  -2.112  -4.839
  486    HA   ARG  64           HA       ARG  64  -5.199  -2.014  -2.509
  487   1HB   ARG  64          HB2       ARG  64  -6.437  -0.272  -3.790
  488   2HB   ARG  64          HB1       ARG  64  -4.749   0.126  -3.509
  489   1HG   ARG  64          HG2       ARG  64  -5.506  -1.204  -6.062
  490   2HG   ARG  64          HG1       ARG  64  -5.864   0.510  -5.845
  491   1HD   ARG  64          HD2       ARG  64  -3.491   0.899  -5.279
  492   2HD   ARG  64          HD1       ARG  64  -3.160  -0.802  -5.613
  493    HE   ARG  64           HE       ARG  64  -4.387   0.237  -7.872
  494   1HH1  ARG  64          HH11      ARG  64  -1.455   0.756  -6.062
  495   2HH1  ARG  64          HH12      ARG  64  -0.543   1.274  -7.439
  496   1HH2  ARG  64          HH21      ARG  64  -3.194   0.918  -9.692
  497   2HH2  ARG  64          HH22      ARG  64  -1.532   1.366  -9.504
  498    H    CYS  65           HN       CYS  65  -7.673  -1.647  -3.587
  499    HA   CYS  65           HA       CYS  65  -8.191  -4.205  -4.956
  500   1HB   CYS  65          HB2       CYS  65 -10.135  -2.810  -3.117
  501   2HB   CYS  65          HB1       CYS  65 -10.200  -4.465  -3.712
  502    H    ARG  66           HN       ARG  66  -9.866  -4.192  -6.546
  503    HA   ARG  66           HA       ARG  66  -9.960  -1.871  -8.076
  504   1HB   ARG  66          HB2       ARG  66 -10.427  -3.995  -9.112
  505   2HB   ARG  66          HB1       ARG  66 -11.826  -4.253  -8.079
  506   1HG   ARG  66          HG2       ARG  66 -12.484  -3.610 -10.329
  507   2HG   ARG  66          HG1       ARG  66 -12.962  -2.382  -9.155
  508   1HD   ARG  66          HD2       ARG  66 -12.033  -1.323 -11.122
  509   2HD   ARG  66          HD1       ARG  66 -10.969  -1.077  -9.739
  510    HE   ARG  66           HE       ARG  66 -10.198  -3.360 -11.244
  511   1HH1  ARG  66          HH11      ARG  66 -10.076   0.124 -11.212
  512   2HH1  ARG  66          HH12      ARG  66  -8.622   0.210 -12.148
  513   1HH2  ARG  66          HH21      ARG  66  -8.281  -3.253 -12.475
  514   2HH2  ARG  66          HH22      ARG  66  -7.604  -1.708 -12.868
  515    H    HIS  67           HN       HIS  67 -11.399  -0.217  -8.280
  516    HA   HIS  67           HA       HIS  67 -12.610   0.818  -6.048
  517   1HB   HIS  67          HB2       HIS  67 -12.148   2.054  -8.169
  518   2HB   HIS  67          HB1       HIS  67 -13.547   1.263  -8.890
  519    HD1  HIS  67           HD1      HIS  67 -15.829   2.231  -8.381
  520    HD2  HIS  67           HD2      HIS  67 -12.791   3.949  -6.129
  521    HE1  HIS  67           HE1      HIS  67 -16.875   4.215  -7.246
  522    HE2  HIS  67           HE2      HIS  67 -15.037   5.199  -5.833
  523    HA   PRO  68           HA       PRO  68 -16.094  -1.824  -5.059
  524   1HB   PRO  68          HB2       PRO  68 -17.583   0.396  -4.166
  525   2HB   PRO  68          HB1       PRO  68 -16.653  -0.732  -3.184
  526   1HG   PRO  68          HG2       PRO  68 -15.911   1.963  -4.178
  527   2HG   PRO  68          HG1       PRO  68 -15.412   1.131  -2.694
  528   1HD   PRO  68          HD2       PRO  68 -13.729   1.401  -4.754
  529   2HD   PRO  68          HD1       PRO  68 -13.764  -0.099  -3.798
  530    H    GLY  69           HN       GLY  69 -16.445   1.293  -6.675
  531   1HA   GLY  69          HA2       GLY  69 -17.527   1.370  -8.858
  532   2HA   GLY  69          HA1       GLY  69 -18.672   0.174  -8.257
  533    H    GLU  70           HN       GLU  70 -19.953   2.113  -9.258
  534    HA   GLU  70           HA       GLU  70 -20.355   4.311  -7.412
  535   1HB   GLU  70          HB2       GLU  70 -20.514   4.716  -9.854
  536   2HB   GLU  70          HB1       GLU  70 -21.859   3.587  -9.940
  537   1HG   GLU  70          HG2       GLU  70 -23.146   5.054  -8.430
  538   2HG   GLU  70          HG1       GLU  70 -21.810   6.206  -8.458
  539    H    LEU  71           HN       LEU  71 -21.811   4.532  -5.932
  540    HA   LEU  71           HA       LEU  71 -23.573   2.267  -5.376
  541   1HB   LEU  71          HB2       LEU  71 -22.020   3.639  -3.700
  542   2HB   LEU  71          HB1       LEU  71 -23.411   4.699  -3.642
  543    HG   LEU  71           HG       LEU  71 -23.315   1.797  -2.819
  544   1HD1  LEU  71          HD11      LEU  71 -23.793   2.641  -0.611
  545   2HD1  LEU  71          HD12      LEU  71 -23.868   4.292  -1.227
  546   3HD1  LEU  71          HD13      LEU  71 -22.338   3.412  -1.243
  547   1HD2  LEU  71          HD21      LEU  71 -25.450   2.195  -3.872
  548   2HD2  LEU  71          HD22      LEU  71 -25.669   3.674  -2.937
  549   3HD2  LEU  71          HD23      LEU  71 -25.662   2.108  -2.122
  550    H    ARG  72           HN       ARG  72 -25.289   2.527  -6.847
  551    HA   ARG  72           HA       ARG  72 -26.473   5.051  -7.356
  552   1HB   ARG  72          HB2       ARG  72 -26.881   3.231  -8.935
  553   2HB   ARG  72          HB1       ARG  72 -27.593   2.242  -7.667
  554   1HG   ARG  72          HG2       ARG  72 -29.480   3.747  -7.506
  555   2HG   ARG  72          HG1       ARG  72 -28.757   4.818  -8.708
  556   1HD   ARG  72          HD2       ARG  72 -30.500   3.369  -9.668
  557   2HD   ARG  72          HD1       ARG  72 -28.918   3.091 -10.395
  558    HE   ARG  72           HE       ARG  72 -29.335   1.293  -8.256
  559   1HH1  ARG  72          HH11      ARG  72 -30.372   1.923 -11.521
  560   2HH1  ARG  72          HH12      ARG  72 -30.705   0.261 -11.874
  561   1HH2  ARG  72          HH21      ARG  72 -29.771  -0.902  -8.712
  562   2HH2  ARG  72          HH22      ARG  72 -30.364  -1.345 -10.278
  563    H    ASN  73           HN       ASN  73 -27.723   6.252  -6.259
  564    HA   ASN  73           HA       ASN  73 -28.932   7.085  -4.521
  565   1HB   ASN  73          HB2       ASN  73 -29.761   4.253  -3.845
  566   2HB   ASN  73          HB1       ASN  73 -30.649   5.742  -3.540
  567   1HD2  ASN  73          HD21      ASN  73 -29.934   6.708  -6.265
  568   2HD2  ASN  73          HD22      ASN  73 -31.018   5.884  -7.326
  569    H    GLY  74           HN       GLY  74 -26.315   6.859  -4.103
  570   1HA   GLY  74          HA2       GLY  74 -26.057   6.548  -1.340
  571   2HA   GLY  74          HA1       GLY  74 -25.418   5.109  -2.112
  572    H    GLN  75           HN       GLN  75 -23.597   6.238  -0.735
  573    HA   GLN  75           HA       GLN  75 -21.860   7.525  -2.684
  574   1HB   GLN  75          HB2       GLN  75 -22.855   9.434  -1.583
  575   2HB   GLN  75          HB1       GLN  75 -22.498   8.757  -0.001
  576   1HG   GLN  75          HG2       GLN  75 -20.104   8.965  -0.459
  577   2HG   GLN  75          HG1       GLN  75 -20.473   9.664  -2.035
  578   1HE2  GLN  75          HE21      GLN  75 -20.481  10.170   1.402
  579   2HE2  GLN  75          HE22      GLN  75 -20.724  11.880   1.355
  580    H    VAL  76           HN       VAL  76 -20.873   5.408  -2.551
  581    HA   VAL  76           HA       VAL  76 -19.876   4.165  -0.349
  582    HB   VAL  76           HB       VAL  76 -19.559   2.884  -2.175
  583   1HG1  VAL  76          HG11      VAL  76 -18.380   5.220  -3.653
  584   2HG1  VAL  76          HG12      VAL  76 -20.047   4.655  -3.764
  585   3HG1  VAL  76          HG13      VAL  76 -18.730   3.624  -4.317
  586   1HG2  VAL  76          HG21      VAL  76 -16.857   4.173  -1.859
  587   2HG2  VAL  76          HG22      VAL  76 -17.163   2.643  -2.681
  588   3HG2  VAL  76          HG23      VAL  76 -17.482   2.796  -0.953
  589    H    GLU  77           HN       GLU  77 -18.466   4.771   1.214
  590    HA   GLU  77           HA       GLU  77 -17.071   7.224   1.138
  591   1HB   GLU  77          HB2       GLU  77 -17.778   6.262   3.243
  592   2HB   GLU  77          HB1       GLU  77 -16.762   4.851   2.981
  593   1HG   GLU  77          HG2       GLU  77 -14.771   6.285   3.089
  594   2HG   GLU  77          HG1       GLU  77 -15.809   7.676   3.403
  595    H    ILE  78           HN       ILE  78 -15.580   7.439  -0.495
  596    HA   ILE  78           HA       ILE  78 -13.184   5.762  -0.246
  597    HB   ILE  78           HB       ILE  78 -14.446   6.475  -2.896
  598   1HG1  ILE  78          HG12      ILE  78 -15.475   4.556  -1.642
  599   2HG1  ILE  78          HG11      ILE  78 -14.789   4.121  -3.204
  600   1HG2  ILE  78          HG21      ILE  78 -12.553   5.072  -3.801
  601   2HG2  ILE  78          HG22      ILE  78 -11.814   5.182  -2.200
  602   3HG2  ILE  78          HG23      ILE  78 -12.093   6.645  -3.147
  603   1HD1  ILE  78          HD11      ILE  78 -13.483   3.677  -0.533
  604   2HD1  ILE  78          HD12      ILE  78 -12.822   3.218  -2.103
  605   3HD1  ILE  78          HD13      ILE  78 -14.296   2.453  -1.508
  606    H    LYS  79           HN       LYS  79 -11.259   6.727  -0.825
  607    HA   LYS  79           HA       LYS  79 -10.919   9.280  -1.950
  608   1HB   LYS  79          HB2       LYS  79 -10.200  10.504   0.074
  609   2HB   LYS  79          HB1       LYS  79 -11.922  10.142   0.097
  610   1HG   LYS  79          HG2       LYS  79  -9.782   8.634   1.597
  611   2HG   LYS  79          HG1       LYS  79 -10.858   9.844   2.288
  612   1HD   LYS  79          HD2       LYS  79 -12.766   8.345   1.521
  613   2HD   LYS  79          HD1       LYS  79 -11.531   7.103   1.247
  614   1HE   LYS  79          HE2       LYS  79 -12.046   6.594   3.390
  615   2HE   LYS  79          HE1       LYS  79 -10.839   7.831   3.711
  616   1HZ   LYS  79          HZ1       LYS  79 -12.801   8.194   5.050
  617   2HZ   LYS  79          HZ2       LYS  79 -13.779   8.245   3.672
  618   3HZ   LYS  79          HZ3       LYS  79 -12.626   9.455   3.935
  619    H    THR  80           HN       THR  80  -9.714   6.918  -2.422
  620    HA   THR  80           HA       THR  80  -7.580   6.132  -2.807
  621    HB   THR  80           HB       THR  80  -6.856   8.579  -1.895
  622    HG1  THR  80           HG1      THR  80  -5.571   7.464  -3.337
  623   1HG2  THR  80          HG21      THR  80  -6.132   6.561   0.201
  624   2HG2  THR  80          HG22      THR  80  -6.869   8.157   0.406
  625   3HG2  THR  80          HG23      THR  80  -5.164   8.020  -0.044
  626    H    ASP  81           HN       ASP  81  -9.246   6.466   0.067
  627    HA   ASP  81           HA       ASP  81  -8.064   4.960   1.999
  628   1HB   ASP  81          HB2       ASP  81 -10.249   6.121   2.141
  629   2HB   ASP  81          HB1       ASP  81 -10.969   4.793   1.239
  630    H    LEU  82           HN       LEU  82  -9.121   3.957  -1.077
  631    HA   LEU  82           HA       LEU  82  -9.826   1.307  -0.568
  632   1HB   LEU  82          HB2       LEU  82 -10.084   2.914  -2.661
  633   2HB   LEU  82          HB1       LEU  82  -8.619   2.096  -3.165
  634    HG   LEU  82           HG       LEU  82  -9.749  -0.047  -3.127
  635   1HD1  LEU  82          HD11      LEU  82 -12.170   1.502  -2.218
  636   2HD1  LEU  82          HD12      LEU  82 -11.252   0.346  -1.252
  637   3HD1  LEU  82          HD13      LEU  82 -12.148  -0.202  -2.670
  638   1HD2  LEU  82          HD21      LEU  82 -11.312   2.085  -4.574
  639   2HD2  LEU  82          HD22      LEU  82 -11.377   0.358  -4.925
  640   3HD2  LEU  82          HD23      LEU  82  -9.875   1.251  -5.168
  641    H    SER  83           HN       SER  83  -7.126   2.341   0.461
  642    HA   SER  83           HA       SER  83  -5.213   0.645  -0.863
  643   1HB   SER  83          HB2       SER  83  -5.054   2.182   1.744
  644   2HB   SER  83          HB1       SER  83  -3.698   1.346   0.986
  645    HG   SER  83           HG       SER  83  -4.232   2.736  -0.902
  646    H    PHE  84           HN       PHE  84  -4.767  -1.448  -0.390
  647    HA   PHE  84           HA       PHE  84  -6.365  -3.143   0.974
  648   1HB   PHE  84          HB2       PHE  84  -4.633  -4.119  -0.296
  649   2HB   PHE  84          HB1       PHE  84  -3.382  -3.249   0.584
  650    HD1  PHE  84           HD1      PHE  84  -5.916  -5.933   0.924
  651    HD2  PHE  84           HD2      PHE  84  -2.338  -4.200   2.443
  652    HE1  PHE  84           HE1      PHE  84  -5.614  -7.868   2.414
  653    HE2  PHE  84           HE2      PHE  84  -2.029  -6.133   3.933
  654    HZ   PHE  84           HZ       PHE  84  -3.669  -7.971   3.920
  655    H    GLY  85           HN       GLY  85  -6.715  -3.832   3.052
  656   1HA   GLY  85          HA2       GLY  85  -6.371  -4.008   5.346
  657   2HA   GLY  85          HA1       GLY  85  -4.952  -2.981   5.189
  658    H    SER  86           HN       SER  86  -7.985  -2.015   3.776
  659    HA   SER  86           HA       SER  86  -8.404  -0.142   5.997
  660   1HB   SER  86          HB2       SER  86  -8.494   0.559   3.061
  661   2HB   SER  86          HB1       SER  86  -8.962   1.639   4.376
  662    HG   SER  86           HG       SER  86  -6.507   0.591   4.806
  663    H    GLN  87           HN       GLN  87 -10.483   0.911   5.966
  664    HA   GLN  87           HA       GLN  87 -12.599  -0.929   5.052
  665   1HB   GLN  87          HB2       GLN  87 -12.742  -1.155   7.347
  666   2HB   GLN  87          HB1       GLN  87 -12.192   0.485   7.652
  667   1HG   GLN  87          HG2       GLN  87 -14.839   0.118   6.360
  668   2HG   GLN  87          HG1       GLN  87 -14.684  -0.254   8.077
  669   1HE2  GLN  87          HE21      GLN  87 -14.697   2.217   5.673
  670   2HE2  GLN  87          HE22      GLN  87 -14.671   3.567   6.748
  671    H    ILE  88           HN       ILE  88 -14.277  -0.078   3.924
  672    HA   ILE  88           HA       ILE  88 -14.399   2.857   3.659
  673    HB   ILE  88           HB       ILE  88 -15.159   2.533   1.309
  674   1HG1  ILE  88          HG12      ILE  88 -13.972  -0.224   1.432
  675   2HG1  ILE  88          HG11      ILE  88 -15.683   0.030   1.766
  676   1HG2  ILE  88          HG21      ILE  88 -12.910   2.102   0.393
  677   2HG2  ILE  88          HG22      ILE  88 -12.394   1.557   1.990
  678   3HG2  ILE  88          HG23      ILE  88 -12.899   3.230   1.749
  679   1HD1  ILE  88          HD11      ILE  88 -15.231  -0.623  -0.562
  680   2HD1  ILE  88          HD12      ILE  88 -14.294   0.858  -0.770
  681   3HD1  ILE  88          HD13      ILE  88 -16.022   0.948  -0.429
  682    H    GLU  89           HN       GLU  89 -16.185   3.456   4.701
  683    HA   GLU  89           HA       GLU  89 -18.470   1.768   4.968
  684   1HB   GLU  89          HB2       GLU  89 -18.575   4.730   5.424
  685   2HB   GLU  89          HB1       GLU  89 -19.401   3.445   6.294
  686   1HG   GLU  89          HG2       GLU  89 -17.233   2.747   7.243
  687   2HG   GLU  89          HG1       GLU  89 -16.480   4.122   6.434
  688    H    PHE  90           HN       PHE  90 -20.658   3.245   4.558
  689    HA   PHE  90           HA       PHE  90 -20.587   4.317   1.858
  690   1HB   PHE  90          HB2       PHE  90 -22.379   2.004   2.637
  691   2HB   PHE  90          HB1       PHE  90 -22.451   2.876   1.111
  692    HD1  PHE  90           HD1      PHE  90 -20.710   2.586  -0.580
  693    HD2  PHE  90           HD2      PHE  90 -20.634   0.401   3.084
  694    HE1  PHE  90           HE1      PHE  90 -19.072   1.033  -1.545
  695    HE2  PHE  90           HE2      PHE  90 -18.993  -1.155   2.116
  696    HZ   PHE  90           HZ       PHE  90 -18.209  -0.842  -0.197
  697    H    SER  91           HN       SER  91 -23.168   4.782   1.330
  698    HA   SER  91           HA       SER  91 -24.612   5.641   3.656
  699   1HB   SER  91          HB2       SER  91 -24.596   8.075   3.021
  700   2HB   SER  91          HB1       SER  91 -23.075   7.466   3.675
  701    HG   SER  91           HG       SER  91 -22.737   8.727   1.805
  702    H    CYS  92           HN       CYS  92 -26.598   5.102   3.128
  703    HA   CYS  92           HA       CYS  92 -27.442   5.371   0.353
  704   1HB   CYS  92          HB2       CYS  92 -27.930   3.310   1.860
  705   2HB   CYS  92          HB1       CYS  92 -29.228   4.299   2.526
  706    H    SER  93           HN       SER  93 -28.437   7.078  -0.361
  707    HA   SER  93           HA       SER  93 -28.871   9.423   0.927
  708   1HB   SER  93          HB2       SER  93 -30.202   8.225  -1.477
  709   2HB   SER  93          HB1       SER  93 -30.661   9.829  -0.901
  710    HG   SER  93           HG       SER  93 -28.595   9.179  -2.410
  711    H    GLU  94           HN       GLU  94 -30.938  10.626   1.174
  712    HA   GLU  94           HA       GLU  94 -32.415   9.783   3.334
  713   1HB   GLU  94          HB2       GLU  94 -32.458  12.077   2.791
  714   2HB   GLU  94          HB1       GLU  94 -32.996  11.765   1.148
  715   1HG   GLU  94          HG2       GLU  94 -35.167  11.048   1.991
  716   2HG   GLU  94          HG1       GLU  94 -34.630  11.370   3.640
  717    H    GLY  95           HN       GLY  95 -34.590   9.074   3.583
  718   1HA   GLY  95          HA2       GLY  95 -36.453   7.810   3.097
  719   2HA   GLY  95          HA1       GLY  95 -36.153   8.128   1.393
  720    H    PHE  96           HN       PHE  96 -33.392   7.047   1.659
  721    HA   PHE  96           HA       PHE  96 -34.096   4.218   1.313
  722   1HB   PHE  96          HB2       PHE  96 -31.917   6.009   0.297
  723   2HB   PHE  96          HB1       PHE  96 -31.666   4.272   0.371
  724    HD1  PHE  96           HD1      PHE  96 -34.340   6.605  -0.789
  725    HD2  PHE  96           HD2      PHE  96 -31.994   3.138  -1.552
  726    HE1  PHE  96           HE1      PHE  96 -35.452   6.341  -2.967
  727    HE2  PHE  96           HE2      PHE  96 -33.108   2.862  -3.733
  728    HZ   PHE  96           HZ       PHE  96 -34.838   4.465  -4.442
  729    H    PHE  97           HN       PHE  97 -32.138   2.762   1.925
  730    HA   PHE  97           HA       PHE  97 -30.606   3.688   4.187
  731   1HB   PHE  97          HB2       PHE  97 -31.439   2.156   5.814
  732   2HB   PHE  97          HB1       PHE  97 -32.823   3.006   5.151
  733    HD1  PHE  97           HD1      PHE  97 -31.396  -0.160   5.874
  734    HD2  PHE  97           HD2      PHE  97 -34.167   1.824   3.325
  735    HE1  PHE  97           HE1      PHE  97 -32.510  -2.306   5.418
  736    HE2  PHE  97           HE2      PHE  97 -35.281  -0.319   2.859
  737    HZ   PHE  97           HZ       PHE  97 -34.455  -2.388   3.910
  738    H    LEU  98           HN       LEU  98 -29.064   2.115   4.940
  739    HA   LEU  98           HA       LEU  98 -27.957   0.693   2.676
  740   1HB   LEU  98          HB2       LEU  98 -26.663   2.185   4.272
  741   2HB   LEU  98          HB1       LEU  98 -26.779   0.873   5.430
  742    HG   LEU  98           HG       LEU  98 -25.659   0.361   2.700
  743   1HD1  LEU  98          HD11      LEU  98 -24.466   2.305   3.532
  744   2HD1  LEU  98          HD12      LEU  98 -23.431   0.877   3.545
  745   3HD1  LEU  98          HD13      LEU  98 -24.136   1.469   5.049
  746   1HD2  LEU  98          HD21      LEU  98 -26.162  -1.536   4.147
  747   2HD2  LEU  98          HD22      LEU  98 -25.148  -0.847   5.413
  748   3HD2  LEU  98          HD23      LEU  98 -24.425  -1.371   3.893
  749    H    ILE  99           HN       ILE  99 -27.698  -1.447   2.470
  750    HA   ILE  99           HA       ILE  99 -28.163  -3.314   4.644
  751    HB   ILE  99           HB       ILE  99 -29.696  -4.191   2.373
  752   1HG1  ILE  99          HG12      ILE  99 -30.890  -1.784   3.691
  753   2HG1  ILE  99          HG11      ILE  99 -29.888  -1.614   2.259
  754   1HG2  ILE  99          HG21      ILE  99 -30.487  -3.586   5.217
  755   2HG2  ILE  99          HG22      ILE  99 -29.858  -5.121   4.616
  756   3HG2  ILE  99          HG23      ILE  99 -31.426  -4.533   4.060
  757   1HD1  ILE  99          HD11      ILE  99 -31.403  -3.045   1.011
  758   2HD1  ILE  99          HD12      ILE  99 -32.244  -1.650   1.691
  759   3HD1  ILE  99          HD13      ILE  99 -32.411  -3.237   2.446
  760    H    GLY 100           HN       GLY 100 -26.412  -4.437   4.431
  761   1HA   GLY 100          HA2       GLY 100 -25.841  -6.368   2.621
  762   2HA   GLY 100          HA1       GLY 100 -25.115  -4.927   1.908
  763    H    SER 101           HN       SER 101 -24.020  -3.573   3.729
  764    HA   SER 101           HA       SER 101 -22.729  -4.579   5.920
  765   1HB   SER 101          HB2       SER 101 -21.742  -6.270   4.345
  766   2HB   SER 101          HB1       SER 101 -21.007  -4.942   3.447
  767    HG   SER 101           HG       SER 101 -20.108  -4.389   5.656
  768    H    THR 102           HN       THR 102 -22.652  -2.498   6.711
  769    HA   THR 102           HA       THR 102 -22.267  -0.246   5.058
  770    HB   THR 102           HB       THR 102 -22.056   1.046   7.143
  771    HG1  THR 102           HG1      THR 102 -22.103  -1.515   8.400
  772   1HG2  THR 102          HG21      THR 102 -24.236  -1.044   7.216
  773   2HG2  THR 102          HG22      THR 102 -24.301   0.515   6.393
  774   3HG2  THR 102          HG23      THR 102 -24.233   0.449   8.154
  775    H    THR 103           HN       THR 103 -20.112  -2.505   6.319
  776    HA   THR 103           HA       THR 103 -17.877  -0.646   5.896
  777    HB   THR 103           HB       THR 103 -16.541  -2.159   7.299
  778    HG1  THR 103           HG1      THR 103 -17.750  -4.074   7.068
  779   1HG2  THR 103          HG21      THR 103 -19.040  -1.162   8.649
  780   2HG2  THR 103          HG22      THR 103 -17.633  -0.177   8.251
  781   3HG2  THR 103          HG23      THR 103 -17.491  -1.482   9.431
  782    H    SER 104           HN       SER 104 -16.019  -1.465   4.786
  783    HA   SER 104           HA       SER 104 -16.254  -4.048   3.490
  784   1HB   SER 104          HB2       SER 104 -16.088  -1.421   2.000
  785   2HB   SER 104          HB1       SER 104 -15.645  -2.964   1.270
  786    HG   SER 104           HG       SER 104 -17.832  -2.362   0.860
  787    H    ARG 105           HN       ARG 105 -14.401  -4.992   3.909
  788    HA   ARG 105           HA       ARG 105 -12.000  -3.363   4.363
  789   1HB   ARG 105          HB2       ARG 105 -12.505  -6.262   5.054
  790   2HB   ARG 105          HB1       ARG 105 -11.096  -5.317   5.514
  791   1HG   ARG 105          HG2       ARG 105 -12.536  -3.835   6.837
  792   2HG   ARG 105          HG1       ARG 105 -13.932  -4.823   6.398
  793   1HD   ARG 105          HD2       ARG 105 -13.074  -5.396   8.620
  794   2HD   ARG 105          HD1       ARG 105 -12.947  -6.750   7.497
  795    HE   ARG 105           HE       ARG 105 -10.570  -5.124   7.705
  796   1HH1  ARG 105          HH11      ARG 105 -12.307  -7.890   8.921
  797   2HH1  ARG 105          HH12      ARG 105 -10.895  -8.651   9.574
  798   1HH2  ARG 105          HH21      ARG 105  -8.706  -6.120   8.562
  799   2HH2  ARG 105          HH22      ARG 105  -8.850  -7.644   9.372
  800    H    CYS 106           HN       CYS 106 -10.007  -3.905   3.455
  801    HA   CYS 106           HA       CYS 106 -10.221  -5.261   0.868
  802   1HB   CYS 106          HB2       CYS 106  -8.748  -2.935   1.862
  803   2HB   CYS 106          HB1       CYS 106  -7.745  -4.040   0.927
  804    H    GLU 107           HN       GLU 107  -9.476  -7.257   0.744
  805    HA   GLU 107           HA       GLU 107  -7.296  -8.064   2.550
  806   1HB   GLU 107          HB2       GLU 107  -9.616  -9.038   2.959
  807   2HB   GLU 107          HB1       GLU 107  -9.411  -9.907   1.443
  808   1HG   GLU 107          HG2       GLU 107  -8.871 -11.299   3.369
  809   2HG   GLU 107          HG1       GLU 107  -7.471 -11.055   2.324
  810    H    VAL 108           HN       VAL 108  -6.378 -10.280   1.593
  811    HA   VAL 108           HA       VAL 108  -6.024  -9.951  -1.304
  812    HB   VAL 108           HB       VAL 108  -3.807 -10.112   0.714
  813   1HG1  VAL 108          HG11      VAL 108  -3.428 -11.767  -1.120
  814   2HG1  VAL 108          HG12      VAL 108  -2.231 -10.473  -1.066
  815   3HG1  VAL 108          HG13      VAL 108  -3.517 -10.432  -2.274
  816   1HG2  VAL 108          HG21      VAL 108  -4.897  -7.937  -0.129
  817   2HG2  VAL 108          HG22      VAL 108  -4.045  -8.277  -1.639
  818   3HG2  VAL 108          HG23      VAL 108  -3.137  -8.058  -0.141
  819    H    GLN 109           HN       GLN 109  -6.135 -11.654  -2.453
  820    HA   GLN 109           HA       GLN 109  -5.724 -14.304  -1.229
  821   1HB   GLN 109          HB2       GLN 109  -7.718 -13.574  -3.384
  822   2HB   GLN 109          HB1       GLN 109  -7.503 -15.166  -2.669
  823   1HG   GLN 109          HG2       GLN 109  -8.286 -14.376  -0.542
  824   2HG   GLN 109          HG1       GLN 109  -8.348 -12.718  -1.138
  825   1HE2  GLN 109          HE21      GLN 109 -10.522 -12.503  -0.674
  826   2HE2  GLN 109          HE22      GLN 109 -11.751 -13.291  -1.597
  827    H    ASP 110           HN       ASP 110  -4.491 -15.742  -2.351
  828    HA   ASP 110           HA       ASP 110  -3.002 -16.537  -3.866
  829   1HB   ASP 110          HB2       ASP 110  -4.715 -14.861  -5.680
  830   2HB   ASP 110          HB1       ASP 110  -3.364 -15.814  -6.287
  831    H    ARG 111           HN       ARG 111  -3.336 -13.430  -5.470
  832    HA   ARG 111           HA       ARG 111  -1.142 -12.173  -4.222
  833   1HB   ARG 111          HB2       ARG 111   0.533 -12.334  -5.934
  834   2HB   ARG 111          HB1       ARG 111   0.040 -13.962  -5.488
  835   1HG   ARG 111          HG2       ARG 111  -1.368 -14.097  -7.466
  836   2HG   ARG 111          HG1       ARG 111  -0.907 -12.453  -7.913
  837   1HD   ARG 111          HD2       ARG 111   1.429 -13.160  -8.095
  838   2HD   ARG 111          HD1       ARG 111   0.965 -14.803  -7.654
  839    HE   ARG 111           HE       ARG 111  -0.458 -13.824  -9.935
  840   1HH1  ARG 111          HH11      ARG 111   2.518 -15.287  -8.867
  841   2HH1  ARG 111          HH12      ARG 111   2.865 -16.010 -10.402
  842   1HH2  ARG 111          HH21      ARG 111  -0.011 -14.772 -11.960
  843   2HH2  ARG 111          HH22      ARG 111   1.427 -15.716 -12.161
  844    H    GLY 112           HN       GLY 112  -3.909 -11.919  -5.641
  845   1HA   GLY 112          HA2       GLY 112  -3.232  -9.383  -6.996
  846   2HA   GLY 112          HA1       GLY 112  -4.495 -10.453  -7.587
  847    H    VAL 113           HN       VAL 113  -4.060 -10.063  -4.213
  848    HA   VAL 113           HA       VAL 113  -5.431  -9.383  -2.569
  849    HB   VAL 113           HB       VAL 113  -4.841  -7.252  -2.435
  850   1HG1  VAL 113          HG11      VAL 113  -5.191  -6.914  -5.402
  851   2HG1  VAL 113          HG12      VAL 113  -3.698  -7.405  -4.593
  852   3HG1  VAL 113          HG13      VAL 113  -4.374  -5.798  -4.305
  853   1HG2  VAL 113          HG21      VAL 113  -7.346  -6.764  -4.024
  854   2HG2  VAL 113          HG22      VAL 113  -6.478  -5.552  -3.081
  855   3HG2  VAL 113          HG23      VAL 113  -7.216  -6.936  -2.272
  856    H    GLY 114           HN       GLY 114  -7.541  -9.384  -1.794
  857   1HA   GLY 114          HA2       GLY 114  -9.537  -9.737  -3.928
  858   2HA   GLY 114          HA1       GLY 114  -9.499 -10.711  -2.468
  859    H    TRP 115           HN       TRP 115 -11.608  -8.966  -3.605
  860    HA   TRP 115           HA       TRP 115 -11.894  -6.947  -1.518
  861   1HB   TRP 115          HB2       TRP 115 -12.695  -7.057  -4.238
  862   2HB   TRP 115          HB1       TRP 115 -14.161  -7.062  -3.276
  863    HD1  TRP 115           HD1      TRP 115 -12.486  -4.666  -5.107
  864    HE1  TRP 115           HE1      TRP 115 -12.507  -2.319  -4.053
  865    HE3  TRP 115           HE3      TRP 115 -13.718  -5.930  -0.305
  866    HZ2  TRP 115           HZ2      TRP 115 -12.981  -1.158  -1.534
  867    HZ3  TRP 115           HZ3      TRP 115 -13.933  -4.135   1.365
  868    HH2  TRP 115           HH2      TRP 115 -13.571  -1.801   0.759
  869    H    SER 116           HN       SER 116 -13.266  -7.201   0.170
  870    HA   SER 116           HA       SER 116 -14.465  -9.714   0.668
  871   1HB   SER 116          HB2       SER 116 -13.720  -8.192   2.473
  872   2HB   SER 116          HB1       SER 116 -15.001  -7.062   2.036
  873    HG   SER 116           HG       SER 116 -15.265  -8.849   3.785
  874    H    HIS 117           HN       HIS 117 -15.796  -6.563  -0.268
  875    HA   HIS 117           HA       HIS 117 -17.828  -7.590  -1.886
  876   1HB   HIS 117          HB2       HIS 117 -19.739  -6.702  -0.264
  877   2HB   HIS 117          HB1       HIS 117 -19.180  -8.370  -0.204
  878    HD1  HIS 117           HD1      HIS 117 -18.131  -5.117   1.496
  879    HD2  HIS 117           HD2      HIS 117 -18.772  -9.134   2.337
  880    HE1  HIS 117           HE1      HIS 117 -17.670  -5.372   3.954
  881    HE2  HIS 117           HE2      HIS 117 -17.994  -7.826   4.426
  882    HA   PRO 118           HA       PRO 118 -17.584  -3.309  -3.009
  883   1HB   PRO 118          HB2       PRO 118 -19.944  -3.700  -4.685
  884   2HB   PRO 118          HB1       PRO 118 -18.270  -3.418  -5.169
  885   1HG   PRO 118          HG2       PRO 118 -19.514  -5.792  -5.546
  886   2HG   PRO 118          HG1       PRO 118 -17.772  -5.661  -5.239
  887   1HD   PRO 118          HD2       PRO 118 -19.983  -6.365  -3.341
  888   2HD   PRO 118          HD1       PRO 118 -18.377  -7.106  -3.520
  889    H    LEU 119           HN       LEU 119 -20.012  -1.944  -3.932
  890    HA   LEU 119           HA       LEU 119 -20.891  -0.876  -1.492
  891   1HB   LEU 119          HB2       LEU 119 -22.796   0.010  -3.101
  892   2HB   LEU 119          HB1       LEU 119 -21.183   0.681  -3.100
  893    HG   LEU 119           HG       LEU 119 -22.292   0.230  -5.352
  894   1HD1  LEU 119          HD11      LEU 119 -20.189  -0.384  -6.385
  895   2HD1  LEU 119          HD12      LEU 119 -19.569  -0.924  -4.824
  896   3HD1  LEU 119          HD13      LEU 119 -19.940   0.782  -5.085
  897   1HD2  LEU 119          HD21      LEU 119 -23.135  -2.012  -4.851
  898   2HD2  LEU 119          HD22      LEU 119 -21.473  -2.594  -4.723
  899   3HD2  LEU 119          HD23      LEU 119 -22.081  -1.994  -6.267
  900    HA   PRO 120           HA       PRO 120 -24.207  -3.556  -0.394
  901   1HB   PRO 120          HB2       PRO 120 -25.660  -1.460   0.935
  902   2HB   PRO 120          HB1       PRO 120 -24.614  -2.688   1.649
  903   1HG   PRO 120          HG2       PRO 120 -24.036  -0.001   1.594
  904   2HG   PRO 120          HG1       PRO 120 -22.821  -1.284   1.733
  905   1HD   PRO 120          HD2       PRO 120 -23.656   0.286  -0.672
  906   2HD   PRO 120          HD1       PRO 120 -22.035  -0.250  -0.180
  907    H    GLN 121           HN       GLN 121 -26.801  -3.109   0.080
  908    HA   GLN 121           HA       GLN 121 -27.849  -2.466  -2.580
  909   1HB   GLN 121          HB2       GLN 121 -28.591  -4.378  -0.442
  910   2HB   GLN 121          HB1       GLN 121 -29.914  -3.668  -1.348
  911   1HG   GLN 121          HG2       GLN 121 -28.839  -4.435  -3.438
  912   2HG   GLN 121          HG1       GLN 121 -27.596  -5.224  -2.470
  913   1HE2  GLN 121          HE21      GLN 121 -29.502  -5.989  -0.388
  914   2HE2  GLN 121          HE22      GLN 121 -30.406  -7.312  -1.033
  915    H    CYS 122           HN       CYS 122 -28.978  -0.633  -2.852
  916    HA   CYS 122           HA       CYS 122 -29.923   0.751  -0.458
  917   1HB   CYS 122          HB2       CYS 122 -28.837   1.623  -3.045
  918   2HB   CYS 122          HB1       CYS 122 -30.232   2.544  -2.491
  919    H    GLU 123           HN       GLU 123 -31.979   0.423   0.046
  920    HA   GLU 123           HA       GLU 123 -33.991   0.485  -2.100
  921   1HB   GLU 123          HB2       GLU 123 -33.681  -1.850  -1.372
  922   2HB   GLU 123          HB1       GLU 123 -33.960  -1.367   0.295
  923   1HG   GLU 123          HG2       GLU 123 -35.942  -2.386  -0.629
  924   2HG   GLU 123          HG1       GLU 123 -36.233  -0.681  -0.287
  925    H    ILE 124           HN       ILE 124 -35.856   1.571  -1.622
  926    HA   ILE 124           HA       ILE 124 -35.605   3.553   0.440
  927    HB   ILE 124           HB       ILE 124 -36.630   4.043  -1.775
  928   1HG1  ILE 124          HG12      ILE 124 -38.471   4.476   0.591
  929   2HG1  ILE 124          HG11      ILE 124 -37.061   5.459   0.211
  930   1HG2  ILE 124          HG21      ILE 124 -38.887   3.319  -2.260
  931   2HG2  ILE 124          HG22      ILE 124 -38.959   2.432  -0.737
  932   3HG2  ILE 124          HG23      ILE 124 -37.851   1.913  -2.008
  933   1HD1  ILE 124          HD11      ILE 124 -39.525   5.171  -1.489
  934   2HD1  ILE 124          HD12      ILE 124 -38.109   6.144  -1.885
  935   3HD1  ILE 124          HD13      ILE 124 -39.099   6.557  -0.486
  936    H    LEU 125           HN       LEU 125 -37.003   3.876   2.196
  937    HA   LEU 125           HA       LEU 125 -37.777   1.527   3.574
  938   1HB   LEU 125          HB2       LEU 125 -38.582   4.377   4.167
  939   2HB   LEU 125          HB1       LEU 125 -38.602   3.031   5.288
  940    HG   LEU 125           HG       LEU 125 -36.064   4.061   4.026
  941   1HD1  LEU 125          HD11      LEU 125 -37.308   4.825   6.664
  942   2HD1  LEU 125          HD12      LEU 125 -37.060   5.880   5.273
  943   3HD1  LEU 125          HD13      LEU 125 -35.672   5.237   6.151
  944   1HD2  LEU 125          HD21      LEU 125 -36.085   1.754   4.964
  945   2HD2  LEU 125          HD22      LEU 125 -36.497   2.447   6.533
  946   3HD2  LEU 125          HD23      LEU 125 -34.957   2.847   5.768
  947    H    GLU 126           HN       GLU 126 -40.232   2.314   4.754
  948    HA   GLU 126           HA       GLU 126 -42.044   1.346   2.753
  949   1HB   GLU 126          HB2       GLU 126 -42.523   2.285   5.585
  950   2HB   GLU 126          HB1       GLU 126 -43.750   1.557   4.558
  951   1HG   GLU 126          HG2       GLU 126 -41.215   0.244   5.507
  952   2HG   GLU 126          HG1       GLU 126 -42.845  -0.068   6.102
  953    H    HIS 127           HN       HIS 127 -42.603   2.709   1.169
  954    HA   HIS 127           HA       HIS 127 -44.037   5.131   1.887
  955   1HB   HIS 127          HB2       HIS 127 -41.618   5.780   1.586
  956   2HB   HIS 127          HB1       HIS 127 -41.757   5.267  -0.092
  957    HD1  HIS 127           HD1      HIS 127 -41.779   7.356  -1.420
  958    HD2  HIS 127           HD2      HIS 127 -44.208   7.626   1.941
  959    HE1  HIS 127           HE1      HIS 127 -42.912   9.596  -1.587
  960    HE2  HIS 127           HE2      HIS 127 -44.410   9.720   0.435
  961    H    HIS 128           HN       HIS 128 -45.273   6.018   0.080
  962    HA   HIS 128           HA       HIS 128 -46.094   3.890  -1.744
  963   1HB   HIS 128          HB2       HIS 128 -47.840   4.995  -0.419
  964   2HB   HIS 128          HB1       HIS 128 -47.400   6.548  -1.120
  965    HD1  HIS 128           HD1      HIS 128 -49.194   3.364  -1.894
  966    HD2  HIS 128           HD2      HIS 128 -48.321   6.988  -3.731
  967    HE1  HIS 128           HE1      HIS 128 -50.662   3.455  -3.935
  968    HE2  HIS 128           HE2      HIS 128 -50.118   5.657  -5.031
  969    H    HIS 129           HN       HIS 129 -46.054   7.417  -2.195
  970    HA   HIS 129           HA       HIS 129 -45.664   7.329  -4.952
  971   1HB   HIS 129          HB2       HIS 129 -44.896   9.522  -3.016
  972   2HB   HIS 129          HB1       HIS 129 -45.029   9.708  -4.762
  973    HD1  HIS 129           HD1      HIS 129 -46.939  10.070  -1.729
  974    HD2  HIS 129           HD2      HIS 129 -47.795   9.165  -5.694
  975    HE1  HIS 129           HE1      HIS 129 -49.403  10.495  -1.998
  976    HE2  HIS 129           HE2      HIS 129 -49.914   9.847  -4.379
  977    H    HIS 130           HN       HIS 130 -43.814   7.927  -6.229
  978    HA   HIS 130           HA       HIS 130 -41.189   7.842  -5.053
  979   1HB   HIS 130          HB2       HIS 130 -41.760   5.440  -5.156
  980   2HB   HIS 130          HB1       HIS 130 -42.048   5.593  -6.886
  981    HD1  HIS 130           HD1      HIS 130 -40.095   5.176  -8.363
  982    HD2  HIS 130           HD2      HIS 130 -38.955   6.004  -4.454
  983    HE1  HIS 130           HE1      HIS 130 -37.607   4.822  -8.299
  984    HE2  HIS 130           HE2      HIS 130 -36.951   5.249  -5.904
  985    H    HIS 131           HN       HIS 131 -39.741   8.899  -6.294
  986    HA   HIS 131           HA       HIS 131 -40.664  10.250  -8.633
  987   1HB   HIS 131          HB2       HIS 131 -38.290  11.105  -8.720
  988   2HB   HIS 131          HB1       HIS 131 -39.143  11.424  -7.214
  989    HD1  HIS 131           HD1      HIS 131 -38.227  10.362  -5.090
  990    HD2  HIS 131           HD2      HIS 131 -36.209   9.182  -8.525
  991    HE1  HIS 131           HE1      HIS 131 -36.175   9.157  -4.282
  992    HE2  HIS 131           HE2      HIS 131 -34.922   8.535  -6.377
  993    H    HIS 132           HN       HIS 132 -40.120   9.959 -10.756
  994    HA   HIS 132           HA       HIS 132 -39.563   8.841 -12.653
  995   1HB   HIS 132          HB2       HIS 132 -37.286   7.791 -10.957
  996   2HB   HIS 132          HB1       HIS 132 -37.377   7.710 -12.713
  997    HD1  HIS 132           HD1      HIS 132 -36.730  10.079  -9.900
  998    HD2  HIS 132           HD2      HIS 132 -36.823  10.106 -14.053
  999    HE1  HIS 132           HE1      HIS 132 -35.680  12.260 -10.580
 1000    HE2  HIS 132           HE2      HIS 132 -35.817  12.288 -13.096
  Start of MODEL   27
    1   1H    MET   0           HT1      MET   0  36.326  -0.764  -0.146
    2   2H    MET   0           HT2      MET   0  36.352  -2.359   0.419
    3   3H    MET   0           HT3      MET   0  35.090  -1.325   0.864
    4    HA   MET   0           HA       MET   0  35.653  -2.171  -1.914
    5   1HB   MET   0          HB2       MET   0  33.656  -3.226   0.094
    6   2HB   MET   0          HB1       MET   0  33.577  -3.563  -1.629
    7   1HG   MET   0          HG2       MET   0  35.803  -4.330   0.245
    8   2HG   MET   0          HG1       MET   0  34.594  -5.407  -0.450
    9   1HE   MET   0          HE1       MET   0  37.813  -6.561  -2.311
   10   2HE   MET   0          HE2       MET   0  36.508  -7.001  -1.208
   11   3HE   MET   0          HE3       MET   0  37.804  -5.935  -0.662
   12    H    ASN   1           HN       ASN   1  32.908  -1.270   0.171
   13    HA   ASN   1           HA       ASN   1  31.267   0.281  -0.046
   14   1HB   ASN   1          HB2       ASN   1  33.565   1.523  -1.386
   15   2HB   ASN   1          HB1       ASN   1  32.003   2.142  -1.912
   16   1HD2  ASN   1          HD21      ASN   1  30.561   2.954  -0.295
   17   2HD2  ASN   1          HD22      ASN   1  31.195   3.647   1.155
   18    H    CYS   2           HN       CYS   2  29.545   0.970  -1.418
   19    HA   CYS   2           HA       CYS   2  29.325  -0.675  -3.843
   20   1HB   CYS   2          HB2       CYS   2  27.268   0.402  -1.924
   21   2HB   CYS   2          HB1       CYS   2  26.819  -0.173  -3.527
   22    H    GLY   3           HN       GLY   3  27.779   0.332  -5.529
   23   1HA   GLY   3          HA2       GLY   3  28.823   2.927  -6.213
   24   2HA   GLY   3          HA1       GLY   3  27.684   1.979  -7.161
   25    HA   PRO   4           HA       PRO   4  25.768   5.856  -4.970
   26   1HB   PRO   4          HB2       PRO   4  24.852   6.052  -7.812
   27   2HB   PRO   4          HB1       PRO   4  25.230   7.341  -6.664
   28   1HG   PRO   4          HG2       PRO   4  26.973   6.693  -8.560
   29   2HG   PRO   4          HG1       PRO   4  27.529   7.070  -6.920
   30   1HD   PRO   4          HD2       PRO   4  27.309   4.429  -8.287
   31   2HD   PRO   4          HD1       PRO   4  28.493   4.987  -7.087
   32    HA   PRO   5           HA       PRO   5  22.325   3.145  -4.126
   33   1HB   PRO   5          HB2       PRO   5  21.117   5.795  -3.450
   34   2HB   PRO   5          HB1       PRO   5  21.099   4.282  -2.535
   35   1HG   PRO   5          HG2       PRO   5  22.745   6.254  -1.848
   36   2HG   PRO   5          HG1       PRO   5  23.277   4.563  -1.779
   37   1HD   PRO   5          HD2       PRO   5  23.962   6.690  -3.747
   38   2HD   PRO   5          HD1       PRO   5  24.944   5.334  -3.159
   39    HA   PRO   6           HA       PRO   6  20.366   3.920  -8.180
   40   1HB   PRO   6          HB2       PRO   6  19.181   1.427  -8.194
   41   2HB   PRO   6          HB1       PRO   6  20.791   1.775  -8.832
   42   1HG   PRO   6          HG2       PRO   6  19.998   0.604  -6.199
   43   2HG   PRO   6          HG1       PRO   6  21.358   0.180  -7.257
   44   1HD   PRO   6          HD2       PRO   6  21.691   1.666  -5.043
   45   2HD   PRO   6          HD1       PRO   6  22.654   1.938  -6.508
   46    H    THR   7           HN       THR   7  18.051   2.809  -8.752
   47    HA   THR   7           HA       THR   7  16.195   4.170  -6.922
   48    HB   THR   7           HB       THR   7  15.829   3.426  -9.828
   49    HG1  THR   7           HG1      THR   7  17.280   5.234  -9.270
   50   1HG2  THR   7          HG21      THR   7  13.804   4.894  -9.636
   51   2HG2  THR   7          HG22      THR   7  14.028   4.873  -7.885
   52   3HG2  THR   7          HG23      THR   7  13.691   3.373  -8.749
   53    H    LEU   8           HN       LEU   8  14.625   3.058  -5.891
   54    HA   LEU   8           HA       LEU   8  14.462   0.203  -6.335
   55   1HB   LEU   8          HB2       LEU   8  13.501   2.059  -4.199
   56   2HB   LEU   8          HB1       LEU   8  13.005   0.378  -4.258
   57    HG   LEU   8           HG       LEU   8  14.966   0.990  -2.768
   58   1HD1  LEU   8          HD11      LEU   8  14.381  -1.303  -3.327
   59   2HD1  LEU   8          HD12      LEU   8  16.130  -1.102  -3.251
   60   3HD1  LEU   8          HD13      LEU   8  15.319  -1.181  -4.814
   61   1HD2  LEU   8          HD21      LEU   8  16.213   2.420  -4.223
   62   2HD2  LEU   8          HD22      LEU   8  16.371   1.125  -5.409
   63   3HD2  LEU   8          HD23      LEU   8  17.177   0.991  -3.847
   64    H    SER   9           HN       SER   9  12.212  -0.763  -6.002
   65    HA   SER   9           HA       SER   9  10.265   0.784  -7.580
   66   1HB   SER   9          HB2       SER   9   9.392  -1.494  -8.312
   67   2HB   SER   9          HB1       SER   9  10.963  -1.022  -8.956
   68    HG   SER   9           HG       SER   9  11.368  -3.000  -8.233
   69    H    PHE  10           HN       PHE  10  10.519  -1.810  -5.148
   70    HA   PHE  10           HA       PHE  10   7.772  -1.560  -4.396
   71   1HB   PHE  10          HB2       PHE  10   9.947  -2.863  -2.766
   72   2HB   PHE  10          HB1       PHE  10   8.221  -3.185  -2.712
   73    HD1  PHE  10           HD1      PHE  10  11.297  -3.660  -4.658
   74    HD2  PHE  10           HD2      PHE  10   7.168  -4.621  -4.291
   75    HE1  PHE  10           HE1      PHE  10  11.573  -5.454  -6.316
   76    HE2  PHE  10           HE2      PHE  10   7.435  -6.420  -5.948
   77    HZ   PHE  10           HZ       PHE  10   9.640  -6.838  -6.963
   78    H    ALA  11           HN       ALA  11  10.304   0.463  -3.937
   79    HA   ALA  11           HA       ALA  11   8.965   1.716  -1.665
   80   1HB   ALA  11          HB1       ALA  11  11.875   0.960  -1.718
   81   2HB   ALA  11          HB2       ALA  11  10.648   0.480  -0.547
   82   3HB   ALA  11          HB3       ALA  11  11.203   2.151  -0.607
   83    H    ALA  12           HN       ALA  12  10.957   3.600  -1.203
   84    HA   ALA  12           HA       ALA  12  11.600   5.068  -3.498
   85   1HB   ALA  12          HB1       ALA  12  10.033   6.977  -3.190
   86   2HB   ALA  12          HB2       ALA  12   9.120   5.992  -2.046
   87   3HB   ALA  12          HB3       ALA  12   9.243   5.497  -3.735
   88    HA   PRO  13           HA       PRO  13  14.500   6.750  -0.623
   89   1HB   PRO  13          HB2       PRO  13  13.897   9.317  -2.038
   90   2HB   PRO  13          HB1       PRO  13  15.460   8.598  -1.637
   91   1HG   PRO  13          HG2       PRO  13  14.498   8.459  -4.116
   92   2HG   PRO  13          HG1       PRO  13  15.363   7.087  -3.398
   93   1HD   PRO  13          HD2       PRO  13  12.456   7.433  -3.913
   94   2HD   PRO  13          HD1       PRO  13  13.433   5.953  -3.900
   95    H    MET  14           HN       MET  14  14.359   7.592   1.390
   96    HA   MET  14           HA       MET  14  12.094   9.378   1.970
   97   1HB   MET  14          HB2       MET  14  11.684   7.004   2.708
   98   2HB   MET  14          HB1       MET  14  13.030   7.191   3.825
   99   1HG   MET  14          HG2       MET  14  11.839   9.081   4.880
  100   2HG   MET  14          HG1       MET  14  10.470   8.772   3.814
  101   1HE   MET  14          HE1       MET  14  10.176   9.003   6.849
  102   2HE   MET  14          HE2       MET  14   9.286   7.576   7.379
  103   3HE   MET  14          HE3       MET  14   8.761   8.460   5.946
  104    H    ASP  15           HN       ASP  15  15.405   8.800   2.199
  105    HA   ASP  15           HA       ASP  15  15.836  11.257   3.594
  106   1HB   ASP  15          HB2       ASP  15  15.390   9.594   5.446
  107   2HB   ASP  15          HB1       ASP  15  16.867   8.771   4.957
  108    H    ILE  16           HN       ILE  16  18.293   8.997   4.184
  109    HA   ILE  16           HA       ILE  16  20.478   9.072   3.516
  110    HB   ILE  16           HB       ILE  16  19.816   7.231   2.219
  111   1HG1  ILE  16          HG12      ILE  16  21.118   9.039   0.202
  112   2HG1  ILE  16          HG11      ILE  16  21.981   8.382   1.590
  113   1HG2  ILE  16          HG21      ILE  16  18.751   7.395   0.018
  114   2HG2  ILE  16          HG22      ILE  16  18.646   9.145   0.220
  115   3HG2  ILE  16          HG23      ILE  16  17.749   8.078   1.300
  116   1HD1  ILE  16          HD11      ILE  16  21.367   6.102   0.768
  117   2HD1  ILE  16          HD12      ILE  16  22.464   7.006  -0.273
  118   3HD1  ILE  16          HD13      ILE  16  20.758   6.868  -0.698
  119    H    THR  17           HN       THR  17  20.919  11.270   3.817
  120    HA   THR  17           HA       THR  17  20.494  13.328   2.027
  121    HB   THR  17           HB       THR  17  22.593  14.362   2.903
  122    HG1  THR  17           HG1      THR  17  23.670  12.268   3.196
  123   1HG2  THR  17          HG21      THR  17  20.503  14.663   4.118
  124   2HG2  THR  17          HG22      THR  17  21.845  14.509   5.251
  125   3HG2  THR  17          HG23      THR  17  20.762  13.145   4.976
  126    H    LEU  18           HN       LEU  18  21.036  13.534  -0.044
  127    HA   LEU  18           HA       LEU  18  22.877  11.704  -1.217
  128   1HB   LEU  18          HB2       LEU  18  20.920  13.688  -2.161
  129   2HB   LEU  18          HB1       LEU  18  22.301  13.450  -3.213
  130    HG   LEU  18           HG       LEU  18  20.515  12.005  -3.934
  131   1HD1  LEU  18          HD11      LEU  18  22.688  10.495  -2.492
  132   2HD1  LEU  18          HD12      LEU  18  22.727  11.081  -4.156
  133   3HD1  LEU  18          HD13      LEU  18  21.608   9.795  -3.699
  134   1HD2  LEU  18          HD21      LEU  18  19.574  10.287  -2.466
  135   2HD2  LEU  18          HD22      LEU  18  19.259  11.909  -1.848
  136   3HD2  LEU  18          HD23      LEU  18  20.524  10.919  -1.120
  137    H    THR  19           HN       THR  19  24.081  13.445   0.676
  138    HA   THR  19           HA       THR  19  25.632  15.362  -0.878
  139    HB   THR  19           HB       THR  19  26.512  16.160   1.196
  140    HG1  THR  19           HG1      THR  19  26.187  13.656   1.997
  141   1HG2  THR  19          HG21      THR  19  23.582  15.496   1.308
  142   2HG2  THR  19          HG22      THR  19  24.351  17.033   0.909
  143   3HG2  THR  19          HG23      THR  19  24.367  16.444   2.571
  144    H    GLU  20           HN       GLU  20  25.740  12.215  -0.700
  145    HA   GLU  20           HA       GLU  20  28.679  12.089  -0.641
  146   1HB   GLU  20          HB2       GLU  20  26.676  10.168   0.522
  147   2HB   GLU  20          HB1       GLU  20  28.322   9.673   0.142
  148   1HG   GLU  20          HG2       GLU  20  29.180  11.386   1.661
  149   2HG   GLU  20          HG1       GLU  20  27.528  11.864   2.047
  150    H    THR  21           HN       THR  21  29.114   9.586  -1.506
  151    HA   THR  21           HA       THR  21  27.632   9.246  -4.016
  152    HB   THR  21           HB       THR  21  29.979   8.706  -5.025
  153    HG1  THR  21           HG1      THR  21  30.721  10.672  -3.109
  154   1HG2  THR  21          HG21      THR  21  30.215  11.086  -5.743
  155   2HG2  THR  21          HG22      THR  21  28.970  11.514  -4.569
  156   3HG2  THR  21          HG23      THR  21  28.580  10.448  -5.919
  157    H    ARG  22           HN       ARG  22  29.738   7.986  -1.552
  158    HA   ARG  22           HA       ARG  22  29.132   5.244  -2.442
  159   1HB   ARG  22          HB2       ARG  22  31.623   6.227  -1.054
  160   2HB   ARG  22          HB1       ARG  22  31.275   4.552  -1.450
  161   1HG   ARG  22          HG2       ARG  22  31.213   5.211  -3.856
  162   2HG   ARG  22          HG1       ARG  22  31.772   6.814  -3.369
  163   1HD   ARG  22          HD2       ARG  22  33.782   5.846  -2.407
  164   2HD   ARG  22          HD1       ARG  22  33.217   4.227  -2.815
  165    HE   ARG  22           HE       ARG  22  33.397   5.941  -5.099
  166   1HH1  ARG  22          HH11      ARG  22  35.202   3.864  -2.961
  167   2HH1  ARG  22          HH12      ARG  22  36.436   3.519  -4.126
  168   1HH2  ARG  22          HH21      ARG  22  35.019   5.491  -6.642
  169   2HH2  ARG  22          HH22      ARG  22  36.331   4.444  -6.220
  170    H    PHE  23           HN       PHE  23  29.092   3.637  -0.674
  171    HA   PHE  23           HA       PHE  23  28.613   4.658   2.007
  172   1HB   PHE  23          HB2       PHE  23  26.507   3.093   0.477
  173   2HB   PHE  23          HB1       PHE  23  26.421   3.525   2.180
  174    HD1  PHE  23           HD1      PHE  23  26.767   5.090  -1.174
  175    HD2  PHE  23           HD2      PHE  23  25.295   5.448   2.799
  176    HE1  PHE  23           HE1      PHE  23  25.695   7.207  -1.775
  177    HE2  PHE  23           HE2      PHE  23  24.207   7.573   2.207
  178    HZ   PHE  23           HZ       PHE  23  24.405   8.459  -0.085
  179    H    LYS  24           HN       LYS  24  29.951   3.421   3.135
  180    HA   LYS  24           HA       LYS  24  31.178   1.108   2.389
  181   1HB   LYS  24          HB2       LYS  24  31.128   0.720   5.060
  182   2HB   LYS  24          HB1       LYS  24  32.190   1.871   4.261
  183   1HG   LYS  24          HG2       LYS  24  31.202   2.990   6.101
  184   2HG   LYS  24          HG1       LYS  24  30.436   3.619   4.644
  185   1HD   LYS  24          HD2       LYS  24  28.498   2.231   5.007
  186   2HD   LYS  24          HD1       LYS  24  29.272   1.454   6.389
  187   1HE   LYS  24          HE2       LYS  24  28.658   4.399   6.229
  188   2HE   LYS  24          HE1       LYS  24  27.602   3.211   6.991
  189   1HZ   LYS  24          HZ1       LYS  24  30.317   4.041   7.826
  190   2HZ   LYS  24          HZ2       LYS  24  29.595   2.624   8.404
  191   3HZ   LYS  24          HZ3       LYS  24  28.878   4.124   8.712
  192    H    THR  25           HN       THR  25  31.036  -1.096   3.301
  193    HA   THR  25           HA       THR  25  28.569  -2.281   2.660
  194    HB   THR  25           HB       THR  25  29.750  -4.241   4.019
  195    HG1  THR  25           HG1      THR  25  32.126  -3.704   3.273
  196   1HG2  THR  25          HG21      THR  25  30.703  -3.361   1.294
  197   2HG2  THR  25          HG22      THR  25  29.175  -4.188   1.593
  198   3HG2  THR  25          HG23      THR  25  30.701  -5.008   1.931
  199    H    GLY  26           HN       GLY  26  29.314  -0.583   5.370
  200   1HA   GLY  26          HA2       GLY  26  27.682  -2.282   7.137
  201   2HA   GLY  26          HA1       GLY  26  28.748  -0.991   7.671
  202    H    THR  27           HN       THR  27  27.512   0.423   5.190
  203    HA   THR  27           HA       THR  27  25.779   2.121   6.606
  204    HB   THR  27           HB       THR  27  27.022   2.583   4.401
  205    HG1  THR  27           HG1      THR  27  25.683   4.274   4.130
  206   1HG2  THR  27          HG21      THR  27  26.212   1.840   2.425
  207   2HG2  THR  27          HG22      THR  27  24.532   1.940   2.958
  208   3HG2  THR  27          HG23      THR  27  25.524   0.554   3.419
  209    H    THR  28           HN       THR  28  23.505   2.593   5.945
  210    HA   THR  28           HA       THR  28  21.917   0.448   4.895
  211    HB   THR  28           HB       THR  28  21.717   1.138   7.836
  212    HG1  THR  28           HG1      THR  28  22.531  -0.814   8.137
  213   1HG2  THR  28          HG21      THR  28  19.790  -0.423   7.876
  214   2HG2  THR  28          HG22      THR  28  19.840  -0.485   6.114
  215   3HG2  THR  28          HG23      THR  28  19.474   1.034   6.932
  216    H    LEU  29           HN       LEU  29  20.322   1.361   3.789
  217    HA   LEU  29           HA       LEU  29  19.765   4.176   4.217
  218   1HB   LEU  29          HB2       LEU  29  18.571   2.411   2.096
  219   2HB   LEU  29          HB1       LEU  29  18.697   4.157   2.094
  220    HG   LEU  29           HG       LEU  29  20.809   2.112   1.539
  221   1HD1  LEU  29          HD11      LEU  29  19.814   4.607   0.193
  222   2HD1  LEU  29          HD12      LEU  29  19.733   2.944  -0.388
  223   3HD1  LEU  29          HD13      LEU  29  21.287   3.772  -0.297
  224   1HD2  LEU  29          HD21      LEU  29  21.726   3.542   3.299
  225   2HD2  LEU  29          HD22      LEU  29  21.368   4.962   2.317
  226   3HD2  LEU  29          HD23      LEU  29  22.543   3.773   1.754
  227    H    LYS  30           HN       LYS  30  17.495   4.941   4.018
  228    HA   LYS  30           HA       LYS  30  15.841   3.489   5.902
  229   1HB   LYS  30          HB2       LYS  30  16.077   6.258   4.948
  230   2HB   LYS  30          HB1       LYS  30  14.420   5.730   5.204
  231   1HG   LYS  30          HG2       LYS  30  16.600   5.512   7.270
  232   2HG   LYS  30          HG1       LYS  30  15.465   6.859   7.157
  233   1HD   LYS  30          HD2       LYS  30  13.596   5.274   7.438
  234   2HD   LYS  30          HD1       LYS  30  14.764   3.964   7.627
  235   1HE   LYS  30          HE2       LYS  30  15.674   5.017   9.609
  236   2HE   LYS  30          HE1       LYS  30  14.596   6.396   9.398
  237   1HZ   LYS  30          HZ1       LYS  30  13.730   3.605   9.925
  238   2HZ   LYS  30          HZ2       LYS  30  12.708   4.942   9.749
  239   3HZ   LYS  30          HZ3       LYS  30  13.767   4.853  11.066
  240    H    TYR  31           HN       TYR  31  14.819   5.383   3.112
  241    HA   TYR  31           HA       TYR  31  13.426   4.961   1.388
  242   1HB   TYR  31          HB2       TYR  31  14.669   2.335   1.904
  243   2HB   TYR  31          HB1       TYR  31  13.173   2.301   0.968
  244    HD1  TYR  31           HD1      TYR  31  13.087   3.236  -1.260
  245    HD2  TYR  31           HD2      TYR  31  16.655   3.461   1.048
  246    HE1  TYR  31           HE1      TYR  31  14.342   3.886  -3.273
  247    HE2  TYR  31           HE2      TYR  31  17.918   4.110  -0.959
  248    HH   TYR  31           HH       TYR  31  17.706   3.865  -3.428
  249    H    THR  32           HN       THR  32  11.330   5.091   1.270
  250    HA   THR  32           HA       THR  32   9.697   3.800   3.348
  251    HB   THR  32           HB       THR  32   9.410   6.117   3.567
  252    HG1  THR  32           HG1      THR  32   7.399   4.841   3.232
  253   1HG2  THR  32          HG21      THR  32   9.286   6.204   0.557
  254   2HG2  THR  32          HG22      THR  32  10.505   6.921   1.614
  255   3HG2  THR  32          HG23      THR  32   8.865   7.573   1.587
  256    H    CYS  33           HN       CYS  33   7.303   3.535   2.539
  257    HA   CYS  33           HA       CYS  33   7.401   2.262  -0.119
  258   1HB   CYS  33          HB2       CYS  33   6.193   1.340   2.459
  259   2HB   CYS  33          HB1       CYS  33   5.494   0.812   0.933
  260    H    LEU  34           HN       LEU  34   6.064   2.888  -1.532
  261    HA   LEU  34           HA       LEU  34   4.487   5.126  -1.439
  262   1HB   LEU  34          HB2       LEU  34   3.973   2.748  -3.217
  263   2HB   LEU  34          HB1       LEU  34   3.464   4.398  -3.512
  264    HG   LEU  34           HG       LEU  34   6.337   3.450  -3.412
  265   1HD1  LEU  34          HD11      LEU  34   4.452   4.033  -5.680
  266   2HD1  LEU  34          HD12      LEU  34   5.419   2.586  -5.394
  267   3HD1  LEU  34          HD13      LEU  34   6.204   4.090  -5.874
  268   1HD2  LEU  34          HD21      LEU  34   5.274   6.123  -4.299
  269   2HD2  LEU  34          HD22      LEU  34   6.957   5.640  -4.078
  270   3HD2  LEU  34          HD23      LEU  34   5.898   5.812  -2.678
  271    HA   PRO  35           HA       PRO  35   0.664   4.683   0.604
  272   1HB   PRO  35          HB2       PRO  35  -1.083   5.117  -1.573
  273   2HB   PRO  35          HB1       PRO  35  -0.484   6.319  -0.430
  274   1HG   PRO  35          HG2       PRO  35   0.496   5.635  -3.154
  275   2HG   PRO  35          HG1       PRO  35   0.491   7.198  -2.315
  276   1HD   PRO  35          HD2       PRO  35   2.747   5.809  -2.617
  277   2HD   PRO  35          HD1       PRO  35   2.416   6.698  -1.113
  278    H    GLY  36           HN       GLY  36   0.918   2.867  -2.419
  279   1HA   GLY  36          HA2       GLY  36  -1.318   1.189  -1.756
  280   2HA   GLY  36          HA1       GLY  36  -0.251   1.005  -3.130
  281    H    TYR  37           HN       TYR  37   1.766   1.120  -0.532
  282    HA   TYR  37           HA       TYR  37   1.977  -1.782  -0.514
  283   1HB   TYR  37          HB2       TYR  37   3.744   0.369   0.680
  284   2HB   TYR  37          HB1       TYR  37   4.073  -1.357   0.797
  285    HD1  TYR  37           HD1      TYR  37   4.989  -2.574  -1.065
  286    HD2  TYR  37           HD2      TYR  37   3.851   1.500  -1.522
  287    HE1  TYR  37           HE1      TYR  37   6.139  -2.500  -3.234
  288    HE2  TYR  37           HE2      TYR  37   5.009   1.583  -3.685
  289    HH   TYR  37           HH       TYR  37   6.727   0.437  -4.901
  290    H    VAL  38           HN       VAL  38   1.589  -3.073   1.253
  291    HA   VAL  38           HA       VAL  38   0.656  -1.829   3.748
  292    HB   VAL  38           HB       VAL  38  -1.194  -3.386   3.882
  293   1HG1  VAL  38          HG11      VAL  38  -2.621  -2.527   2.190
  294   2HG1  VAL  38          HG12      VAL  38  -1.263  -2.225   1.108
  295   3HG1  VAL  38          HG13      VAL  38  -1.461  -1.253   2.568
  296   1HG2  VAL  38          HG21      VAL  38  -0.160  -5.286   2.778
  297   2HG2  VAL  38          HG22      VAL  38  -0.255  -4.451   1.228
  298   3HG2  VAL  38          HG23      VAL  38  -1.733  -4.927   2.065
  299    H    ARG  39           HN       ARG  39  -0.104  -4.497   4.658
  300    HA   ARG  39           HA       ARG  39   1.910  -5.325   6.191
  301   1HB   ARG  39          HB2       ARG  39  -0.034  -7.119   4.748
  302   2HB   ARG  39          HB1       ARG  39   0.956  -7.622   6.111
  303   1HG   ARG  39          HG2       ARG  39  -0.137  -5.865   7.482
  304   2HG   ARG  39          HG1       ARG  39  -1.206  -5.529   6.117
  305   1HD   ARG  39          HD2       ARG  39  -2.057  -7.793   6.182
  306   2HD   ARG  39          HD1       ARG  39  -0.925  -8.210   7.468
  307    HE   ARG  39           HE       ARG  39  -2.596  -6.026   8.205
  308   1HH1  ARG  39          HH11      ARG  39  -2.516  -9.492   7.869
  309   2HH1  ARG  39          HH12      ARG  39  -3.732  -9.766   9.073
  310   1HH2  ARG  39          HH21      ARG  39  -4.197  -6.376   9.792
  311   2HH2  ARG  39          HH22      ARG  39  -4.688  -7.995  10.165
  312    H    SER  40           HN       SER  40   3.654  -6.666   6.148
  313    HA   SER  40           HA       SER  40   4.472  -8.364   4.109
  314   1HB   SER  40          HB2       SER  40   4.644  -6.273   2.778
  315   2HB   SER  40          HB1       SER  40   5.808  -5.654   3.951
  316    HG   SER  40           HG       SER  40   6.193  -8.109   2.604
  317    H    HIS  41           HN       HIS  41   5.855  -5.863   6.230
  318    HA   HIS  41           HA       HIS  41   7.423  -5.937   7.874
  319   1HB   HIS  41          HB2       HIS  41   6.696  -8.866   7.994
  320   2HB   HIS  41          HB1       HIS  41   7.559  -7.968   9.237
  321    HD1  HIS  41           HD1      HIS  41   4.190  -8.845   8.109
  322    HD2  HIS  41           HD2      HIS  41   5.923  -5.960  10.547
  323    HE1  HIS  41           HE1      HIS  41   2.301  -7.887   9.464
  324    HE2  HIS  41           HE2      HIS  41   3.367  -6.124  10.913
  325    H    SER  42           HN       SER  42   8.052  -6.626   5.023
  326    HA   SER  42           HA       SER  42  10.279  -8.445   5.152
  327   1HB   SER  42          HB2       SER  42   9.218  -6.633   2.985
  328   2HB   SER  42          HB1       SER  42  10.628  -7.673   2.767
  329    HG   SER  42           HG       SER  42   8.702  -9.165   3.787
  330    H    THR  43           HN       THR  43   9.828  -5.293   6.055
  331    HA   THR  43           HA       THR  43  11.220  -3.621   6.730
  332    HB   THR  43           HB       THR  43  13.279  -5.783   6.380
  333    HG1  THR  43           HG1      THR  43  11.523  -5.795   8.087
  334   1HG2  THR  43          HG21      THR  43  14.760  -4.358   7.769
  335   2HG2  THR  43          HG22      THR  43  13.583  -3.052   7.634
  336   3HG2  THR  43          HG23      THR  43  14.409  -3.646   6.194
  337    H    GLN  44           HN       GLN  44  12.376  -1.911   5.857
  338    HA   GLN  44           HA       GLN  44  13.255  -2.255   3.075
  339   1HB   GLN  44          HB2       GLN  44  12.579   0.164   2.755
  340   2HB   GLN  44          HB1       GLN  44  11.266  -0.991   2.925
  341   1HG   GLN  44          HG2       GLN  44  12.280   0.556   5.278
  342   2HG   GLN  44          HG1       GLN  44  11.109   1.249   4.157
  343   1HE2  GLN  44          HE21      GLN  44  11.625  -0.928   6.751
  344   2HE2  GLN  44          HE22      GLN  44   9.986  -1.439   6.944
  345    H    THR  45           HN       THR  45  15.395  -2.282   3.187
  346    HA   THR  45           HA       THR  45  16.773   0.097   4.046
  347    HB   THR  45           HB       THR  45  18.429  -1.246   5.436
  348    HG1  THR  45           HG1      THR  45  16.347  -3.030   6.002
  349   1HG2  THR  45          HG21      THR  45  15.624  -0.867   6.486
  350   2HG2  THR  45          HG22      THR  45  16.920   0.329   6.487
  351   3HG2  THR  45          HG23      THR  45  17.055  -1.118   7.486
  352    H    LEU  46           HN       LEU  46  18.654   0.391   2.932
  353    HA   LEU  46           HA       LEU  46  19.399  -1.741   1.038
  354   1HB   LEU  46          HB2       LEU  46  19.399   1.221   0.858
  355   2HB   LEU  46          HB1       LEU  46  20.699   0.378   0.041
  356    HG   LEU  46           HG       LEU  46  17.753  -0.097  -0.445
  357   1HD1  LEU  46          HD11      LEU  46  19.802   1.375  -2.100
  358   2HD1  LEU  46          HD12      LEU  46  18.441   2.098  -1.241
  359   3HD1  LEU  46          HD13      LEU  46  18.149   1.008  -2.596
  360   1HD2  LEU  46          HD21      LEU  46  19.925  -1.000  -2.264
  361   2HD2  LEU  46          HD22      LEU  46  18.317  -1.676  -1.999
  362   3HD2  LEU  46          HD23      LEU  46  19.593  -1.939  -0.809
  363    H    THR  47           HN       THR  47  21.094  -2.900   1.700
  364    HA   THR  47           HA       THR  47  23.203  -1.507   3.235
  365    HB   THR  47           HB       THR  47  22.883  -4.494   3.235
  366    HG1  THR  47           HG1      THR  47  21.675  -2.971   5.268
  367   1HG2  THR  47          HG21      THR  47  24.897  -3.615   4.228
  368   2HG2  THR  47          HG22      THR  47  23.844  -4.202   5.516
  369   3HG2  THR  47          HG23      THR  47  23.971  -2.471   5.199
  370    H    CYS  48           HN       CYS  48  25.379  -1.859   2.689
  371    HA   CYS  48           HA       CYS  48  25.740  -2.827  -0.016
  372   1HB   CYS  48          HB2       CYS  48  26.846  -0.694   0.768
  373   2HB   CYS  48          HB1       CYS  48  27.816  -1.659   1.864
  374    H    ASN  49           HN       ASN  49  26.150  -4.900  -0.332
  375    HA   ASN  49           HA       ASN  49  27.377  -6.466   1.815
  376   1HB   ASN  49          HB2       ASN  49  26.548  -8.424   0.678
  377   2HB   ASN  49          HB1       ASN  49  25.239  -7.248   0.749
  378   1HD2  ASN  49          HD21      ASN  49  25.405  -9.414  -1.056
  379   2HD2  ASN  49          HD22      ASN  49  25.505  -8.762  -2.653
  380    H    SER  50           HN       SER  50  28.952  -8.213   1.024
  381    HA   SER  50           HA       SER  50  31.034  -6.914  -0.482
  382   1HB   SER  50          HB2       SER  50  31.492  -8.399   1.483
  383   2HB   SER  50          HB1       SER  50  30.938  -9.773   0.525
  384    HG   SER  50           HG       SER  50  32.773  -8.346  -0.838
  385    H    ASP  51           HN       ASP  51  29.383  -6.757  -2.270
  386    HA   ASP  51           HA       ASP  51  29.940  -8.729  -4.347
  387   1HB   ASP  51          HB2       ASP  51  27.154  -8.033  -3.422
  388   2HB   ASP  51          HB1       ASP  51  27.531  -8.880  -4.919
  389    H    GLY  52           HN       GLY  52  29.758  -5.677  -3.269
  390   1HA   GLY  52          HA2       GLY  52  29.719  -3.619  -4.257
  391   2HA   GLY  52          HA1       GLY  52  30.067  -4.465  -5.755
  392    H    GLU  53           HN       GLU  53  27.269  -5.395  -4.140
  393    HA   GLU  53           HA       GLU  53  25.569  -3.612  -5.763
  394   1HB   GLU  53          HB2       GLU  53  24.144  -5.389  -6.366
  395   2HB   GLU  53          HB1       GLU  53  25.770  -6.015  -6.602
  396   1HG   GLU  53          HG2       GLU  53  25.541  -6.990  -4.254
  397   2HG   GLU  53          HG1       GLU  53  23.822  -6.635  -4.414
  398    H    TRP  54           HN       TRP  54  23.368  -3.329  -4.921
  399    HA   TRP  54           HA       TRP  54  23.382  -3.186  -2.026
  400   1HB   TRP  54          HB2       TRP  54  21.536  -2.090  -4.138
  401   2HB   TRP  54          HB1       TRP  54  21.236  -1.953  -2.411
  402    HD1  TRP  54           HD1      TRP  54  23.126  -0.345  -5.219
  403    HE1  TRP  54           HE1      TRP  54  24.502   1.636  -4.318
  404    HE3  TRP  54           HE3      TRP  54  22.627  -1.239  -0.233
  405    HZ2  TRP  54           HZ2      TRP  54  25.277   2.679  -1.806
  406    HZ3  TRP  54           HZ3      TRP  54  23.712   0.290   1.368
  407    HH2  TRP  54           HH2      TRP  54  25.012   2.209   0.593
  408    H    VAL  55           HN       VAL  55  22.547  -4.730  -0.865
  409    HA   VAL  55           HA       VAL  55  20.660  -6.643  -2.068
  410    HB   VAL  55           HB       VAL  55  21.187  -7.933   0.011
  411   1HG1  VAL  55          HG11      VAL  55  23.394  -7.431  -1.968
  412   2HG1  VAL  55          HG12      VAL  55  22.081  -8.600  -2.125
  413   3HG1  VAL  55          HG13      VAL  55  23.316  -8.819  -0.882
  414   1HG2  VAL  55          HG21      VAL  55  22.099  -6.307   1.416
  415   2HG2  VAL  55          HG22      VAL  55  23.310  -5.843   0.219
  416   3HG2  VAL  55          HG23      VAL  55  23.423  -7.408   1.028
  417    H    TYR  56           HN       TYR  56  18.862  -7.276  -0.894
  418    HA   TYR  56           HA       TYR  56  18.164  -6.338   1.619
  419   1HB   TYR  56          HB2       TYR  56  16.448  -4.599   0.985
  420   2HB   TYR  56          HB1       TYR  56  18.117  -4.119   0.683
  421    HD1  TYR  56           HD1      TYR  56  19.001  -4.151  -1.654
  422    HD2  TYR  56           HD2      TYR  56  14.888  -4.815  -0.805
  423    HE1  TYR  56           HE1      TYR  56  18.454  -3.720  -4.011
  424    HE2  TYR  56           HE2      TYR  56  14.327  -4.386  -3.160
  425    HH   TYR  56           HH       TYR  56  15.266  -3.234  -5.097
  426    H    ASN  57           HN       ASN  57  15.638  -6.408   1.965
  427    HA   ASN  57           HA       ASN  57  14.669  -8.794   0.586
  428   1HB   ASN  57          HB2       ASN  57  13.673  -7.366   3.062
  429   2HB   ASN  57          HB1       ASN  57  12.938  -8.818   2.387
  430   1HD2  ASN  57          HD21      ASN  57  13.923 -10.780   2.657
  431   2HD2  ASN  57          HD22      ASN  57  15.276 -11.019   3.703
  432    H    THR  58           HN       THR  58  12.137  -8.790   0.394
  433    HA   THR  58           HA       THR  58  11.494  -6.646  -1.437
  434    HB   THR  58           HB       THR  58   9.751  -8.966  -0.586
  435    HG1  THR  58           HG1      THR  58  11.946  -9.351  -1.664
  436   1HG2  THR  58          HG21      THR  58   8.709  -8.571  -2.826
  437   2HG2  THR  58          HG22      THR  58   9.669  -7.097  -2.955
  438   3HG2  THR  58          HG23      THR  58   8.466  -7.257  -1.676
  439    H    PHE  59           HN       PHE  59  11.645  -5.126   0.517
  440    HA   PHE  59           HA       PHE  59   9.871  -5.031   2.603
  441   1HB   PHE  59          HB2       PHE  59  10.002  -2.417   2.125
  442   2HB   PHE  59          HB1       PHE  59  11.366  -3.316   2.774
  443    HD1  PHE  59           HD1      PHE  59  13.413  -3.153   1.754
  444    HD2  PHE  59           HD2      PHE  59   9.913  -2.215  -0.475
  445    HE1  PHE  59           HE1      PHE  59  14.814  -2.386  -0.113
  446    HE2  PHE  59           HE2      PHE  59  11.311  -1.450  -2.348
  447    HZ   PHE  59           HZ       PHE  59  13.761  -1.534  -2.165
  448    H    CYS  60           HN       CYS  60   7.751  -4.846   2.810
  449    HA   CYS  60           HA       CYS  60   5.556  -4.500   2.356
  450   1HB   CYS  60          HB2       CYS  60   6.376  -2.492   0.274
  451   2HB   CYS  60          HB1       CYS  60   4.942  -2.493   1.297
  452    H    ILE  61           HN       ILE  61   4.125  -5.659   1.199
  453    HA   ILE  61           HA       ILE  61   5.087  -6.918  -1.241
  454    HB   ILE  61           HB       ILE  61   3.502  -8.584  -0.944
  455   1HG1  ILE  61          HG12      ILE  61   1.952  -6.709   0.859
  456   2HG1  ILE  61          HG11      ILE  61   1.530  -7.115  -0.803
  457   1HG2  ILE  61          HG21      ILE  61   3.653  -9.276   1.364
  458   2HG2  ILE  61          HG22      ILE  61   4.026  -7.628   1.864
  459   3HG2  ILE  61          HG23      ILE  61   5.174  -8.530   0.874
  460   1HD1  ILE  61          HD11      ILE  61   1.314  -9.488  -0.086
  461   2HD1  ILE  61          HD12      ILE  61   0.148  -8.389   0.647
  462   3HD1  ILE  61          HD13      ILE  61   1.540  -8.947   1.578
  463    H    TYR  62           HN       TYR  62   2.715  -4.612  -0.216
  464    HA   TYR  62           HA       TYR  62   1.341  -3.197  -1.386
  465   1HB   TYR  62          HB2       TYR  62   3.442  -3.101  -2.874
  466   2HB   TYR  62          HB1       TYR  62   2.567  -4.187  -3.951
  467    HD1  TYR  62           HD1      TYR  62  -0.137  -3.190  -3.972
  468    HD2  TYR  62           HD2      TYR  62   3.503  -1.022  -3.791
  469    HE1  TYR  62           HE1      TYR  62  -1.261  -1.235  -4.941
  470    HE2  TYR  62           HE2      TYR  62   2.411   0.941  -4.766
  471    HH   TYR  62           HH       TYR  62   0.513   1.801  -5.502
  472    H    LYS  63           HN       LYS  63  -0.658  -3.900  -1.188
  473    HA   LYS  63           HA       LYS  63  -1.856  -5.389  -3.362
  474   1HB   LYS  63          HB2       LYS  63  -2.986  -6.910  -1.635
  475   2HB   LYS  63          HB1       LYS  63  -1.309  -7.263  -2.024
  476   1HG   LYS  63          HG2       LYS  63  -0.551  -6.608   0.026
  477   2HG   LYS  63          HG1       LYS  63  -1.867  -5.460   0.264
  478   1HD   LYS  63          HD2       LYS  63  -3.348  -7.112   0.949
  479   2HD   LYS  63          HD1       LYS  63  -2.404  -8.406   0.218
  480   1HE   LYS  63          HE2       LYS  63  -0.667  -8.044   1.891
  481   2HE   LYS  63          HE1       LYS  63  -1.611  -6.765   2.631
  482   1HZ   LYS  63          HZ1       LYS  63  -1.780  -8.979   3.736
  483   2HZ   LYS  63          HZ2       LYS  63  -2.574  -9.559   2.361
  484   3HZ   LYS  63          HZ3       LYS  63  -3.265  -8.316   3.274
  485    H    ARG  64           HN       ARG  64  -3.664  -4.301  -3.846
  486    HA   ARG  64           HA       ARG  64  -5.105  -2.990  -1.651
  487   1HB   ARG  64          HB2       ARG  64  -5.711  -1.216  -3.377
  488   2HB   ARG  64          HB1       ARG  64  -4.072  -1.198  -2.744
  489   1HG   ARG  64          HG2       ARG  64  -3.640  -2.712  -4.876
  490   2HG   ARG  64          HG1       ARG  64  -5.053  -1.829  -5.460
  491   1HD   ARG  64          HD2       ARG  64  -2.552  -0.578  -4.330
  492   2HD   ARG  64          HD1       ARG  64  -2.928  -0.725  -6.049
  493    HE   ARG  64           HE       ARG  64  -4.881   0.680  -4.418
  494   1HH1  ARG  64          HH11      ARG  64  -2.168   0.880  -6.597
  495   2HH1  ARG  64          HH12      ARG  64  -2.491   2.519  -7.052
  496   1HH2  ARG  64          HH21      ARG  64  -5.312   2.838  -5.014
  497   2HH2  ARG  64          HH22      ARG  64  -4.277   3.633  -6.151
  498    H    CYS  65           HN       CYS  65  -7.371  -2.242  -2.537
  499    HA   CYS  65           HA       CYS  65  -8.540  -4.586  -3.883
  500   1HB   CYS  65          HB2       CYS  65 -10.180  -2.792  -2.146
  501   2HB   CYS  65          HB1       CYS  65 -10.355  -4.517  -2.452
  502    H    ARG  66           HN       ARG  66  -9.741  -4.229  -5.681
  503    HA   ARG  66           HA       ARG  66  -9.600  -1.787  -7.006
  504   1HB   ARG  66          HB2       ARG  66 -10.054  -3.786  -8.261
  505   2HB   ARG  66          HB1       ARG  66 -11.541  -4.076  -7.368
  506   1HG   ARG  66          HG2       ARG  66 -12.019  -3.215  -9.583
  507   2HG   ARG  66          HG1       ARG  66 -12.514  -2.054  -8.348
  508   1HD   ARG  66          HD2       ARG  66 -11.442  -0.772 -10.001
  509   2HD   ARG  66          HD1       ARG  66 -10.261  -0.944  -8.702
  510    HE   ARG  66           HE       ARG  66  -9.790  -3.018 -10.471
  511   1HH1  ARG  66          HH11      ARG  66  -9.740   0.467 -10.523
  512   2HH1  ARG  66          HH12      ARG  66  -8.512   0.559 -11.741
  513   1HH2  ARG  66          HH21      ARG  66  -8.172  -2.905 -12.075
  514   2HH2  ARG  66          HH22      ARG  66  -7.622  -1.357 -12.623
  515    H    HIS  67           HN       HIS  67 -10.964  -0.069  -7.219
  516    HA   HIS  67           HA       HIS  67 -12.398   0.812  -5.029
  517   1HB   HIS  67          HB2       HIS  67 -11.572   2.202  -6.953
  518   2HB   HIS  67          HB1       HIS  67 -12.928   1.601  -7.900
  519    HD1  HIS  67           HD1      HIS  67 -15.178   2.699  -7.550
  520    HD2  HIS  67           HD2      HIS  67 -12.307   3.948  -4.819
  521    HE1  HIS  67           HE1      HIS  67 -16.199   4.661  -6.353
  522    HE2  HIS  67           HE2      HIS  67 -14.430   5.425  -4.729
  523    HA   PRO  68           HA       PRO  68 -16.147  -1.637  -5.002
  524   1HB   PRO  68          HB2       PRO  68 -17.757   0.279  -3.851
  525   2HB   PRO  68          HB1       PRO  68 -16.715  -0.835  -2.963
  526   1HG   PRO  68          HG2       PRO  68 -16.204   2.005  -3.747
  527   2HG   PRO  68          HG1       PRO  68 -15.846   1.182  -2.218
  528   1HD   PRO  68          HD2       PRO  68 -13.917   1.630  -4.009
  529   2HD   PRO  68          HD1       PRO  68 -13.973   0.096  -3.114
  530    H    GLY  69           HN       GLY  69 -16.134   1.719  -6.107
  531   1HA   GLY  69          HA2       GLY  69 -16.913   2.265  -8.320
  532   2HA   GLY  69          HA1       GLY  69 -18.085   0.962  -8.180
  533    H    GLU  70           HN       GLU  70 -19.430   2.759  -8.958
  534    HA   GLU  70           HA       GLU  70 -20.173   4.785  -7.020
  535   1HB   GLU  70          HB2       GLU  70 -20.114   5.337  -9.443
  536   2HB   GLU  70          HB1       GLU  70 -21.374   4.144  -9.724
  537   1HG   GLU  70          HG2       GLU  70 -22.272   6.403  -9.681
  538   2HG   GLU  70          HG1       GLU  70 -22.924   5.423  -8.367
  539    H    LEU  71           HN       LEU  71 -21.771   4.756  -5.690
  540    HA   LEU  71           HA       LEU  71 -23.480   2.377  -5.626
  541   1HB   LEU  71          HB2       LEU  71 -22.366   2.725  -3.552
  542   2HB   LEU  71          HB1       LEU  71 -22.710   4.442  -3.567
  543    HG   LEU  71           HG       LEU  71 -25.048   3.998  -3.136
  544   1HD1  LEU  71          HD11      LEU  71 -25.507   1.959  -4.197
  545   2HD1  LEU  71          HD12      LEU  71 -25.694   1.637  -2.471
  546   3HD1  LEU  71          HD13      LEU  71 -24.230   1.124  -3.312
  547   1HD2  LEU  71          HD21      LEU  71 -23.545   4.277  -1.245
  548   2HD2  LEU  71          HD22      LEU  71 -23.265   2.536  -1.214
  549   3HD2  LEU  71          HD23      LEU  71 -24.870   3.179  -0.861
  550    H    ARG  72           HN       ARG  72 -25.113   2.784  -7.019
  551    HA   ARG  72           HA       ARG  72 -26.235   5.353  -7.430
  552   1HB   ARG  72          HB2       ARG  72 -26.521   3.649  -9.160
  553   2HB   ARG  72          HB1       ARG  72 -27.357   2.594  -8.028
  554   1HG   ARG  72          HG2       ARG  72 -29.230   4.106  -7.933
  555   2HG   ARG  72          HG1       ARG  72 -28.387   5.263  -8.967
  556   1HD   ARG  72          HD2       ARG  72 -29.989   4.011 -10.275
  557   2HD   ARG  72          HD1       ARG  72 -28.351   3.587 -10.771
  558    HE   ARG  72           HE       ARG  72 -29.402   1.809  -8.791
  559   1HH1  ARG  72          HH11      ARG  72 -29.345   2.536 -12.198
  560   2HH1  ARG  72          HH12      ARG  72 -29.704   0.911 -12.682
  561   1HH2  ARG  72          HH21      ARG  72 -29.877  -0.332  -9.419
  562   2HH2  ARG  72          HH22      ARG  72 -30.007  -0.718 -11.103
  563    H    ASN  73           HN       ASN  73 -27.580   6.497  -6.394
  564    HA   ASN  73           HA       ASN  73 -28.959   7.233  -4.749
  565   1HB   ASN  73          HB2       ASN  73 -29.852   4.329  -4.732
  566   2HB   ASN  73          HB1       ASN  73 -30.646   5.614  -3.829
  567   1HD2  ASN  73          HD21      ASN  73 -29.312   6.160  -7.002
  568   2HD2  ASN  73          HD22      ASN  73 -30.822   6.319  -7.822
  569    H    GLY  74           HN       GLY  74 -26.411   6.971  -4.039
  570   1HA   GLY  74          HA2       GLY  74 -26.517   6.416  -1.292
  571   2HA   GLY  74          HA1       GLY  74 -25.717   5.086  -2.111
  572    H    GLN  75           HN       GLN  75 -24.125   6.128  -0.408
  573    HA   GLN  75           HA       GLN  75 -22.358   7.900  -1.953
  574   1HB   GLN  75          HB2       GLN  75 -22.916   8.123   1.009
  575   2HB   GLN  75          HB1       GLN  75 -21.742   9.080   0.116
  576   1HG   GLN  75          HG2       GLN  75 -24.722   9.093  -0.308
  577   2HG   GLN  75          HG1       GLN  75 -23.784  10.331   0.527
  578   1HE2  GLN  75          HE21      GLN  75 -25.489  10.511  -1.849
  579   2HE2  GLN  75          HE22      GLN  75 -24.487  11.161  -3.097
  580    H    VAL  76           HN       VAL  76 -20.253   7.342  -1.989
  581    HA   VAL  76           HA       VAL  76 -19.465   4.995  -0.390
  582    HB   VAL  76           HB       VAL  76 -18.130   6.007  -2.898
  583   1HG1  VAL  76          HG11      VAL  76 -16.723   4.700  -1.328
  584   2HG1  VAL  76          HG12      VAL  76 -16.963   3.895  -2.879
  585   3HG1  VAL  76          HG13      VAL  76 -17.870   3.368  -1.462
  586   1HG2  VAL  76          HG21      VAL  76 -20.372   5.275  -3.439
  587   2HG2  VAL  76          HG22      VAL  76 -20.125   3.776  -2.544
  588   3HG2  VAL  76          HG23      VAL  76 -19.203   4.088  -4.014
  589    H    GLU  77           HN       GLU  77 -18.428   5.645   1.404
  590    HA   GLU  77           HA       GLU  77 -16.929   8.068   1.555
  591   1HB   GLU  77          HB2       GLU  77 -17.991   7.257   3.547
  592   2HB   GLU  77          HB1       GLU  77 -17.178   5.705   3.420
  593   1HG   GLU  77          HG2       GLU  77 -15.028   6.815   3.835
  594   2HG   GLU  77          HG1       GLU  77 -15.875   8.352   4.015
  595    H    ILE  78           HN       ILE  78 -15.454   7.764  -0.235
  596    HA   ILE  78           HA       ILE  78 -13.376   5.737   0.124
  597    HB   ILE  78           HB       ILE  78 -14.164   7.506  -2.164
  598   1HG1  ILE  78          HG12      ILE  78 -15.264   5.363  -2.008
  599   2HG1  ILE  78          HG11      ILE  78 -14.135   5.321  -3.357
  600   1HG2  ILE  78          HG21      ILE  78 -11.567   5.982  -1.983
  601   2HG2  ILE  78          HG22      ILE  78 -11.738   7.738  -1.989
  602   3HG2  ILE  78          HG23      ILE  78 -12.192   6.804  -3.413
  603   1HD1  ILE  78          HD11      ILE  78 -12.524   4.125  -1.947
  604   2HD1  ILE  78          HD12      ILE  78 -14.046   3.252  -2.126
  605   3HD1  ILE  78          HD13      ILE  78 -13.701   4.125  -0.633
  606    H    LYS  79           HN       LYS  79 -11.170   6.233   0.330
  607    HA   LYS  79           HA       LYS  79 -10.183   8.887   0.323
  608   1HB   LYS  79          HB2       LYS  79  -9.727   9.137   2.725
  609   2HB   LYS  79          HB1       LYS  79 -11.449   9.105   2.379
  610   1HG   LYS  79          HG2       LYS  79  -9.845   6.787   3.447
  611   2HG   LYS  79          HG1       LYS  79 -10.867   7.854   4.402
  612   1HD   LYS  79          HD2       LYS  79 -12.779   7.134   2.937
  613   2HD   LYS  79          HD1       LYS  79 -11.691   5.916   2.256
  614   1HE   LYS  79          HE2       LYS  79 -12.729   6.154   5.058
  615   2HE   LYS  79          HE1       LYS  79 -12.841   4.798   3.943
  616   1HZ   LYS  79          HZ1       LYS  79 -10.463   4.466   4.149
  617   2HZ   LYS  79          HZ2       LYS  79 -11.217   4.370   5.660
  618   3HZ   LYS  79          HZ3       LYS  79 -10.354   5.761   5.232
  619    H    THR  80           HN       THR  80  -9.673   5.719   1.867
  620    HA   THR  80           HA       THR  80  -6.840   6.060   1.921
  621    HB   THR  80           HB       THR  80  -6.736   3.782   2.744
  622    HG1  THR  80           HG1      THR  80  -9.352   3.707   1.724
  623   1HG2  THR  80          HG21      THR  80  -7.681   4.238   4.789
  624   2HG2  THR  80          HG22      THR  80  -9.158   4.886   4.079
  625   3HG2  THR  80          HG23      THR  80  -7.685   5.854   4.076
  626    H    ASP  81           HN       ASP  81  -8.420   5.927  -0.779
  627    HA   ASP  81           HA       ASP  81  -7.931   5.178  -2.921
  628   1HB   ASP  81          HB2       ASP  81  -5.296   4.578  -1.600
  629   2HB   ASP  81          HB1       ASP  81  -5.569   4.602  -3.340
  630    H    LEU  82           HN       LEU  82  -8.523   3.224  -0.517
  631    HA   LEU  82           HA       LEU  82  -8.969   1.019  -0.225
  632   1HB   LEU  82          HB2       LEU  82  -8.645   0.985  -3.224
  633   2HB   LEU  82          HB1       LEU  82  -9.265  -0.360  -2.289
  634    HG   LEU  82           HG       LEU  82 -11.193   0.641  -3.122
  635   1HD1  LEU  82          HD11      LEU  82 -11.342   0.345  -0.697
  636   2HD1  LEU  82          HD12      LEU  82 -12.320   1.704  -1.251
  637   3HD1  LEU  82          HD13      LEU  82 -10.768   1.997  -0.464
  638   1HD2  LEU  82          HD21      LEU  82 -11.589   3.024  -3.255
  639   2HD2  LEU  82          HD22      LEU  82 -10.077   2.613  -4.066
  640   3HD2  LEU  82          HD23      LEU  82 -10.047   3.347  -2.463
  641    H    SER  83           HN       SER  83  -6.547   1.571   0.556
  642    HA   SER  83           HA       SER  83  -4.698  -0.245  -0.801
  643   1HB   SER  83          HB2       SER  83  -2.960   0.781   0.687
  644   2HB   SER  83          HB1       SER  83  -3.760   1.912  -0.404
  645    HG   SER  83           HG       SER  83  -4.716   1.518   2.219
  646    H    PHE  84           HN       PHE  84  -6.503  -1.787   0.350
  647    HA   PHE  84           HA       PHE  84  -6.851  -3.517   1.784
  648   1HB   PHE  84          HB2       PHE  84  -4.783  -4.327   0.870
  649   2HB   PHE  84          HB1       PHE  84  -3.847  -3.313   1.963
  650    HD1  PHE  84           HD1      PHE  84  -6.182  -6.186   1.860
  651    HD2  PHE  84           HD2      PHE  84  -3.221  -4.083   4.077
  652    HE1  PHE  84           HE1      PHE  84  -6.113  -8.019   3.500
  653    HE2  PHE  84           HE2      PHE  84  -3.145  -5.912   5.721
  654    HZ   PHE  84           HZ       PHE  84  -4.592  -7.884   5.432
  655    H    GLY  85           HN       GLY  85  -7.542  -3.822   3.823
  656   1HA   GLY  85          HA2       GLY  85  -7.686  -3.614   6.113
  657   2HA   GLY  85          HA1       GLY  85  -6.135  -2.789   6.098
  658    H    SER  86           HN       SER  86  -9.272  -2.025   4.592
  659    HA   SER  86           HA       SER  86  -9.501   0.305   6.312
  660   1HB   SER  86          HB2       SER  86  -9.915   1.804   4.350
  661   2HB   SER  86          HB1       SER  86  -8.248   1.238   4.484
  662    HG   SER  86           HG       SER  86  -9.107  -0.526   2.997
  663    H    GLN  87           HN       GLN  87 -11.524   1.221   6.407
  664    HA   GLN  87           HA       GLN  87 -13.674  -0.476   5.329
  665   1HB   GLN  87          HB2       GLN  87 -13.779  -0.789   7.642
  666   2HB   GLN  87          HB1       GLN  87 -13.360   0.883   7.986
  667   1HG   GLN  87          HG2       GLN  87 -15.888   0.482   6.539
  668   2HG   GLN  87          HG1       GLN  87 -15.842  -0.124   8.195
  669   1HE2  GLN  87          HE21      GLN  87 -13.826   2.519   7.348
  670   2HE2  GLN  87          HE22      GLN  87 -14.729   3.758   8.134
  671    H    ILE  88           HN       ILE  88 -15.194   0.466   4.104
  672    HA   ILE  88           HA       ILE  88 -15.367   3.400   4.114
  673    HB   ILE  88           HB       ILE  88 -15.742   3.340   1.648
  674   1HG1  ILE  88          HG12      ILE  88 -14.624   0.537   1.880
  675   2HG1  ILE  88          HG11      ILE  88 -16.291   0.930   1.472
  676   1HG2  ILE  88          HG21      ILE  88 -13.308   3.005   1.103
  677   2HG2  ILE  88          HG22      ILE  88 -13.091   2.466   2.770
  678   3HG2  ILE  88          HG23      ILE  88 -13.644   4.107   2.438
  679   1HD1  ILE  88          HD11      ILE  88 -15.439   2.145  -0.523
  680   2HD1  ILE  88          HD12      ILE  88 -15.136   0.408  -0.536
  681   3HD1  ILE  88          HD13      ILE  88 -13.832   1.529  -0.143
  682    H    GLU  89           HN       GLU  89 -17.230   3.524   5.223
  683    HA   GLU  89           HA       GLU  89 -19.443   1.846   5.020
  684   1HB   GLU  89          HB2       GLU  89 -19.964   4.709   5.591
  685   2HB   GLU  89          HB1       GLU  89 -20.482   3.273   6.464
  686   1HG   GLU  89          HG2       GLU  89 -18.218   3.033   7.378
  687   2HG   GLU  89          HG1       GLU  89 -17.742   4.507   6.535
  688    H    PHE  90           HN       PHE  90 -21.656   2.689   4.367
  689    HA   PHE  90           HA       PHE  90 -21.589   4.159   1.830
  690   1HB   PHE  90          HB2       PHE  90 -23.162   1.608   2.233
  691   2HB   PHE  90          HB1       PHE  90 -22.986   2.521   0.742
  692    HD1  PHE  90           HD1      PHE  90 -21.419   0.146   3.022
  693    HD2  PHE  90           HD2      PHE  90 -20.933   2.386  -0.575
  694    HE1  PHE  90           HE1      PHE  90 -19.517  -1.278   2.389
  695    HE2  PHE  90           HE2      PHE  90 -19.036   0.961  -1.210
  696    HZ   PHE  90           HZ       PHE  90 -18.322  -0.872   0.274
  697    H    SER  91           HN       SER  91 -23.449   5.425   1.477
  698    HA   SER  91           HA       SER  91 -25.513   5.257   3.570
  699   1HB   SER  91          HB2       SER  91 -24.226   7.779   2.515
  700   2HB   SER  91          HB1       SER  91 -25.621   7.735   3.592
  701    HG   SER  91           HG       SER  91 -23.681   8.001   4.757
  702    H    CYS  92           HN       CYS  92 -27.426   4.884   2.746
  703    HA   CYS  92           HA       CYS  92 -27.930   5.407  -0.061
  704   1HB   CYS  92          HB2       CYS  92 -29.690   4.217   2.096
  705   2HB   CYS  92          HB1       CYS  92 -30.207   4.454   0.430
  706    H    SER  93           HN       SER  93 -28.901   7.117  -0.876
  707    HA   SER  93           HA       SER  93 -29.115   9.525   0.338
  708   1HB   SER  93          HB2       SER  93 -30.707   8.451  -1.983
  709   2HB   SER  93          HB1       SER  93 -30.711  10.150  -1.508
  710    HG   SER  93           HG       SER  93 -28.702  10.368  -2.208
  711    H    GLU  94           HN       GLU  94 -31.180  10.888   0.298
  712    HA   GLU  94           HA       GLU  94 -32.652  10.643   2.554
  713   1HB   GLU  94          HB2       GLU  94 -32.781  12.657   1.330
  714   2HB   GLU  94          HB1       GLU  94 -33.394  11.836  -0.099
  715   1HG   GLU  94          HG2       GLU  94 -35.508  11.495   0.887
  716   2HG   GLU  94          HG1       GLU  94 -34.921  11.966   2.481
  717    H    GLY  95           HN       GLY  95 -34.377   9.957  -0.459
  718   1HA   GLY  95          HA2       GLY  95 -36.361   8.488   0.973
  719   2HA   GLY  95          HA1       GLY  95 -36.248   8.656  -0.765
  720    H    PHE  96           HN       PHE  96 -33.566   7.358   1.060
  721    HA   PHE  96           HA       PHE  96 -34.398   4.596   0.579
  722   1HB   PHE  96          HB2       PHE  96 -31.797   5.676  -0.527
  723   2HB   PHE  96          HB1       PHE  96 -32.456   4.059  -0.741
  724    HD1  PHE  96           HD1      PHE  96 -34.422   3.714  -2.198
  725    HD2  PHE  96           HD2      PHE  96 -32.456   7.478  -1.922
  726    HE1  PHE  96           HE1      PHE  96 -35.527   4.436  -4.270
  727    HE2  PHE  96           HE2      PHE  96 -33.555   8.207  -4.001
  728    HZ   PHE  96           HZ       PHE  96 -35.093   6.686  -5.178
  729    H    PHE  97           HN       PHE  97 -33.046   3.027   1.554
  730    HA   PHE  97           HA       PHE  97 -31.203   4.041   3.595
  731   1HB   PHE  97          HB2       PHE  97 -32.089   2.432   5.234
  732   2HB   PHE  97          HB1       PHE  97 -33.305   3.603   4.747
  733    HD1  PHE  97           HD1      PHE  97 -32.405   0.121   4.903
  734    HD2  PHE  97           HD2      PHE  97 -35.115   2.921   3.188
  735    HE1  PHE  97           HE1      PHE  97 -33.967  -1.708   4.385
  736    HE2  PHE  97           HE2      PHE  97 -36.677   1.094   2.663
  737    HZ   PHE  97           HZ       PHE  97 -36.106  -1.224   3.265
  738    H    LEU  98           HN       LEU  98 -29.904   2.210   4.547
  739    HA   LEU  98           HA       LEU  98 -28.787   0.791   2.278
  740   1HB   LEU  98          HB2       LEU  98 -27.422   2.126   3.911
  741   2HB   LEU  98          HB1       LEU  98 -27.721   0.856   5.083
  742    HG   LEU  98           HG       LEU  98 -26.579   0.099   2.435
  743   1HD1  LEU  98          HD11      LEU  98 -25.121   1.853   2.866
  744   2HD1  LEU  98          HD12      LEU  98 -24.299   0.447   3.545
  745   3HD1  LEU  98          HD13      LEU  98 -25.144   1.575   4.607
  746   1HD2  LEU  98          HD21      LEU  98 -26.295  -0.897   5.260
  747   2HD2  LEU  98          HD22      LEU  98 -25.384  -1.533   3.890
  748   3HD2  LEU  98          HD23      LEU  98 -27.142  -1.677   3.925
  749    H    ILE  99           HN       ILE  99 -28.520  -1.306   2.053
  750    HA   ILE  99           HA       ILE  99 -29.203  -3.278   4.070
  751    HB   ILE  99           HB       ILE  99 -30.542  -3.621   1.418
  752   1HG1  ILE  99          HG12      ILE  99 -32.020  -2.301   3.668
  753   2HG1  ILE  99          HG11      ILE  99 -31.151  -1.339   2.478
  754   1HG2  ILE  99          HG21      ILE  99 -30.534  -5.518   2.840
  755   2HG2  ILE  99          HG22      ILE  99 -32.172  -4.865   2.862
  756   3HG2  ILE  99          HG23      ILE  99 -31.086  -4.569   4.219
  757   1HD1  ILE  99          HD11      ILE  99 -32.480  -2.340   0.695
  758   2HD1  ILE  99          HD12      ILE  99 -33.485  -1.519   1.889
  759   3HD1  ILE  99          HD13      ILE  99 -33.371  -3.280   1.893
  760    H    GLY 100           HN       GLY 100 -26.972  -3.517   3.752
  761   1HA   GLY 100          HA2       GLY 100 -26.122  -5.664   2.275
  762   2HA   GLY 100          HA1       GLY 100 -25.806  -4.265   1.260
  763    H    SER 101           HN       SER 101 -25.574  -4.824   4.734
  764    HA   SER 101           HA       SER 101 -23.948  -4.383   6.255
  765   1HB   SER 101          HB2       SER 101 -21.734  -5.187   5.765
  766   2HB   SER 101          HB1       SER 101 -22.881  -6.265   4.972
  767    HG   SER 101           HG       SER 101 -21.386  -5.826   3.449
  768    H    THR 102           HN       THR 102 -23.913  -2.301   6.820
  769    HA   THR 102           HA       THR 102 -23.331  -0.166   5.068
  770    HB   THR 102           HB       THR 102 -23.263   1.259   7.079
  771    HG1  THR 102           HG1      THR 102 -22.334  -0.686   8.333
  772   1HG2  THR 102          HG21      THR 102 -25.495  -0.775   7.040
  773   2HG2  THR 102          HG22      THR 102 -25.440   0.753   6.161
  774   3HG2  THR 102          HG23      THR 102 -25.543   0.753   7.922
  775    H    THR 103           HN       THR 103 -21.253  -2.405   6.316
  776    HA   THR 103           HA       THR 103 -19.033  -0.493   6.140
  777    HB   THR 103           HB       THR 103 -17.784  -2.165   7.567
  778    HG1  THR 103           HG1      THR 103 -18.856  -3.888   8.146
  779   1HG2  THR 103          HG21      THR 103 -18.303  -0.117   8.558
  780   2HG2  THR 103          HG22      THR 103 -18.975  -1.305   9.678
  781   3HG2  THR 103          HG23      THR 103 -20.033  -0.456   8.550
  782    H    SER 104           HN       SER 104 -17.060  -1.310   5.238
  783    HA   SER 104           HA       SER 104 -17.183  -3.838   3.829
  784   1HB   SER 104          HB2       SER 104 -16.380  -2.703   1.720
  785   2HB   SER 104          HB1       SER 104 -18.059  -2.362   2.133
  786    HG   SER 104           HG       SER 104 -17.143  -0.431   3.214
  787    H    ARG 105           HN       ARG 105 -15.391  -4.811   4.401
  788    HA   ARG 105           HA       ARG 105 -13.022  -3.215   5.117
  789   1HB   ARG 105          HB2       ARG 105 -13.680  -6.100   5.736
  790   2HB   ARG 105          HB1       ARG 105 -12.230  -5.256   6.259
  791   1HG   ARG 105          HG2       ARG 105 -13.685  -3.661   7.497
  792   2HG   ARG 105          HG1       ARG 105 -15.064  -4.679   7.079
  793   1HD   ARG 105          HD2       ARG 105 -12.638  -5.528   8.656
  794   2HD   ARG 105          HD1       ARG 105 -14.246  -5.214   9.310
  795    HE   ARG 105           HE       ARG 105 -14.517  -7.151   7.335
  796   1HH1  ARG 105          HH11      ARG 105 -12.965  -6.805  10.437
  797   2HH1  ARG 105          HH12      ARG 105 -13.086  -8.489  10.827
  798   1HH2  ARG 105          HH21      ARG 105 -14.678  -9.365   7.841
  799   2HH2  ARG 105          HH22      ARG 105 -14.058  -9.943   9.352
  800    H    CYS 106           HN       CYS 106 -10.927  -3.921   4.481
  801    HA   CYS 106           HA       CYS 106 -10.945  -5.188   1.836
  802   1HB   CYS 106          HB2       CYS 106  -9.462  -2.972   3.026
  803   2HB   CYS 106          HB1       CYS 106  -8.421  -4.125   2.196
  804    H    GLU 107           HN       GLU 107 -10.355  -7.220   1.748
  805    HA   GLU 107           HA       GLU 107  -8.258  -8.190   3.563
  806   1HB   GLU 107          HB2       GLU 107 -10.703  -8.895   4.127
  807   2HB   GLU 107          HB1       GLU 107 -10.552  -9.945   2.725
  808   1HG   GLU 107          HG2       GLU 107 -10.073 -11.150   4.767
  809   2HG   GLU 107          HG1       GLU 107  -8.638 -11.050   3.749
  810    H    VAL 108           HN       VAL 108  -7.841 -10.655   2.619
  811    HA   VAL 108           HA       VAL 108  -7.419 -10.287  -0.269
  812    HB   VAL 108           HB       VAL 108  -5.487 -11.536   1.688
  813   1HG1  VAL 108          HG11      VAL 108  -5.195 -11.176  -1.295
  814   2HG1  VAL 108          HG12      VAL 108  -5.509 -12.715  -0.489
  815   3HG1  VAL 108          HG13      VAL 108  -3.995 -11.858  -0.195
  816   1HG2  VAL 108          HG21      VAL 108  -4.076  -9.671   1.211
  817   2HG2  VAL 108          HG22      VAL 108  -5.670  -9.034   1.618
  818   3HG2  VAL 108          HG23      VAL 108  -5.156  -9.112  -0.067
  819    H    GLN 109           HN       GLN 109  -6.982 -12.414  -1.403
  820    HA   GLN 109           HA       GLN 109  -8.095 -14.767  -0.295
  821   1HB   GLN 109          HB2       GLN 109 -10.105 -14.935  -1.765
  822   2HB   GLN 109          HB1       GLN 109 -10.224 -13.700  -0.520
  823   1HG   GLN 109          HG2       GLN 109  -9.704 -11.980  -2.155
  824   2HG   GLN 109          HG1       GLN 109  -9.539 -13.208  -3.408
  825   1HE2  GLN 109          HE21      GLN 109 -11.776 -11.558  -1.287
  826   2HE2  GLN 109          HE22      GLN 109 -13.211 -11.973  -2.157
  827    H    ASP 110           HN       ASP 110  -5.809 -13.905  -1.774
  828    HA   ASP 110           HA       ASP 110  -5.297 -16.080  -3.364
  829   1HB   ASP 110          HB2       ASP 110  -7.051 -15.208  -4.877
  830   2HB   ASP 110          HB1       ASP 110  -6.135 -13.716  -5.058
  831    H    ARG 111           HN       ARG 111  -4.628 -12.986  -4.762
  832    HA   ARG 111           HA       ARG 111  -2.133 -12.635  -3.370
  833   1HB   ARG 111          HB2       ARG 111  -2.227 -13.197  -6.320
  834   2HB   ARG 111          HB1       ARG 111  -0.823 -12.548  -5.493
  835   1HG   ARG 111          HG2       ARG 111  -2.022 -15.122  -4.574
  836   2HG   ARG 111          HG1       ARG 111  -0.991 -15.092  -6.006
  837   1HD   ARG 111          HD2       ARG 111   0.347 -15.618  -4.074
  838   2HD   ARG 111          HD1       ARG 111   0.783 -14.016  -4.669
  839    HE   ARG 111           HE       ARG 111  -1.183 -13.812  -2.647
  840   1HH1  ARG 111          HH11      ARG 111   2.203 -14.488  -3.124
  841   2HH1  ARG 111          HH12      ARG 111   2.666 -13.942  -1.547
  842   1HH2  ARG 111          HH21      ARG 111  -0.580 -13.093  -0.566
  843   2HH2  ARG 111          HH22      ARG 111   1.085 -13.149  -0.093
  844    H    GLY 112           HN       GLY 112  -4.758 -11.573  -5.179
  845   1HA   GLY 112          HA2       GLY 112  -3.634  -8.850  -5.356
  846   2HA   GLY 112          HA1       GLY 112  -4.876  -9.475  -6.431
  847    H    VAL 113           HN       VAL 113  -4.921 -10.180  -3.058
  848    HA   VAL 113           HA       VAL 113  -6.413  -9.749  -1.398
  849    HB   VAL 113           HB       VAL 113  -5.993  -7.716  -0.672
  850   1HG1  VAL 113          HG11      VAL 113  -4.317  -7.726  -2.570
  851   2HG1  VAL 113          HG12      VAL 113  -4.752  -6.159  -1.882
  852   3HG1  VAL 113          HG13      VAL 113  -5.451  -6.672  -3.421
  853   1HG2  VAL 113          HG21      VAL 113  -7.878  -6.796  -2.827
  854   2HG2  VAL 113          HG22      VAL 113  -7.248  -5.759  -1.548
  855   3HG2  VAL 113          HG23      VAL 113  -8.260  -7.147  -1.140
  856    H    GLY 114           HN       GLY 114  -8.563  -9.551  -0.796
  857   1HA   GLY 114          HA2       GLY 114 -10.374  -9.545  -3.111
  858   2HA   GLY 114          HA1       GLY 114 -10.564 -10.601  -1.722
  859    H    TRP 115           HN       TRP 115 -12.361  -8.508  -2.918
  860    HA   TRP 115           HA       TRP 115 -12.527  -6.549  -0.792
  861   1HB   TRP 115          HB2       TRP 115 -13.389  -6.605  -3.496
  862   2HB   TRP 115          HB1       TRP 115 -14.827  -6.472  -2.497
  863    HD1  TRP 115           HD1      TRP 115 -12.779  -4.274  -4.313
  864    HE1  TRP 115           HE1      TRP 115 -12.623  -1.928  -3.268
  865    HE3  TRP 115           HE3      TRP 115 -14.459  -5.361   0.389
  866    HZ2  TRP 115           HZ2      TRP 115 -13.141  -0.700  -0.786
  867    HZ3  TRP 115           HZ3      TRP 115 -14.594  -3.544   2.039
  868    HH2  TRP 115           HH2      TRP 115 -13.949  -1.263   1.464
  869    H    SER 116           HN       SER 116 -13.861  -6.678   0.917
  870    HA   SER 116           HA       SER 116 -15.222  -9.096   1.468
  871   1HB   SER 116          HB2       SER 116 -15.381  -6.406   2.849
  872   2HB   SER 116          HB1       SER 116 -16.058  -7.906   3.486
  873    HG   SER 116           HG       SER 116 -13.629  -8.535   2.950
  874    H    HIS 117           HN       HIS 117 -16.355  -5.858   0.528
  875    HA   HIS 117           HA       HIS 117 -18.629  -6.880  -0.816
  876   1HB   HIS 117          HB2       HIS 117 -19.356  -7.187   1.564
  877   2HB   HIS 117          HB1       HIS 117 -19.250  -5.441   1.768
  878    HD1  HIS 117           HD1      HIS 117 -21.111  -4.009   0.739
  879    HD2  HIS 117           HD2      HIS 117 -21.537  -8.078   0.015
  880    HE1  HIS 117           HE1      HIS 117 -23.434  -4.288  -0.182
  881    HE2  HIS 117           HE2      HIS 117 -23.707  -6.771  -0.508
  882    HA   PRO 118           HA       PRO 118 -18.190  -2.697  -2.304
  883   1HB   PRO 118          HB2       PRO 118 -19.582  -3.022  -4.576
  884   2HB   PRO 118          HB1       PRO 118 -18.006  -3.781  -4.337
  885   1HG   PRO 118          HG2       PRO 118 -20.693  -4.996  -4.362
  886   2HG   PRO 118          HG1       PRO 118 -19.119  -5.740  -4.683
  887   1HD   PRO 118          HD2       PRO 118 -20.655  -5.798  -2.255
  888   2HD   PRO 118          HD1       PRO 118 -19.089  -6.568  -2.581
  889    H    LEU 119           HN       LEU 119 -20.203  -1.534  -3.908
  890    HA   LEU 119           HA       LEU 119 -21.800  -0.126  -2.221
  891   1HB   LEU 119          HB2       LEU 119 -22.940  -0.964  -4.851
  892   2HB   LEU 119          HB1       LEU 119 -22.966   0.598  -4.070
  893    HG   LEU 119           HG       LEU 119 -21.546   0.943  -5.857
  894   1HD1  LEU 119          HD11      LEU 119 -19.276   1.154  -4.949
  895   2HD1  LEU 119          HD12      LEU 119 -19.768   0.188  -3.556
  896   3HD1  LEU 119          HD13      LEU 119 -20.514   1.760  -3.849
  897   1HD2  LEU 119          HD21      LEU 119 -19.844  -0.582  -6.628
  898   2HD2  LEU 119          HD22      LEU 119 -21.400  -1.408  -6.545
  899   3HD2  LEU 119          HD23      LEU 119 -20.189  -1.679  -5.292
  900    HA   PRO 120           HA       PRO 120 -24.719  -3.190  -0.759
  901   1HB   PRO 120          HB2       PRO 120 -26.153  -1.601   0.849
  902   2HB   PRO 120          HB1       PRO 120 -24.487  -2.042   1.248
  903   1HG   PRO 120          HG2       PRO 120 -25.530   0.476  -0.006
  904   2HG   PRO 120          HG1       PRO 120 -24.348   0.292   1.302
  905   1HD   PRO 120          HD2       PRO 120 -23.650   0.729  -1.300
  906   2HD   PRO 120          HD1       PRO 120 -22.628  -0.159  -0.153
  907    H    GLN 121           HN       GLN 121 -27.336  -2.742  -0.214
  908    HA   GLN 121           HA       GLN 121 -28.457  -2.106  -2.838
  909   1HB   GLN 121          HB2       GLN 121 -29.501  -3.681  -0.483
  910   2HB   GLN 121          HB1       GLN 121 -30.450  -3.326  -1.910
  911   1HG   GLN 121          HG2       GLN 121 -27.818  -4.722  -2.115
  912   2HG   GLN 121          HG1       GLN 121 -29.300  -5.603  -1.744
  913   1HE2  GLN 121          HE21      GLN 121 -29.291  -6.769  -3.624
  914   2HE2  GLN 121          HE22      GLN 121 -29.609  -6.067  -5.172
  915    H    CYS 122           HN       CYS 122 -29.330  -0.112  -3.045
  916    HA   CYS 122           HA       CYS 122 -30.411   1.166  -0.635
  917   1HB   CYS 122          HB2       CYS 122 -29.461   2.287  -3.266
  918   2HB   CYS 122          HB1       CYS 122 -30.388   3.248  -2.118
  919    H    GLU 123           HN       GLU 123 -32.489   0.699  -0.364
  920    HA   GLU 123           HA       GLU 123 -34.333   0.864  -2.673
  921   1HB   GLU 123          HB2       GLU 123 -34.122  -1.434  -1.784
  922   2HB   GLU 123          HB1       GLU 123 -34.547  -0.842  -0.184
  923   1HG   GLU 123          HG2       GLU 123 -36.735  -0.140  -1.037
  924   2HG   GLU 123          HG1       GLU 123 -36.308  -0.779  -2.624
  925    H    ILE 124           HN       ILE 124 -36.142   1.997  -2.430
  926    HA   ILE 124           HA       ILE 124 -36.122   4.235  -0.787
  927    HB   ILE 124           HB       ILE 124 -37.406   4.030  -2.896
  928   1HG1  ILE 124          HG12      ILE 124 -39.210   4.786  -0.602
  929   2HG1  ILE 124          HG11      ILE 124 -37.844   5.775  -1.101
  930   1HG2  ILE 124          HG21      ILE 124 -39.165   2.280  -1.197
  931   2HG2  ILE 124          HG22      ILE 124 -38.388   1.885  -2.731
  932   3HG2  ILE 124          HG23      ILE 124 -39.721   3.039  -2.689
  933   1HD1  ILE 124          HD11      ILE 124 -40.213   5.045  -2.805
  934   2HD1  ILE 124          HD12      ILE 124 -38.838   6.027  -3.313
  935   3HD1  ILE 124          HD13      ILE 124 -39.914   6.606  -2.040
  936    H    LEU 125           HN       LEU 125 -37.277   4.853   1.012
  937    HA   LEU 125           HA       LEU 125 -38.224   2.642   2.699
  938   1HB   LEU 125          HB2       LEU 125 -37.958   4.779   4.383
  939   2HB   LEU 125          HB1       LEU 125 -36.759   3.524   4.141
  940    HG   LEU 125           HG       LEU 125 -35.824   5.041   2.283
  941   1HD1  LEU 125          HD11      LEU 125 -36.289   7.389   2.473
  942   2HD1  LEU 125          HD12      LEU 125 -37.385   7.105   3.824
  943   3HD1  LEU 125          HD13      LEU 125 -37.805   6.528   2.213
  944   1HD2  LEU 125          HD21      LEU 125 -35.657   5.805   5.193
  945   2HD2  LEU 125          HD22      LEU 125 -34.551   6.367   3.941
  946   3HD2  LEU 125          HD23      LEU 125 -34.635   4.650   4.336
  947    H    GLU 126           HN       GLU 126 -40.259   2.613   3.456
  948    HA   GLU 126           HA       GLU 126 -42.449   3.141   3.747
  949   1HB   GLU 126          HB2       GLU 126 -41.521   6.009   3.501
  950   2HB   GLU 126          HB1       GLU 126 -43.070   5.473   4.139
  951   1HG   GLU 126          HG2       GLU 126 -40.353   4.982   5.336
  952   2HG   GLU 126          HG1       GLU 126 -41.610   6.056   5.952
  953    H    HIS 127           HN       HIS 127 -43.590   2.434   2.067
  954    HA   HIS 127           HA       HIS 127 -44.772   2.419   0.127
  955   1HB   HIS 127          HB2       HIS 127 -44.103   5.368   0.027
  956   2HB   HIS 127          HB1       HIS 127 -45.319   4.557  -0.953
  957    HD1  HIS 127           HD1      HIS 127 -44.780   6.104   2.339
  958    HD2  HIS 127           HD2      HIS 127 -47.607   3.651   0.535
  959    HE1  HIS 127           HE1      HIS 127 -46.795   6.181   3.843
  960    HE2  HIS 127           HE2      HIS 127 -48.496   4.694   2.728
  961    H    HIS 128           HN       HIS 128 -44.002   1.392  -1.583
  962    HA   HIS 128           HA       HIS 128 -41.525   2.386  -2.824
  963   1HB   HIS 128          HB2       HIS 128 -41.285   0.048  -3.702
  964   2HB   HIS 128          HB1       HIS 128 -41.197   0.178  -1.949
  965    HD1  HIS 128           HD1      HIS 128 -42.694  -1.327  -0.662
  966    HD2  HIS 128           HD2      HIS 128 -43.920  -0.905  -4.610
  967    HE1  HIS 128           HE1      HIS 128 -44.590  -2.953  -0.955
  968    HE2  HIS 128           HE2      HIS 128 -45.345  -2.649  -3.339
  969    H    HIS 129           HN       HIS 129 -41.494   1.225  -5.220
  970    HA   HIS 129           HA       HIS 129 -44.029   1.692  -6.573
  971   1HB   HIS 129          HB2       HIS 129 -42.982   3.916  -6.493
  972   2HB   HIS 129          HB1       HIS 129 -41.531   3.262  -7.248
  973    HD1  HIS 129           HD1      HIS 129 -45.057   4.263  -8.008
  974    HD2  HIS 129           HD2      HIS 129 -41.685   2.886 -10.008
  975    HE1  HIS 129           HE1      HIS 129 -45.547   4.587 -10.453
  976    HE2  HIS 129           HE2      HIS 129 -43.468   3.802 -11.642
  977    H    HIS 130           HN       HIS 130 -44.111   0.836  -8.697
  978    HA   HIS 130           HA       HIS 130 -42.180  -1.309  -9.131
  979   1HB   HIS 130          HB2       HIS 130 -44.796  -0.737 -10.541
  980   2HB   HIS 130          HB1       HIS 130 -43.811  -2.184 -10.734
  981    HD1  HIS 130           HD1      HIS 130 -46.200  -0.533  -8.387
  982    HD2  HIS 130           HD2      HIS 130 -44.004  -4.050  -8.653
  983    HE1  HIS 130           HE1      HIS 130 -47.110  -2.031  -6.584
  984    HE2  HIS 130           HE2      HIS 130 -45.686  -4.106  -6.689
  985    H    HIS 131           HN       HIS 131 -40.456  -0.837 -10.326
  986    HA   HIS 131           HA       HIS 131 -40.769   0.206 -12.980
  987   1HB   HIS 131          HB2       HIS 131 -39.344   2.162 -12.737
  988   2HB   HIS 131          HB1       HIS 131 -40.734   2.300 -11.664
  989    HD1  HIS 131           HD1      HIS 131 -37.030   1.594 -11.583
  990    HD2  HIS 131           HD2      HIS 131 -40.134   2.547  -8.989
  991    HE1  HIS 131           HE1      HIS 131 -35.932   2.097  -9.377
  992    HE2  HIS 131           HE2      HIS 131 -37.821   2.774  -7.853
  993    H    HIS 132           HN       HIS 132 -39.319  -1.734 -10.810
  994    HA   HIS 132           HA       HIS 132 -36.700  -1.795 -12.102
  995   1HB   HIS 132          HB2       HIS 132 -36.674  -1.907  -9.686
  996   2HB   HIS 132          HB1       HIS 132 -37.792  -3.268  -9.697
  997    HD1  HIS 132           HD1      HIS 132 -36.757  -5.519  -9.617
  998    HD2  HIS 132           HD2      HIS 132 -34.075  -2.619 -10.904
  999    HE1  HIS 132           HE1      HIS 132 -34.542  -6.691  -9.808
 1000    HE2  HIS 132           HE2      HIS 132 -32.913  -4.892 -10.485
  Start of MODEL   28
    1   1H    MET   0           HT1      MET   0  34.815  -2.176  -2.104
    2   2H    MET   0           HT2      MET   0  34.820  -3.827  -1.741
    3   3H    MET   0           HT3      MET   0  33.538  -2.852  -1.225
    4    HA   MET   0           HA       MET   0  34.224  -3.416  -4.049
    5   1HB   MET   0          HB2       MET   0  32.025  -4.509  -2.287
    6   2HB   MET   0          HB1       MET   0  32.093  -4.721  -4.031
    7   1HG   MET   0          HG2       MET   0  34.291  -5.854  -3.732
    8   2HG   MET   0          HG1       MET   0  34.032  -5.775  -1.991
    9   1HE   MET   0          HE1       MET   0  31.333  -8.141  -4.891
   10   2HE   MET   0          HE2       MET   0  32.728  -7.188  -5.395
   11   3HE   MET   0          HE3       MET   0  31.291  -6.382  -4.768
   12    H    ASN   1           HN       ASN   1  31.848  -2.096  -1.759
   13    HA   ASN   1           HA       ASN   1  30.408  -0.346  -1.904
   14   1HB   ASN   1          HB2       ASN   1  32.546   0.348  -3.776
   15   2HB   ASN   1          HB1       ASN   1  31.001   1.088  -4.187
   16   1HD2  ASN   1          HD21      ASN   1  29.984   1.334  -1.596
   17   2HD2  ASN   1          HD22      ASN   1  30.891   2.546  -0.764
   18    H    CYS   2           HN       CYS   2  28.478   0.309  -2.970
   19    HA   CYS   2           HA       CYS   2  27.638  -1.606  -5.034
   20   1HB   CYS   2          HB2       CYS   2  25.917   0.089  -3.216
   21   2HB   CYS   2          HB1       CYS   2  25.353  -1.160  -4.322
   22    H    GLY   3           HN       GLY   3  25.860  -0.712  -6.514
   23   1HA   GLY   3          HA2       GLY   3  26.864   1.686  -7.767
   24   2HA   GLY   3          HA1       GLY   3  25.530   0.689  -8.336
   25    HA   PRO   4           HA       PRO   4  24.207   4.933  -6.384
   26   1HB   PRO   4          HB2       PRO   4  22.686   4.736  -8.958
   27   2HB   PRO   4          HB1       PRO   4  23.312   6.169  -8.130
   28   1HG   PRO   4          HG2       PRO   4  24.597   5.172 -10.232
   29   2HG   PRO   4          HG1       PRO   4  25.498   5.777  -8.830
   30   1HD   PRO   4          HD2       PRO   4  24.993   2.970  -9.694
   31   2HD   PRO   4          HD1       PRO   4  26.397   3.661  -8.853
   32    HA   PRO   5           HA       PRO   5  21.011   2.496  -4.403
   33   1HB   PRO   5          HB2       PRO   5  20.027   5.283  -3.919
   34   2HB   PRO   5          HB1       PRO   5  20.128   3.918  -2.800
   35   1HG   PRO   5          HG2       PRO   5  21.954   5.841  -2.726
   36   2HG   PRO   5          HG1       PRO   5  22.425   4.140  -2.533
   37   1HD   PRO   5          HD2       PRO   5  22.784   5.955  -4.869
   38   2HD   PRO   5          HD1       PRO   5  23.806   4.615  -4.313
   39    HA   PRO   6           HA       PRO   6  18.050   2.506  -7.757
   40   1HB   PRO   6          HB2       PRO   6  16.609   0.596  -6.040
   41   2HB   PRO   6          HB1       PRO   6  17.269   0.364  -7.657
   42   1HG   PRO   6          HG2       PRO   6  18.379  -0.790  -5.502
   43   2HG   PRO   6          HG1       PRO   6  19.357  -0.223  -6.870
   44   1HD   PRO   6          HD2       PRO   6  18.894   1.058  -4.205
   45   2HD   PRO   6          HD1       PRO   6  20.390   0.942  -5.156
   46    H    THR   7           HN       THR   7  15.643   2.441  -7.834
   47    HA   THR   7           HA       THR   7  14.538   4.478  -6.017
   48    HB   THR   7           HB       THR   7  13.410   3.593  -8.677
   49    HG1  THR   7           HG1      THR   7  14.735   6.037  -8.441
   50   1HG2  THR   7          HG21      THR   7  12.959   6.055  -6.984
   51   2HG2  THR   7          HG22      THR   7  11.823   4.725  -7.212
   52   3HG2  THR   7          HG23      THR   7  12.249   5.764  -8.571
   53    H    LEU   8           HN       LEU   8  14.384   2.396  -4.519
   54    HA   LEU   8           HA       LEU   8  12.877   0.154  -5.135
   55   1HB   LEU   8          HB2       LEU   8  13.047   1.624  -2.500
   56   2HB   LEU   8          HB1       LEU   8  12.466  -0.016  -2.708
   57    HG   LEU   8           HG       LEU   8  14.808  -0.519  -3.665
   58   1HD1  LEU   8          HD11      LEU   8  15.529   1.796  -3.943
   59   2HD1  LEU   8          HD12      LEU   8  16.593   0.924  -2.839
   60   3HD1  LEU   8          HD13      LEU   8  15.395   2.052  -2.203
   61   1HD2  LEU   8          HD21      LEU   8  14.160  -1.447  -1.584
   62   2HD2  LEU   8          HD22      LEU   8  14.292   0.112  -0.771
   63   3HD2  LEU   8          HD23      LEU   8  15.745  -0.712  -1.338
   64    H    SER   9           HN       SER   9  10.836   0.005  -5.813
   65    HA   SER   9           HA       SER   9   9.074   2.259  -5.627
   66   1HB   SER   9          HB2       SER   9   7.529   0.917  -6.951
   67   2HB   SER   9          HB1       SER   9   9.152   0.801  -7.630
   68    HG   SER   9           HG       SER   9   8.928  -1.266  -7.415
   69    H    PHE  10           HN       PHE  10   9.882   0.357  -3.229
   70    HA   PHE  10           HA       PHE  10   7.131   0.243  -2.205
   71   1HB   PHE  10          HB2       PHE  10   7.655  -1.696  -0.885
   72   2HB   PHE  10          HB1       PHE  10   8.069  -2.025  -2.560
   73    HD1  PHE  10           HD1      PHE  10   9.238  -1.853   0.818
   74    HD2  PHE  10           HD2      PHE  10  10.481  -1.936  -3.249
   75    HE1  PHE  10           HE1      PHE  10  11.493  -2.533   1.527
   76    HE2  PHE  10           HE2      PHE  10  12.739  -2.616  -2.549
   77    HZ   PHE  10           HZ       PHE  10  13.246  -2.916  -0.158
   78    H    ALA  11           HN       ALA  11   9.926   1.866  -2.013
   79    HA   ALA  11           HA       ALA  11   9.246   3.051   0.548
   80   1HB   ALA  11          HB1       ALA  11  11.515   2.765   1.437
   81   2HB   ALA  11          HB2       ALA  11  11.917   1.736   0.062
   82   3HB   ALA  11          HB3       ALA  11  10.692   1.220   1.221
   83    H    ALA  12           HN       ALA  12  10.295   5.063   0.837
   84    HA   ALA  12           HA       ALA  12  11.696   6.092  -1.543
   85   1HB   ALA  12          HB1       ALA  12   9.798   7.600   0.259
   86   2HB   ALA  12          HB2       ALA  12   9.432   7.003  -1.360
   87   3HB   ALA  12          HB3       ALA  12  10.647   8.261  -1.138
   88    HA   PRO  13           HA       PRO  13  15.204   6.964   1.017
   89   1HB   PRO  13          HB2       PRO  13  15.346   9.482  -0.573
   90   2HB   PRO  13          HB1       PRO  13  16.599   8.275  -0.263
   91   1HG   PRO  13          HG2       PRO  13  15.378   8.393  -2.627
   92   2HG   PRO  13          HG1       PRO  13  15.798   6.833  -1.894
   93   1HD   PRO  13          HD2       PRO  13  13.144   8.174  -2.112
   94   2HD   PRO  13          HD1       PRO  13  13.546   6.447  -2.179
   95    H    MET  14           HN       MET  14  15.804   8.260   2.757
   96    HA   MET  14           HA       MET  14  14.438  10.733   3.319
   97   1HB   MET  14          HB2       MET  14  12.730   9.165   4.045
   98   2HB   MET  14          HB1       MET  14  13.906   8.290   5.016
   99   1HG   MET  14          HG2       MET  14  12.504   9.687   6.406
  100   2HG   MET  14          HG1       MET  14  14.178  10.236   6.457
  101   1HE   MET  14          HE1       MET  14  11.726  11.922   7.491
  102   2HE   MET  14          HE2       MET  14  12.033  13.526   6.826
  103   3HE   MET  14          HE3       MET  14  13.357  12.592   7.524
  104    H    ASP  15           HN       ASP  15  16.934   8.493   3.787
  105    HA   ASP  15           HA       ASP  15  18.437  10.412   5.338
  106   1HB   ASP  15          HB2       ASP  15  17.221   9.071   7.052
  107   2HB   ASP  15          HB1       ASP  15  18.015   7.627   6.439
  108    H    ILE  16           HN       ILE  16  19.857  10.519   3.668
  109    HA   ILE  16           HA       ILE  16  21.894   8.582   3.515
  110    HB   ILE  16           HB       ILE  16  20.382   7.281   2.248
  111   1HG1  ILE  16          HG12      ILE  16  22.327   8.762   0.495
  112   2HG1  ILE  16          HG11      ILE  16  22.552   7.219   1.309
  113   1HG2  ILE  16          HG21      ILE  16  19.184   8.121   0.278
  114   2HG2  ILE  16          HG22      ILE  16  19.796   9.739   0.627
  115   3HG2  ILE  16          HG23      ILE  16  18.711   8.941   1.768
  116   1HD1  ILE  16          HD11      ILE  16  22.248   6.840  -1.034
  117   2HD1  ILE  16          HD12      ILE  16  20.747   7.765  -1.027
  118   3HD1  ILE  16          HD13      ILE  16  20.841   6.232  -0.164
  119    H    THR  17           HN       THR  17  23.265  10.354   3.735
  120    HA   THR  17           HA       THR  17  23.157  12.760   2.408
  121    HB   THR  17           HB       THR  17  25.647  12.847   2.569
  122    HG1  THR  17           HG1      THR  17  25.746  10.512   4.054
  123   1HG2  THR  17          HG21      THR  17  24.181  11.913   5.041
  124   2HG2  THR  17          HG22      THR  17  24.284  13.571   4.449
  125   3HG2  THR  17          HG23      THR  17  25.732  12.753   5.035
  126    H    LEU  18           HN       LEU  18  22.794  13.007   0.308
  127    HA   LEU  18           HA       LEU  18  23.530  11.126  -1.655
  128   1HB   LEU  18          HB2       LEU  18  22.279  13.806  -1.583
  129   2HB   LEU  18          HB1       LEU  18  23.011  13.326  -3.099
  130    HG   LEU  18           HG       LEU  18  20.683  12.765  -3.187
  131   1HD1  LEU  18          HD11      LEU  18  20.803  10.269  -3.391
  132   2HD1  LEU  18          HD12      LEU  18  22.442  10.364  -2.743
  133   3HD1  LEU  18          HD13      LEU  18  22.051  11.150  -4.273
  134   1HD2  LEU  18          HD21      LEU  18  19.792  11.064  -1.515
  135   2HD2  LEU  18          HD22      LEU  18  20.004  12.719  -0.943
  136   3HD2  LEU  18          HD23      LEU  18  21.188  11.483  -0.522
  137    H    THR  19           HN       THR  19  24.338  13.205  -3.604
  138    HA   THR  19           HA       THR  19  26.217  14.106  -4.522
  139    HB   THR  19           HB       THR  19  27.624  15.411  -3.233
  140    HG1  THR  19           HG1      THR  19  27.356  14.265  -0.760
  141   1HG2  THR  19          HG21      THR  19  26.339  16.369  -1.382
  142   2HG2  THR  19          HG22      THR  19  25.266  14.967  -1.390
  143   3HG2  THR  19          HG23      THR  19  25.302  16.062  -2.775
  144    H    GLU  20           HN       GLU  20  25.946  11.189  -3.544
  145    HA   GLU  20           HA       GLU  20  28.760  10.466  -4.021
  146   1HB   GLU  20          HB2       GLU  20  26.786   8.945  -2.309
  147   2HB   GLU  20          HB1       GLU  20  28.466   8.514  -2.593
  148   1HG   GLU  20          HG2       GLU  20  29.145  10.623  -1.488
  149   2HG   GLU  20          HG1       GLU  20  27.449  10.925  -1.112
  150    H    THR  21           HN       THR  21  28.494   7.781  -4.343
  151    HA   THR  21           HA       THR  21  26.404   7.236  -6.285
  152    HB   THR  21           HB       THR  21  28.724   6.324  -7.581
  153    HG1  THR  21           HG1      THR  21  29.562   8.217  -6.143
  154   1HG2  THR  21          HG21      THR  21  26.712   6.973  -8.733
  155   2HG2  THR  21          HG22      THR  21  28.043   7.970  -9.321
  156   3HG2  THR  21          HG23      THR  21  26.880   8.638  -8.176
  157    H    ARG  22           HN       ARG  22  28.966   6.279  -4.201
  158    HA   ARG  22           HA       ARG  22  28.139   3.464  -4.438
  159   1HB   ARG  22          HB2       ARG  22  30.909   4.504  -3.857
  160   2HB   ARG  22          HB1       ARG  22  30.436   2.812  -3.919
  161   1HG   ARG  22          HG2       ARG  22  30.069   2.894  -6.246
  162   2HG   ARG  22          HG1       ARG  22  30.125   4.658  -6.267
  163   1HD   ARG  22          HD2       ARG  22  32.183   3.811  -7.161
  164   2HD   ARG  22          HD1       ARG  22  32.505   4.543  -5.590
  165    HE   ARG  22           HE       ARG  22  32.104   1.650  -5.727
  166   1HH1  ARG  22          HH11      ARG  22  34.228   4.371  -5.264
  167   2HH1  ARG  22          HH12      ARG  22  35.510   3.421  -4.590
  168   1HH2  ARG  22          HH21      ARG  22  33.787   0.390  -4.842
  169   2HH2  ARG  22          HH22      ARG  22  35.259   1.158  -4.350
  170    H    PHE  23           HN       PHE  23  28.250   2.242  -2.428
  171    HA   PHE  23           HA       PHE  23  28.607   3.753   0.043
  172   1HB   PHE  23          HB2       PHE  23  26.033   2.292  -0.614
  173   2HB   PHE  23          HB1       PHE  23  26.423   3.044   0.930
  174    HD1  PHE  23           HD1      PHE  23  25.984   3.814  -2.671
  175    HD2  PHE  23           HD2      PHE  23  25.854   5.264   1.325
  176    HE1  PHE  23           HE1      PHE  23  25.066   5.936  -3.482
  177    HE2  PHE  23           HE2      PHE  23  24.921   7.395   0.522
  178    HZ   PHE  23           HZ       PHE  23  24.524   7.735  -1.886
  179    H    LYS  24           HN       LYS  24  29.988   2.533   1.164
  180    HA   LYS  24           HA       LYS  24  30.721  -0.053   0.604
  181   1HB   LYS  24          HB2       LYS  24  31.469  -0.122   3.074
  182   2HB   LYS  24          HB1       LYS  24  32.198   1.060   1.998
  183   1HG   LYS  24          HG2       LYS  24  30.951   2.828   2.927
  184   2HG   LYS  24          HG1       LYS  24  29.851   1.720   3.750
  185   1HD   LYS  24          HD2       LYS  24  31.751   0.942   5.140
  186   2HD   LYS  24          HD1       LYS  24  32.769   2.162   4.374
  187   1HE   LYS  24          HE2       LYS  24  31.279   3.920   5.210
  188   2HE   LYS  24          HE1       LYS  24  30.276   2.695   5.985
  189   1HZ   LYS  24          HZ1       LYS  24  32.324   2.035   7.244
  190   2HZ   LYS  24          HZ2       LYS  24  31.696   3.555   7.636
  191   3HZ   LYS  24          HZ3       LYS  24  33.066   3.436   6.651
  192    H    THR  25           HN       THR  25  30.571  -1.957   2.068
  193    HA   THR  25           HA       THR  25  27.871  -2.786   2.225
  194    HB   THR  25           HB       THR  25  28.964  -4.753   3.486
  195    HG1  THR  25           HG1      THR  25  30.975  -3.260   3.624
  196   1HG2  THR  25          HG21      THR  25  28.201  -4.828   1.147
  197   2HG2  THR  25          HG22      THR  25  29.679  -5.761   1.377
  198   3HG2  THR  25          HG23      THR  25  29.751  -4.162   0.634
  199    H    GLY  26           HN       GLY  26  29.690  -0.927   4.290
  200   1HA   GLY  26          HA2       GLY  26  28.432  -1.924   6.740
  201   2HA   GLY  26          HA1       GLY  26  29.671  -0.677   6.644
  202    H    THR  27           HN       THR  27  27.925   0.319   4.298
  203    HA   THR  27           HA       THR  27  26.658   2.427   5.688
  204    HB   THR  27           HB       THR  27  27.436   2.290   3.199
  205    HG1  THR  27           HG1      THR  27  26.080   3.981   4.498
  206   1HG2  THR  27          HG21      THR  27  25.657   0.411   2.847
  207   2HG2  THR  27          HG22      THR  27  25.914   1.626   1.593
  208   3HG2  THR  27          HG23      THR  27  24.536   1.766   2.691
  209    H    THR  28           HN       THR  28  24.338   2.964   5.606
  210    HA   THR  28           HA       THR  28  22.453   0.830   5.194
  211    HB   THR  28           HB       THR  28  22.826   1.908   8.000
  212    HG1  THR  28           HG1      THR  28  22.993  -0.818   7.406
  213   1HG2  THR  28          HG21      THR  28  20.900  -0.180   6.976
  214   2HG2  THR  28          HG22      THR  28  20.468   1.482   7.374
  215   3HG2  THR  28          HG23      THR  28  21.045   0.396   8.638
  216    H    LEU  29           HN       LEU  29  20.694   1.705   4.369
  217    HA   LEU  29           HA       LEU  29  20.273   4.574   4.681
  218   1HB   LEU  29          HB2       LEU  29  18.899   2.625   2.832
  219   2HB   LEU  29          HB1       LEU  29  18.710   4.368   2.813
  220    HG   LEU  29           HG       LEU  29  21.269   4.413   2.381
  221   1HD1  LEU  29          HD11      LEU  29  21.642   2.040   2.873
  222   2HD1  LEU  29          HD12      LEU  29  22.140   2.461   1.235
  223   3HD1  LEU  29          HD13      LEU  29  20.622   1.605   1.502
  224   1HD2  LEU  29          HD21      LEU  29  19.276   3.481   0.325
  225   2HD2  LEU  29          HD22      LEU  29  20.881   4.105  -0.054
  226   3HD2  LEU  29          HD23      LEU  29  19.694   5.147   0.729
  227    H    LYS  30           HN       LYS  30  17.835   5.216   4.659
  228    HA   LYS  30           HA       LYS  30  16.544   3.710   6.828
  229   1HB   LYS  30          HB2       LYS  30  17.149   6.066   7.317
  230   2HB   LYS  30          HB1       LYS  30  16.098   6.581   6.002
  231   1HG   LYS  30          HG2       LYS  30  14.164   5.694   7.154
  232   2HG   LYS  30          HG1       LYS  30  15.192   5.081   8.450
  233   1HD   LYS  30          HD2       LYS  30  14.933   7.989   7.692
  234   2HD   LYS  30          HD1       LYS  30  14.063   7.214   9.018
  235   1HE   LYS  30          HE2       LYS  30  16.207   6.634  10.066
  236   2HE   LYS  30          HE1       LYS  30  17.059   7.442   8.751
  237   1HZ   LYS  30          HZ1       LYS  30  15.129   8.800  10.548
  238   2HZ   LYS  30          HZ2       LYS  30  16.143   9.525   9.406
  239   3HZ   LYS  30          HZ3       LYS  30  16.804   8.806  10.786
  240    H    TYR  31           HN       TYR  31  15.298   5.992   4.419
  241    HA   TYR  31           HA       TYR  31  13.596   5.881   2.932
  242   1HB   TYR  31          HB2       TYR  31  14.284   2.978   3.182
  243   2HB   TYR  31          HB1       TYR  31  12.835   3.452   2.299
  244    HD1  TYR  31           HD1      TYR  31  13.092   3.596   0.019
  245    HD2  TYR  31           HD2      TYR  31  16.402   4.576   2.506
  246    HE1  TYR  31           HE1      TYR  31  14.449   4.056  -1.979
  247    HE2  TYR  31           HE2      TYR  31  17.768   5.039   0.514
  248    HH   TYR  31           HH       TYR  31  17.847   4.515  -1.829
  249    H    THR  32           HN       THR  32  11.387   5.919   2.945
  250    HA   THR  32           HA       THR  32  10.074   4.843   5.350
  251    HB   THR  32           HB       THR  32   9.953   7.049   5.905
  252    HG1  THR  32           HG1      THR  32   7.829   7.069   4.015
  253   1HG2  THR  32          HG21      THR  32  11.254   7.842   3.986
  254   2HG2  THR  32          HG22      THR  32   9.893   8.912   4.321
  255   3HG2  THR  32          HG23      THR  32   9.809   7.774   2.975
  256    H    CYS  33           HN       CYS  33   7.924   4.169   5.135
  257    HA   CYS  33           HA       CYS  33   7.233   3.339   2.432
  258   1HB   CYS  33          HB2       CYS  33   6.019   2.620   5.105
  259   2HB   CYS  33          HB1       CYS  33   5.525   1.938   3.559
  260    H    LEU  34           HN       LEU  34   6.183   4.697   1.292
  261    HA   LEU  34           HA       LEU  34   4.785   6.906   1.881
  262   1HB   LEU  34          HB2       LEU  34   3.804   5.010  -0.242
  263   2HB   LEU  34          HB1       LEU  34   3.632   6.753  -0.207
  264    HG   LEU  34           HG       LEU  34   6.256   5.263  -0.508
  265   1HD1  LEU  34          HD11      LEU  34   6.229   6.062  -2.798
  266   2HD1  LEU  34          HD12      LEU  34   4.654   6.816  -2.539
  267   3HD1  LEU  34          HD13      LEU  34   4.814   5.061  -2.474
  268   1HD2  LEU  34          HD21      LEU  34   7.138   7.516  -1.066
  269   2HD2  LEU  34          HD22      LEU  34   6.615   7.358   0.610
  270   3HD2  LEU  34          HD23      LEU  34   5.599   8.208  -0.554
  271    HA   PRO  35           HA       PRO  35   1.297   6.771   4.421
  272   1HB   PRO  35          HB2       PRO  35  -0.154   7.356   1.876
  273   2HB   PRO  35          HB1       PRO  35  -0.367   8.071   3.478
  274   1HG   PRO  35          HG2       PRO  35   1.135   9.206   1.490
  275   2HG   PRO  35          HG1       PRO  35   1.405   9.488   3.218
  276   1HD   PRO  35          HD2       PRO  35   3.122   8.139   1.343
  277   2HD   PRO  35          HD1       PRO  35   3.405   8.450   3.067
  278    H    GLY  36           HN       GLY  36  -0.221   5.688   1.417
  279   1HA   GLY  36          HA2       GLY  36  -1.991   3.967   2.733
  280   2HA   GLY  36          HA1       GLY  36  -1.697   4.019   1.011
  281    H    TYR  37           HN       TYR  37   1.056   3.144   1.055
  282    HA   TYR  37           HA       TYR  37   1.347   0.799   0.307
  283   1HB   TYR  37          HB2       TYR  37   2.757   1.966   2.601
  284   2HB   TYR  37          HB1       TYR  37   2.958   0.224   2.389
  285    HD1  TYR  37           HD1      TYR  37   3.423   3.510   0.813
  286    HD2  TYR  37           HD2      TYR  37   4.159  -0.661   0.503
  287    HE1  TYR  37           HE1      TYR  37   4.982   3.922  -1.037
  288    HE2  TYR  37           HE2      TYR  37   5.724  -0.254  -1.343
  289    HH   TYR  37           HH       TYR  37   6.914   2.813  -2.095
  290    H    VAL  38           HN       VAL  38   1.063  -1.287   0.534
  291    HA   VAL  38           HA       VAL  38  -0.915  -2.037   2.578
  292    HB   VAL  38           HB       VAL  38  -0.835  -2.665  -0.344
  293   1HG1  VAL  38          HG11      VAL  38  -0.892  -4.829   0.761
  294   2HG1  VAL  38          HG12      VAL  38  -2.440  -4.468  -0.004
  295   3HG1  VAL  38          HG13      VAL  38  -2.258  -4.303   1.742
  296   1HG2  VAL  38          HG21      VAL  38  -2.970  -1.781   1.584
  297   2HG2  VAL  38          HG22      VAL  38  -3.267  -2.192  -0.104
  298   3HG2  VAL  38          HG23      VAL  38  -2.220  -0.831   0.301
  299    H    ARG  39           HN       ARG  39  -0.503  -3.776   3.767
  300    HA   ARG  39           HA       ARG  39   0.633  -5.500   4.712
  301   1HB   ARG  39          HB2       ARG  39  -0.455  -6.409   2.517
  302   2HB   ARG  39          HB1       ARG  39   1.214  -6.556   1.982
  303   1HG   ARG  39          HG2       ARG  39   1.699  -7.970   3.930
  304   2HG   ARG  39          HG1       ARG  39   0.007  -7.850   4.417
  305   1HD   ARG  39          HD2       ARG  39   0.419  -9.935   3.231
  306   2HD   ARG  39          HD1       ARG  39  -0.674  -8.897   2.318
  307    HE   ARG  39           HE       ARG  39   1.734  -8.286   1.275
  308   1HH1  ARG  39          HH11      ARG  39   0.110 -11.314   1.854
  309   2HH1  ARG  39          HH12      ARG  39   0.858 -12.119   0.516
  310   1HH2  ARG  39          HH21      ARG  39   2.724  -9.337  -0.489
  311   2HH2  ARG  39          HH22      ARG  39   2.345 -10.995  -0.815
  312    H    SER  40           HN       SER  40   2.691  -6.961   4.445
  313    HA   SER  40           HA       SER  40   4.937  -7.213   4.342
  314   1HB   SER  40          HB2       SER  40   4.769  -6.435   2.015
  315   2HB   SER  40          HB1       SER  40   4.930  -4.768   2.569
  316    HG   SER  40           HG       SER  40   6.962  -5.736   3.613
  317    H    HIS  41           HN       HIS  41   3.624  -4.121   5.282
  318    HA   HIS  41           HA       HIS  41   5.854  -2.820   6.244
  319   1HB   HIS  41          HB2       HIS  41   4.194  -2.008   8.110
  320   2HB   HIS  41          HB1       HIS  41   3.992  -1.513   6.436
  321    HD1  HIS  41           HD1      HIS  41   1.706  -1.834   5.531
  322    HD2  HIS  41           HD2      HIS  41   2.467  -4.355   8.745
  323    HE1  HIS  41           HE1      HIS  41  -0.462  -3.029   5.976
  324    HE2  HIS  41           HE2      HIS  41  -0.006  -4.464   7.997
  325    H    SER  42           HN       SER  42   7.281  -3.106   7.796
  326    HA   SER  42           HA       SER  42   6.769  -4.280  10.294
  327   1HB   SER  42          HB2       SER  42   6.604  -6.379   9.084
  328   2HB   SER  42          HB1       SER  42   8.152  -6.080   8.293
  329    HG   SER  42           HG       SER  42   8.605  -7.396   9.984
  330    H    THR  43           HN       THR  43   8.812  -2.884   7.971
  331    HA   THR  43           HA       THR  43  10.630  -1.932   9.963
  332    HB   THR  43           HB       THR  43  12.167  -3.437   7.931
  333    HG1  THR  43           HG1      THR  43  11.169  -5.248   8.431
  334   1HG2  THR  43          HG21      THR  43  12.519  -3.214  10.919
  335   2HG2  THR  43          HG22      THR  43  13.148  -2.037   9.767
  336   3HG2  THR  43          HG23      THR  43  13.726  -3.702   9.730
  337    H    GLN  44           HN       GLN  44  12.858  -1.465   8.223
  338    HA   GLN  44           HA       GLN  44  12.372  -0.426   5.729
  339   1HB   GLN  44          HB2       GLN  44  12.208   2.054   6.279
  340   2HB   GLN  44          HB1       GLN  44  10.748   1.101   6.514
  341   1HG   GLN  44          HG2       GLN  44  11.265   0.969   8.923
  342   2HG   GLN  44          HG1       GLN  44  12.660   2.014   8.652
  343   1HE2  GLN  44          HE21      GLN  44  10.269   2.417  10.297
  344   2HE2  GLN  44          HE22      GLN  44   9.557   3.890   9.742
  345    H    THR  45           HN       THR  45  14.544  -1.278   5.676
  346    HA   THR  45           HA       THR  45  16.540   0.752   6.113
  347    HB   THR  45           HB       THR  45  18.002  -0.997   7.405
  348    HG1  THR  45           HG1      THR  45  16.344  -1.998   8.975
  349   1HG2  THR  45          HG21      THR  45  15.811   0.542   8.802
  350   2HG2  THR  45          HG22      THR  45  17.346   1.218   8.254
  351   3HG2  THR  45          HG23      THR  45  17.323  -0.007   9.525
  352    H    LEU  46           HN       LEU  46  18.094   0.614   4.625
  353    HA   LEU  46           HA       LEU  46  18.303  -1.857   3.023
  354   1HB   LEU  46          HB2       LEU  46  19.074   0.980   2.311
  355   2HB   LEU  46          HB1       LEU  46  19.350  -0.413   1.287
  356    HG   LEU  46           HG       LEU  46  16.716   0.838   2.023
  357   1HD1  LEU  46          HD11      LEU  46  16.481   1.122  -0.371
  358   2HD1  LEU  46          HD12      LEU  46  18.006   0.277  -0.647
  359   3HD1  LEU  46          HD13      LEU  46  18.000   1.843   0.167
  360   1HD2  LEU  46          HD21      LEU  46  17.209  -1.789   0.651
  361   2HD2  LEU  46          HD22      LEU  46  15.658  -0.952   0.707
  362   3HD2  LEU  46          HD23      LEU  46  16.399  -1.537   2.197
  363    H    THR  47           HN       THR  47  20.466  -2.547   2.376
  364    HA   THR  47           HA       THR  47  22.747  -1.311   3.667
  365    HB   THR  47           HB       THR  47  22.466  -4.211   4.303
  366    HG1  THR  47           HG1      THR  47  21.467  -2.311   6.137
  367   1HG2  THR  47          HG21      THR  47  23.916  -3.690   6.098
  368   2HG2  THR  47          HG22      THR  47  23.580  -1.964   5.971
  369   3HG2  THR  47          HG23      THR  47  24.522  -2.772   4.717
  370    H    CYS  48           HN       CYS  48  24.747  -1.986   2.799
  371    HA   CYS  48           HA       CYS  48  24.477  -3.373   0.273
  372   1HB   CYS  48          HB2       CYS  48  26.485  -1.567   1.516
  373   2HB   CYS  48          HB1       CYS  48  27.097  -2.738   0.360
  374    H    ASN  49           HN       ASN  49  24.800  -5.467   0.136
  375    HA   ASN  49           HA       ASN  49  26.376  -6.831   2.188
  376   1HB   ASN  49          HB2       ASN  49  25.189  -8.774   1.684
  377   2HB   ASN  49          HB1       ASN  49  23.983  -7.528   1.377
  378   1HD2  ASN  49          HD21      ASN  49  23.515  -6.957  -0.773
  379   2HD2  ASN  49          HD22      ASN  49  23.846  -8.044  -2.075
  380    H    SER  50           HN       SER  50  27.454  -8.965   1.022
  381    HA   SER  50           HA       SER  50  29.378  -7.822  -0.849
  382   1HB   SER  50          HB2       SER  50  30.245  -9.055   1.097
  383   2HB   SER  50          HB1       SER  50  29.382 -10.500   0.574
  384    HG   SER  50           HG       SER  50  31.424  -9.167  -0.881
  385    H    ASP  51           HN       ASP  51  27.497  -7.786  -2.370
  386    HA   ASP  51           HA       ASP  51  27.623 -10.074  -4.211
  387   1HB   ASP  51          HB2       ASP  51  25.611 -10.271  -2.585
  388   2HB   ASP  51          HB1       ASP  51  24.959  -8.909  -3.497
  389    H    GLY  52           HN       GLY  52  28.011  -6.925  -3.684
  390   1HA   GLY  52          HA2       GLY  52  27.976  -5.038  -4.995
  391   2HA   GLY  52          HA1       GLY  52  28.018  -6.148  -6.357
  392    H    GLU  53           HN       GLU  53  25.453  -6.598  -4.281
  393    HA   GLU  53           HA       GLU  53  23.652  -4.864  -5.844
  394   1HB   GLU  53          HB2       GLU  53  22.092  -6.544  -6.152
  395   2HB   GLU  53          HB1       GLU  53  23.603  -7.430  -6.321
  396   1HG   GLU  53          HG2       GLU  53  23.421  -8.223  -4.036
  397   2HG   GLU  53          HG1       GLU  53  21.952  -7.279  -3.808
  398    H    TRP  54           HN       TRP  54  21.728  -4.171  -4.754
  399    HA   TRP  54           HA       TRP  54  22.179  -3.737  -1.969
  400   1HB   TRP  54          HB2       TRP  54  19.954  -2.895  -3.840
  401   2HB   TRP  54          HB1       TRP  54  20.048  -2.412  -2.155
  402    HD1  TRP  54           HD1      TRP  54  21.553  -1.662  -5.558
  403    HE1  TRP  54           HE1      TRP  54  23.049   0.427  -5.363
  404    HE3  TRP  54           HE3      TRP  54  21.560  -1.168  -0.495
  405    HZ2  TRP  54           HZ2      TRP  54  24.094   2.072  -3.309
  406    HZ3  TRP  54           HZ3      TRP  54  22.827   0.687   0.524
  407    HH2  TRP  54           HH2      TRP  54  24.069   2.272  -0.859
  408    H    VAL  55           HN       VAL  55  21.636  -5.162  -0.520
  409    HA   VAL  55           HA       VAL  55  19.536  -7.165  -1.036
  410    HB   VAL  55           HB       VAL  55  22.070  -7.111   0.498
  411   1HG1  VAL  55          HG11      VAL  55  19.648  -8.562   1.543
  412   2HG1  VAL  55          HG12      VAL  55  20.518  -7.249   2.337
  413   3HG1  VAL  55          HG13      VAL  55  21.304  -8.809   2.097
  414   1HG2  VAL  55          HG21      VAL  55  22.209  -9.401  -0.181
  415   2HG2  VAL  55          HG22      VAL  55  21.661  -8.456  -1.567
  416   3HG2  VAL  55          HG23      VAL  55  20.506  -9.419  -0.645
  417    H    TYR  56           HN       TYR  56  17.803  -7.373   0.366
  418    HA   TYR  56           HA       TYR  56  17.661  -6.227   2.850
  419   1HB   TYR  56          HB2       TYR  56  16.110  -4.232   2.310
  420   2HB   TYR  56          HB1       TYR  56  17.826  -4.037   1.960
  421    HD1  TYR  56           HD1      TYR  56  18.578  -3.602  -0.236
  422    HD2  TYR  56           HD2      TYR  56  14.542  -4.782   0.404
  423    HE1  TYR  56           HE1      TYR  56  18.055  -3.057  -2.576
  424    HE2  TYR  56           HE2      TYR  56  14.006  -4.240  -1.934
  425    HH   TYR  56           HH       TYR  56  14.918  -2.758  -3.736
  426    H    ASN  57           HN       ASN  57  15.256  -5.883   3.602
  427    HA   ASN  57           HA       ASN  57  13.673  -8.024   2.361
  428   1HB   ASN  57          HB2       ASN  57  13.417  -6.757   5.099
  429   2HB   ASN  57          HB1       ASN  57  12.448  -8.099   4.498
  430   1HD2  ASN  57          HD21      ASN  57  13.142  -9.409   6.194
  431   2HD2  ASN  57          HD22      ASN  57  14.726 -10.099   6.221
  432    H    THR  58           HN       THR  58  11.231  -7.696   2.592
  433    HA   THR  58           HA       THR  58  10.579  -5.038   1.547
  434    HB   THR  58           HB       THR  58   8.708  -7.403   1.589
  435    HG1  THR  58           HG1      THR  58  10.597  -6.734  -0.444
  436   1HG2  THR  58          HG21      THR  58   7.749  -5.208   1.070
  437   2HG2  THR  58          HG22      THR  58   7.720  -6.262  -0.344
  438   3HG2  THR  58          HG23      THR  58   8.936  -4.991  -0.216
  439    H    PHE  59           HN       PHE  59   9.572  -3.609   2.811
  440    HA   PHE  59           HA       PHE  59   8.168  -4.630   5.187
  441   1HB   PHE  59          HB2       PHE  59   8.966  -2.313   6.151
  442   2HB   PHE  59          HB1       PHE  59  10.031  -3.716   6.167
  443    HD1  PHE  59           HD1      PHE  59  12.086  -3.686   5.047
  444    HD2  PHE  59           HD2      PHE  59   9.225  -0.629   4.292
  445    HE1  PHE  59           HE1      PHE  59  13.770  -2.431   3.765
  446    HE2  PHE  59           HE2      PHE  59  10.904   0.633   3.010
  447    HZ   PHE  59           HZ       PHE  59  13.180  -0.269   2.744
  448    H    CYS  60           HN       CYS  60   7.053  -3.879   2.589
  449    HA   CYS  60           HA       CYS  60   4.670  -2.810   3.139
  450   1HB   CYS  60          HB2       CYS  60   4.901  -0.347   2.498
  451   2HB   CYS  60          HB1       CYS  60   5.463  -0.796   4.107
  452    H    ILE  61           HN       ILE  61   3.423  -2.740   1.305
  453    HA   ILE  61           HA       ILE  61   4.711  -2.253  -1.255
  454    HB   ILE  61           HB       ILE  61   3.526  -4.356  -2.170
  455   1HG1  ILE  61          HG12      ILE  61   3.971  -5.207   0.697
  456   2HG1  ILE  61          HG11      ILE  61   2.394  -4.887  -0.022
  457   1HG2  ILE  61          HG21      ILE  61   6.028  -4.646  -0.533
  458   2HG2  ILE  61          HG22      ILE  61   5.937  -3.915  -2.137
  459   3HG2  ILE  61          HG23      ILE  61   5.546  -5.624  -1.921
  460   1HD1  ILE  61          HD11      ILE  61   2.775  -7.248   0.023
  461   2HD1  ILE  61          HD12      ILE  61   4.326  -7.058  -0.794
  462   3HD1  ILE  61          HD13      ILE  61   2.827  -6.697  -1.651
  463    H    TYR  62           HN       TYR  62   3.491  -0.850  -2.217
  464    HA   TYR  62           HA       TYR  62   0.752  -0.326  -1.682
  465   1HB   TYR  62          HB2       TYR  62   2.778   0.762  -3.330
  466   2HB   TYR  62          HB1       TYR  62   1.386   0.411  -4.359
  467    HD1  TYR  62           HD1      TYR  62  -0.941   1.124  -3.204
  468    HD2  TYR  62           HD2      TYR  62   2.864   2.814  -2.333
  469    HE1  TYR  62           HE1      TYR  62  -2.049   3.131  -2.321
  470    HE2  TYR  62           HE2      TYR  62   1.781   4.830  -1.446
  471    HH   TYR  62           HH       TYR  62  -1.292   5.011  -0.533
  472    H    LYS  63           HN       LYS  63  -0.881  -1.479  -2.003
  473    HA   LYS  63           HA       LYS  63  -1.375  -2.940  -4.442
  474   1HB   LYS  63          HB2       LYS  63  -0.054  -4.610  -3.457
  475   2HB   LYS  63          HB1       LYS  63  -0.642  -4.242  -1.846
  476   1HG   LYS  63          HG2       LYS  63  -2.920  -5.084  -2.996
  477   2HG   LYS  63          HG1       LYS  63  -1.732  -6.039  -3.885
  478   1HD   LYS  63          HD2       LYS  63  -2.276  -5.987  -0.930
  479   2HD   LYS  63          HD1       LYS  63  -2.252  -7.362  -2.027
  480   1HE   LYS  63          HE2       LYS  63   0.301  -6.149  -2.103
  481   2HE   LYS  63          HE1       LYS  63  -0.142  -6.367  -0.411
  482   1HZ   LYS  63          HZ1       LYS  63   1.007  -8.302  -1.275
  483   2HZ   LYS  63          HZ2       LYS  63  -0.147  -8.486  -2.499
  484   3HZ   LYS  63          HZ3       LYS  63  -0.588  -8.701  -0.880
  485    H    ARG  64           HN       ARG  64  -3.356  -1.876  -4.664
  486    HA   ARG  64           HA       ARG  64  -5.124  -1.811  -2.342
  487   1HB   ARG  64          HB2       ARG  64  -6.496  -0.256  -3.720
  488   2HB   ARG  64          HB1       ARG  64  -4.864   0.327  -3.430
  489   1HG   ARG  64          HG2       ARG  64  -5.481  -1.168  -5.937
  490   2HG   ARG  64          HG1       ARG  64  -5.915   0.536  -5.789
  491   1HD   ARG  64          HD2       ARG  64  -3.556   1.026  -5.187
  492   2HD   ARG  64          HD1       ARG  64  -3.165  -0.664  -5.503
  493    HE   ARG  64           HE       ARG  64  -4.459   0.541  -7.731
  494   1HH1  ARG  64          HH11      ARG  64  -1.400   0.318  -6.075
  495   2HH1  ARG  64          HH12      ARG  64  -0.462   0.658  -7.490
  496   1HH2  ARG  64          HH21      ARG  64  -3.231   0.991  -9.600
  497   2HH2  ARG  64          HH22      ARG  64  -1.502   1.040  -9.493
  498    H    CYS  65           HN       CYS  65  -7.426  -1.543  -4.348
  499    HA   CYS  65           HA       CYS  65  -7.577  -4.275  -5.371
  500   1HB   CYS  65          HB2       CYS  65  -9.935  -3.268  -3.835
  501   2HB   CYS  65          HB1       CYS  65  -9.428  -4.925  -4.146
  502    H    ARG  66           HN       ARG  66  -9.576  -4.566  -6.748
  503    HA   ARG  66           HA       ARG  66  -9.763  -2.420  -8.563
  504   1HB   ARG  66          HB2       ARG  66 -10.126  -4.713  -9.304
  505   2HB   ARG  66          HB1       ARG  66 -11.536  -4.860  -8.263
  506   1HG   ARG  66          HG2       ARG  66 -12.212  -4.534 -10.558
  507   2HG   ARG  66          HG1       ARG  66 -12.668  -3.130  -9.588
  508   1HD   ARG  66          HD2       ARG  66 -11.759  -2.327 -11.643
  509   2HD   ARG  66          HD1       ARG  66 -10.584  -2.009 -10.369
  510    HE   ARG  66           HE       ARG  66 -10.071  -4.488 -11.663
  511   1HH1  ARG  66          HH11      ARG  66  -9.718  -1.039 -12.006
  512   2HH1  ARG  66          HH12      ARG  66  -8.337  -1.154 -13.046
  513   1HH2  ARG  66          HH21      ARG  66  -8.253  -4.648 -13.034
  514   2HH2  ARG  66          HH22      ARG  66  -7.505  -3.204 -13.630
  515    H    HIS  67           HN       HIS  67 -11.469  -1.034  -9.007
  516    HA   HIS  67           HA       HIS  67 -12.657   0.224  -6.852
  517   1HB   HIS  67          HB2       HIS  67 -12.328   1.128  -9.191
  518   2HB   HIS  67          HB1       HIS  67 -13.770   0.235  -9.660
  519    HD1  HIS  67           HD1      HIS  67 -15.990   1.311  -9.196
  520    HD2  HIS  67           HD2      HIS  67 -12.840   3.247  -7.302
  521    HE1  HIS  67           HE1      HIS  67 -16.971   3.428  -8.257
  522    HE2  HIS  67           HE2      HIS  67 -15.024   4.628  -7.199
  523    HA   PRO  68           HA       PRO  68 -16.051  -2.388  -5.517
  524   1HB   PRO  68          HB2       PRO  68 -17.582  -0.342  -4.540
  525   2HB   PRO  68          HB1       PRO  68 -16.263  -1.121  -3.665
  526   1HG   PRO  68          HG2       PRO  68 -16.257   1.444  -5.205
  527   2HG   PRO  68          HG1       PRO  68 -15.512   1.074  -3.638
  528   1HD   PRO  68          HD2       PRO  68 -14.034   1.157  -5.850
  529   2HD   PRO  68          HD1       PRO  68 -13.741  -0.086  -4.616
  530    H    GLY  69           HN       GLY  69 -16.549   0.527  -7.436
  531   1HA   GLY  69          HA2       GLY  69 -17.904   0.425  -9.440
  532   2HA   GLY  69          HA1       GLY  69 -18.950  -0.722  -8.611
  533    H    GLU  70           HN       GLU  70 -20.371   1.064  -9.641
  534    HA   GLU  70           HA       GLU  70 -20.664   3.433  -8.005
  535   1HB   GLU  70          HB2       GLU  70 -21.009   3.560 -10.458
  536   2HB   GLU  70          HB1       GLU  70 -22.353   2.437 -10.310
  537   1HG   GLU  70          HG2       GLU  70 -23.206   4.662 -10.515
  538   2HG   GLU  70          HG1       GLU  70 -23.520   4.075  -8.883
  539    H    LEU  71           HN       LEU  71 -21.885   3.707  -6.383
  540    HA   LEU  71           HA       LEU  71 -23.776   1.592  -5.646
  541   1HB   LEU  71          HB2       LEU  71 -22.120   2.059  -3.962
  542   2HB   LEU  71          HB1       LEU  71 -22.422   3.781  -4.067
  543    HG   LEU  71           HG       LEU  71 -24.624   3.462  -3.093
  544   1HD1  LEU  71          HD11      LEU  71 -25.206   1.260  -2.090
  545   2HD1  LEU  71          HD12      LEU  71 -23.853   0.559  -2.983
  546   3HD1  LEU  71          HD13      LEU  71 -25.209   1.275  -3.856
  547   1HD2  LEU  71          HD21      LEU  71 -23.935   3.025  -0.853
  548   2HD2  LEU  71          HD22      LEU  71 -22.610   3.843  -1.683
  549   3HD2  LEU  71          HD23      LEU  71 -22.542   2.101  -1.413
  550    H    ARG  72           HN       ARG  72 -25.654   2.056  -6.652
  551    HA   ARG  72           HA       ARG  72 -26.561   4.708  -7.154
  552   1HB   ARG  72          HB2       ARG  72 -27.348   2.778  -8.516
  553   2HB   ARG  72          HB1       ARG  72 -28.189   2.145  -7.106
  554   1HG   ARG  72          HG2       ARG  72 -29.623   4.118  -7.068
  555   2HG   ARG  72          HG1       ARG  72 -28.779   4.761  -8.478
  556   1HD   ARG  72          HD2       ARG  72 -30.849   3.724  -9.169
  557   2HD   ARG  72          HD1       ARG  72 -29.482   2.785  -9.769
  558    HE   ARG  72           HE       ARG  72 -30.304   1.728  -7.303
  559   1HH1  ARG  72          HH11      ARG  72 -31.402   2.010 -10.598
  560   2HH1  ARG  72          HH12      ARG  72 -32.341   0.555 -10.546
  561   1HH2  ARG  72          HH21      ARG  72 -31.539  -0.188  -7.225
  562   2HH2  ARG  72          HH22      ARG  72 -32.419  -0.693  -8.627
  563    H    ASN  73           HN       ASN  73 -27.712   6.062  -6.046
  564    HA   ASN  73           HA       ASN  73 -28.584   7.094  -4.211
  565   1HB   ASN  73          HB2       ASN  73 -29.602   4.350  -3.409
  566   2HB   ASN  73          HB1       ASN  73 -30.260   5.911  -2.930
  567   1HD2  ASN  73          HD21      ASN  73 -29.941   7.006  -5.635
  568   2HD2  ASN  73          HD22      ASN  73 -31.218   6.315  -6.570
  569    H    GLY  74           HN       GLY  74 -25.989   6.620  -4.089
  570   1HA   GLY  74          HA2       GLY  74 -25.466   6.380  -1.329
  571   2HA   GLY  74          HA1       GLY  74 -24.942   4.929  -2.165
  572    H    GLN  75           HN       GLN  75 -22.998   6.174  -0.933
  573    HA   GLN  75           HA       GLN  75 -21.427   7.310  -3.109
  574   1HB   GLN  75          HB2       GLN  75 -21.760   8.685  -0.437
  575   2HB   GLN  75          HB1       GLN  75 -20.586   9.141  -1.663
  576   1HG   GLN  75          HG2       GLN  75 -22.383   9.692  -3.203
  577   2HG   GLN  75          HG1       GLN  75 -23.576   9.194  -2.004
  578   1HE2  GLN  75          HE21      GLN  75 -21.229  11.601  -2.889
  579   2HE2  GLN  75          HE22      GLN  75 -21.749  12.810  -1.771
  580    H    VAL  76           HN       VAL  76 -20.543   5.110  -2.856
  581    HA   VAL  76           HA       VAL  76 -19.350   4.035  -0.674
  582    HB   VAL  76           HB       VAL  76 -19.195   2.611  -2.429
  583   1HG1  VAL  76          HG11      VAL  76 -18.108   4.815  -4.162
  584   2HG1  VAL  76          HG12      VAL  76 -19.792   4.296  -4.093
  585   3HG1  VAL  76          HG13      VAL  76 -18.552   3.188  -4.681
  586   1HG2  VAL  76          HG21      VAL  76 -16.953   2.840  -1.305
  587   2HG2  VAL  76          HG22      VAL  76 -16.449   3.812  -2.687
  588   3HG2  VAL  76          HG23      VAL  76 -16.929   2.130  -2.918
  589    H    GLU  77           HN       GLU  77 -17.914   4.868   0.753
  590    HA   GLU  77           HA       GLU  77 -16.477   7.230   0.361
  591   1HB   GLU  77          HB2       GLU  77 -17.041   6.257   2.575
  592   2HB   GLU  77          HB1       GLU  77 -15.838   5.004   2.303
  593   1HG   GLU  77          HG2       GLU  77 -14.950   6.721   3.742
  594   2HG   GLU  77          HG1       GLU  77 -14.090   6.714   2.203
  595    H    ILE  78           HN       ILE  78 -14.965   7.510  -1.147
  596    HA   ILE  78           HA       ILE  78 -12.798   5.527  -1.313
  597    HB   ILE  78           HB       ILE  78 -14.177   6.880  -3.629
  598   1HG1  ILE  78          HG12      ILE  78 -15.161   4.780  -2.662
  599   2HG1  ILE  78          HG11      ILE  78 -14.707   4.664  -4.359
  600   1HG2  ILE  78          HG21      ILE  78 -11.736   6.960  -3.916
  601   2HG2  ILE  78          HG22      ILE  78 -12.508   5.887  -5.084
  602   3HG2  ILE  78          HG23      ILE  78 -11.664   5.212  -3.690
  603   1HD1  ILE  78          HD11      ILE  78 -14.091   2.647  -3.214
  604   2HD1  ILE  78          HD12      ILE  78 -13.187   3.564  -2.008
  605   3HD1  ILE  78          HD13      ILE  78 -12.631   3.519  -3.681
  606    H    LYS  79           HN       LYS  79 -11.136   6.552  -0.426
  607    HA   LYS  79           HA       LYS  79 -10.339   9.117  -1.580
  608   1HB   LYS  79          HB2       LYS  79  -9.664   9.945   0.654
  609   2HB   LYS  79          HB1       LYS  79 -11.401   9.730   0.510
  610   1HG   LYS  79          HG2       LYS  79  -9.625   7.655   1.754
  611   2HG   LYS  79          HG1       LYS  79 -10.316   8.991   2.674
  612   1HD   LYS  79          HD2       LYS  79 -12.555   8.257   2.064
  613   2HD   LYS  79          HD1       LYS  79 -11.872   6.945   1.099
  614   1HE   LYS  79          HE2       LYS  79 -11.981   7.269   4.062
  615   2HE   LYS  79          HE1       LYS  79 -12.366   5.869   3.067
  616   1HZ   LYS  79          HZ1       LYS  79 -10.334   5.493   4.266
  617   2HZ   LYS  79          HZ2       LYS  79  -9.648   6.904   3.634
  618   3HZ   LYS  79          HZ3       LYS  79  -9.997   5.603   2.610
  619    H    THR  80           HN       THR  80  -9.431   6.362   0.461
  620    HA   THR  80           HA       THR  80  -6.622   6.829   0.015
  621    HB   THR  80           HB       THR  80  -6.282   4.822   1.371
  622    HG1  THR  80           HG1      THR  80  -7.861   3.428   1.695
  623   1HG2  THR  80          HG21      THR  80  -6.554   6.830   2.617
  624   2HG2  THR  80          HG22      THR  80  -7.523   5.601   3.432
  625   3HG2  THR  80          HG23      THR  80  -8.305   6.806   2.403
  626    H    ASP  81           HN       ASP  81  -8.638   6.076  -2.163
  627    HA   ASP  81           HA       ASP  81  -8.587   4.921  -4.119
  628   1HB   ASP  81          HB2       ASP  81  -5.782   4.418  -3.163
  629   2HB   ASP  81          HB1       ASP  81  -6.361   3.848  -4.724
  630    H    LEU  82           HN       LEU  82  -8.838   3.623  -1.277
  631    HA   LEU  82           HA       LEU  82  -9.477   1.661  -0.399
  632   1HB   LEU  82          HB2       LEU  82 -10.618   0.020  -1.791
  633   2HB   LEU  82          HB1       LEU  82 -11.217   1.648  -2.023
  634    HG   LEU  82           HG       LEU  82  -9.160   0.790  -3.942
  635   1HD1  LEU  82          HD11      LEU  82 -10.505  -1.250  -3.502
  636   2HD1  LEU  82          HD12      LEU  82 -10.577  -0.663  -5.166
  637   3HD1  LEU  82          HD13      LEU  82 -11.923  -0.367  -4.062
  638   1HD2  LEU  82          HD21      LEU  82 -11.889   1.963  -4.404
  639   2HD2  LEU  82          HD22      LEU  82 -10.473   2.036  -5.455
  640   3HD2  LEU  82          HD23      LEU  82 -10.498   2.945  -3.938
  641    H    SER  83           HN       SER  83  -7.078   1.739  -0.110
  642    HA   SER  83           HA       SER  83  -5.596  -0.356  -1.431
  643   1HB   SER  83          HB2       SER  83  -4.875   1.335   0.978
  644   2HB   SER  83          HB1       SER  83  -3.769   0.273   0.106
  645    HG   SER  83           HG       SER  83  -4.787   1.774  -1.732
  646    H    PHE  84           HN       PHE  84  -5.303  -2.408  -0.740
  647    HA   PHE  84           HA       PHE  84  -6.974  -3.733   0.941
  648   1HB   PHE  84          HB2       PHE  84  -5.521  -4.998  -0.457
  649   2HB   PHE  84          HB1       PHE  84  -4.085  -4.301   0.281
  650    HD1  PHE  84           HD1      PHE  84  -3.396  -5.002   2.549
  651    HD2  PHE  84           HD2      PHE  84  -6.609  -6.884   0.492
  652    HE1  PHE  84           HE1      PHE  84  -3.257  -6.912   4.091
  653    HE2  PHE  84           HE2      PHE  84  -6.476  -8.798   2.032
  654    HZ   PHE  84           HZ       PHE  84  -4.799  -8.814   3.834
  655    H    GLY  85           HN       GLY  85  -7.070  -4.301   3.107
  656   1HA   GLY  85          HA2       GLY  85  -6.252  -4.424   5.324
  657   2HA   GLY  85          HA1       GLY  85  -5.007  -3.254   4.904
  658    H    SER  86           HN       SER  86  -8.505  -3.096   4.365
  659    HA   SER  86           HA       SER  86  -9.080  -1.343   6.489
  660   1HB   SER  86          HB2       SER  86  -9.360   0.760   5.237
  661   2HB   SER  86          HB1       SER  86  -7.679   0.226   5.226
  662    HG   SER  86           HG       SER  86  -9.367  -0.577   3.142
  663    H    GLN  87           HN       GLN  87 -10.704   0.138   4.226
  664    HA   GLN  87           HA       GLN  87 -12.551  -1.602   3.144
  665   1HB   GLN  87          HB2       GLN  87 -14.479  -1.204   4.763
  666   2HB   GLN  87          HB1       GLN  87 -13.257  -2.366   5.257
  667   1HG   GLN  87          HG2       GLN  87 -13.640  -1.151   7.182
  668   2HG   GLN  87          HG1       GLN  87 -12.195  -0.393   6.516
  669   1HE2  GLN  87          HE21      GLN  87 -12.322   1.669   5.664
  670   2HE2  GLN  87          HE22      GLN  87 -13.672   2.709   5.947
  671    H    ILE  88           HN       ILE  88 -14.595  -0.527   2.509
  672    HA   ILE  88           HA       ILE  88 -14.262   2.394   2.322
  673    HB   ILE  88           HB       ILE  88 -15.497   2.092   0.073
  674   1HG1  ILE  88          HG12      ILE  88 -14.307  -0.672   0.398
  675   2HG1  ILE  88          HG11      ILE  88 -16.028  -0.305   0.450
  676   1HG2  ILE  88          HG21      ILE  88 -13.185   2.861   0.300
  677   2HG2  ILE  88          HG22      ILE  88 -13.382   1.821  -1.112
  678   3HG2  ILE  88          HG23      ILE  88 -12.634   1.187   0.354
  679   1HD1  ILE  88          HD11      ILE  88 -14.184  -0.001  -1.902
  680   2HD1  ILE  88          HD12      ILE  88 -15.865   0.533  -1.871
  681   3HD1  ILE  88          HD13      ILE  88 -15.480  -1.180  -1.701
  682    H    GLU  89           HN       GLU  89 -15.704   2.679   4.084
  683    HA   GLU  89           HA       GLU  89 -18.197   1.518   4.392
  684   1HB   GLU  89          HB2       GLU  89 -16.812   3.874   5.424
  685   2HB   GLU  89          HB1       GLU  89 -18.552   4.089   5.339
  686   1HG   GLU  89          HG2       GLU  89 -18.846   2.018   6.638
  687   2HG   GLU  89          HG1       GLU  89 -17.093   1.884   6.774
  688    H    PHE  90           HN       PHE  90 -20.152   1.799   3.528
  689    HA   PHE  90           HA       PHE  90 -20.391   3.671   1.278
  690   1HB   PHE  90          HB2       PHE  90 -22.115   1.295   1.997
  691   2HB   PHE  90          HB1       PHE  90 -22.206   2.236   0.515
  692    HD1  PHE  90           HD1      PHE  90 -20.313  -0.259   2.387
  693    HD2  PHE  90           HD2      PHE  90 -20.537   1.981  -1.232
  694    HE1  PHE  90           HE1      PHE  90 -18.656  -1.755   1.360
  695    HE2  PHE  90           HE2      PHE  90 -18.880   0.486  -2.263
  696    HZ   PHE  90           HZ       PHE  90 -17.936  -1.384  -0.961
  697    H    SER  91           HN       SER  91 -22.337   4.911   1.019
  698    HA   SER  91           HA       SER  91 -23.904   5.261   3.479
  699   1HB   SER  91          HB2       SER  91 -23.907   7.737   2.979
  700   2HB   SER  91          HB1       SER  91 -22.359   7.081   3.517
  701    HG   SER  91           HG       SER  91 -22.365   8.522   1.603
  702    H    CYS  92           HN       CYS  92 -25.966   4.932   3.099
  703    HA   CYS  92           HA       CYS  92 -26.987   5.092   0.371
  704   1HB   CYS  92          HB2       CYS  92 -28.179   4.133   2.969
  705   2HB   CYS  92          HB1       CYS  92 -29.175   4.395   1.542
  706    H    SER  93           HN       SER  93 -27.826   6.871  -0.447
  707    HA   SER  93           HA       SER  93 -27.849   9.326   0.760
  708   1HB   SER  93          HB2       SER  93 -29.527   9.966  -1.046
  709   2HB   SER  93          HB1       SER  93 -28.009   9.253  -1.599
  710    HG   SER  93           HG       SER  93 -29.942   8.374  -2.587
  711    H    GLU  94           HN       GLU  94 -29.760  10.778   1.022
  712    HA   GLU  94           HA       GLU  94 -31.204  10.188   3.255
  713   1HB   GLU  94          HB2       GLU  94 -31.115  12.439   2.595
  714   2HB   GLU  94          HB1       GLU  94 -31.727  12.086   0.986
  715   1HG   GLU  94          HG2       GLU  94 -33.921  11.747   1.797
  716   2HG   GLU  94          HG1       GLU  94 -33.375  11.770   3.473
  717    H    GLY  95           HN       GLY  95 -33.341   9.615   3.698
  718   1HA   GLY  95          HA2       GLY  95 -35.343   8.506   3.411
  719   2HA   GLY  95          HA1       GLY  95 -35.131   8.678   1.676
  720    H    PHE  96           HN       PHE  96 -32.508   7.296   1.697
  721    HA   PHE  96           HA       PHE  96 -33.564   4.560   1.999
  722   1HB   PHE  96          HB2       PHE  96 -31.243   5.226   0.213
  723   2HB   PHE  96          HB1       PHE  96 -32.371   3.879   0.110
  724    HD1  PHE  96           HD1      PHE  96 -31.553   7.134  -1.073
  725    HD2  PHE  96           HD2      PHE  96 -34.763   4.384  -0.597
  726    HE1  PHE  96           HE1      PHE  96 -32.843   8.354  -2.775
  727    HE2  PHE  96           HE2      PHE  96 -36.062   5.600  -2.297
  728    HZ   PHE  96           HZ       PHE  96 -35.102   7.587  -3.389
  729    H    PHE  97           HN       PHE  97 -32.584   3.312   3.446
  730    HA   PHE  97           HA       PHE  97 -30.084   4.281   4.614
  731   1HB   PHE  97          HB2       PHE  97 -30.575   2.894   6.528
  732   2HB   PHE  97          HB1       PHE  97 -31.992   3.855   6.137
  733    HD1  PHE  97           HD1      PHE  97 -30.911   0.707   7.082
  734    HD2  PHE  97           HD2      PHE  97 -33.671   2.612   4.460
  735    HE1  PHE  97           HE1      PHE  97 -32.301  -1.324   7.071
  736    HE2  PHE  97           HE2      PHE  97 -35.059   0.582   4.438
  737    HZ   PHE  97           HZ       PHE  97 -34.379  -1.387   5.750
  738    H    LEU  98           HN       LEU  98 -28.554   2.597   5.364
  739    HA   LEU  98           HA       LEU  98 -27.897   0.942   3.076
  740   1HB   LEU  98          HB2       LEU  98 -26.224   2.402   4.198
  741   2HB   LEU  98          HB1       LEU  98 -26.324   1.362   5.608
  742    HG   LEU  98           HG       LEU  98 -25.686   0.112   2.979
  743   1HD1  LEU  98          HD11      LEU  98 -23.335   0.614   3.221
  744   2HD1  LEU  98          HD12      LEU  98 -23.666   1.587   4.654
  745   3HD1  LEU  98          HD13      LEU  98 -24.264   2.106   3.078
  746   1HD2  LEU  98          HD21      LEU  98 -26.014  -1.290   4.928
  747   2HD2  LEU  98          HD22      LEU  98 -24.795  -0.375   5.815
  748   3HD2  LEU  98          HD23      LEU  98 -24.326  -1.340   4.414
  749    H    ILE  99           HN       ILE  99 -27.751  -1.208   3.024
  750    HA   ILE  99           HA       ILE  99 -28.044  -2.868   5.398
  751    HB   ILE  99           HB       ILE  99 -29.872  -3.545   3.149
  752   1HG1  ILE  99          HG12      ILE  99 -30.915  -1.745   5.296
  753   2HG1  ILE  99          HG11      ILE  99 -30.148  -1.042   3.877
  754   1HG2  ILE  99          HG21      ILE  99 -30.268  -3.764   6.122
  755   2HG2  ILE  99          HG22      ILE  99 -29.455  -4.987   5.146
  756   3HG2  ILE  99          HG23      ILE  99 -31.150  -4.605   4.846
  757   1HD1  ILE  99          HD11      ILE  99 -31.753  -2.200   2.444
  758   2HD1  ILE  99          HD12      ILE  99 -32.542  -1.121   3.595
  759   3HD1  ILE  99          HD13      ILE  99 -32.540  -2.863   3.877
  760    H    GLY 100           HN       GLY 100 -26.325  -4.028   5.105
  761   1HA   GLY 100          HA2       GLY 100 -26.069  -6.103   3.310
  762   2HA   GLY 100          HA1       GLY 100 -25.190  -4.754   2.599
  763    H    SER 101           HN       SER 101 -24.145  -3.537   4.835
  764    HA   SER 101           HA       SER 101 -22.962  -5.141   6.753
  765   1HB   SER 101          HB2       SER 101 -21.830  -6.294   4.915
  766   2HB   SER 101          HB1       SER 101 -21.193  -4.756   4.334
  767    HG   SER 101           HG       SER 101 -20.346  -4.704   6.676
  768    H    THR 102           HN       THR 102 -22.704  -2.412   4.673
  769    HA   THR 102           HA       THR 102 -22.229  -0.222   5.040
  770    HB   THR 102           HB       THR 102 -21.648  -0.259   7.890
  771    HG1  THR 102           HG1      THR 102 -24.273  -1.091   7.198
  772   1HG2  THR 102          HG21      THR 102 -22.278   1.767   6.853
  773   2HG2  THR 102          HG22      THR 102 -23.667   1.287   7.831
  774   3HG2  THR 102          HG23      THR 102 -23.680   1.022   6.086
  775    H    THR 103           HN       THR 103 -20.251  -2.665   5.265
  776    HA   THR 103           HA       THR 103 -17.894  -0.985   5.208
  777    HB   THR 103           HB       THR 103 -16.689  -2.781   6.599
  778    HG1  THR 103           HG1      THR 103 -18.293  -3.524   8.302
  779   1HG2  THR 103          HG21      THR 103 -18.583  -0.921   8.022
  780   2HG2  THR 103          HG22      THR 103 -17.052  -0.435   7.292
  781   3HG2  THR 103          HG23      THR 103 -17.062  -1.562   8.650
  782    H    SER 104           HN       SER 104 -16.218  -1.937   3.943
  783    HA   SER 104           HA       SER 104 -16.803  -4.568   2.812
  784   1HB   SER 104          HB2       SER 104 -17.620  -2.920   1.179
  785   2HB   SER 104          HB1       SER 104 -16.064  -2.090   1.225
  786    HG   SER 104           HG       SER 104 -16.642  -3.860  -0.465
  787    H    ARG 105           HN       ARG 105 -15.087  -5.763   3.381
  788    HA   ARG 105           HA       ARG 105 -12.463  -4.486   3.686
  789   1HB   ARG 105          HB2       ARG 105 -13.370  -7.296   4.379
  790   2HB   ARG 105          HB1       ARG 105 -11.806  -6.593   4.768
  791   1HG   ARG 105          HG2       ARG 105 -13.047  -4.848   6.093
  792   2HG   ARG 105          HG1       ARG 105 -14.499  -5.826   5.862
  793   1HD   ARG 105          HD2       ARG 105 -13.545  -6.380   7.988
  794   2HD   ARG 105          HD1       ARG 105 -13.300  -7.742   6.895
  795    HE   ARG 105           HE       ARG 105 -11.033  -6.138   6.750
  796   1HH1  ARG 105          HH11      ARG 105 -12.696  -8.099   9.100
  797   2HH1  ARG 105          HH12      ARG 105 -11.257  -8.485   9.986
  798   1HH2  ARG 105          HH21      ARG 105  -9.136  -6.637   7.909
  799   2HH2  ARG 105          HH22      ARG 105  -9.234  -7.652   9.309
  800    H    CYS 106           HN       CYS 106 -10.581  -5.510   2.726
  801    HA   CYS 106           HA       CYS 106 -11.242  -6.756   0.150
  802   1HB   CYS 106          HB2       CYS 106 -10.234  -4.448   0.081
  803   2HB   CYS 106          HB1       CYS 106  -8.776  -5.133   0.792
  804    H    GLU 107           HN       GLU 107 -10.667  -8.792  -0.014
  805    HA   GLU 107           HA       GLU 107  -8.553  -9.815   1.732
  806   1HB   GLU 107          HB2       GLU 107 -11.010 -10.687   1.711
  807   2HB   GLU 107          HB1       GLU 107 -10.501 -11.556   0.265
  808   1HG   GLU 107          HG2       GLU 107  -9.227 -11.778   2.985
  809   2HG   GLU 107          HG1       GLU 107 -10.346 -12.939   2.273
  810    H    VAL 108           HN       VAL 108  -6.715  -9.843   0.750
  811    HA   VAL 108           HA       VAL 108  -6.488 -10.023  -2.122
  812    HB   VAL 108           HB       VAL 108  -4.595  -9.522   0.097
  813   1HG1  VAL 108          HG11      VAL 108  -3.632 -11.464  -1.231
  814   2HG1  VAL 108          HG12      VAL 108  -2.629 -10.017  -1.135
  815   3HG1  VAL 108          HG13      VAL 108  -3.549 -10.356  -2.602
  816   1HG2  VAL 108          HG21      VAL 108  -4.779  -8.368  -2.679
  817   2HG2  VAL 108          HG22      VAL 108  -3.932  -7.688  -1.285
  818   3HG2  VAL 108          HG23      VAL 108  -5.695  -7.767  -1.294
  819    H    GLN 109           HN       GLN 109  -6.357 -11.790  -3.254
  820    HA   GLN 109           HA       GLN 109  -5.592 -14.295  -1.913
  821   1HB   GLN 109          HB2       GLN 109  -7.493 -13.958  -4.246
  822   2HB   GLN 109          HB1       GLN 109  -7.136 -15.456  -3.394
  823   1HG   GLN 109          HG2       GLN 109  -8.320 -14.797  -1.496
  824   2HG   GLN 109          HG1       GLN 109  -8.295 -13.096  -1.957
  825   1HE2  GLN 109          HE21      GLN 109 -10.528 -12.889  -1.747
  826   2HE2  GLN 109          HE22      GLN 109 -11.627 -13.583  -2.885
  827    H    ASP 110           HN       ASP 110  -3.543 -14.678  -2.520
  828    HA   ASP 110           HA       ASP 110  -1.707 -15.033  -3.814
  829   1HB   ASP 110          HB2       ASP 110  -3.875 -15.353  -5.883
  830   2HB   ASP 110          HB1       ASP 110  -2.171 -15.598  -6.259
  831    H    ARG 111           HN       ARG 111  -1.401 -14.188  -6.619
  832    HA   ARG 111           HA       ARG 111  -0.661 -11.487  -6.131
  833   1HB   ARG 111          HB2       ARG 111  -0.569 -13.249  -8.572
  834   2HB   ARG 111          HB1       ARG 111  -0.024 -11.583  -8.587
  835   1HG   ARG 111          HG2       ARG 111   1.613 -12.117  -6.834
  836   2HG   ARG 111          HG1       ARG 111   1.085 -13.800  -6.884
  837   1HD   ARG 111          HD2       ARG 111   2.299 -12.249  -9.169
  838   2HD   ARG 111          HD1       ARG 111   3.117 -13.471  -8.195
  839    HE   ARG 111           HE       ARG 111   0.845 -14.659  -9.257
  840   1HH1  ARG 111          HH11      ARG 111   3.810 -13.242 -10.414
  841   2HH1  ARG 111          HH12      ARG 111   3.886 -14.240 -11.828
  842   1HH2  ARG 111          HH21      ARG 111   0.936 -15.976 -11.117
  843   2HH2  ARG 111          HH22      ARG 111   2.251 -15.792 -12.229
  844    H    GLY 112           HN       GLY 112  -3.582 -12.311  -6.163
  845   1HA   GLY 112          HA2       GLY 112  -4.454 -10.115  -7.910
  846   2HA   GLY 112          HA1       GLY 112  -5.281 -11.663  -7.986
  847    H    VAL 113           HN       VAL 113  -5.135  -8.657  -6.532
  848    HA   VAL 113           HA       VAL 113  -6.092  -9.045  -3.959
  849    HB   VAL 113           HB       VAL 113  -7.124  -6.782  -5.606
  850   1HG1  VAL 113          HG11      VAL 113  -7.696  -6.131  -3.561
  851   2HG1  VAL 113          HG12      VAL 113  -5.976  -5.856  -3.270
  852   3HG1  VAL 113          HG13      VAL 113  -6.716  -7.392  -2.812
  853   1HG2  VAL 113          HG21      VAL 113  -4.261  -7.305  -4.832
  854   2HG2  VAL 113          HG22      VAL 113  -4.869  -5.672  -5.124
  855   3HG2  VAL 113          HG23      VAL 113  -4.906  -6.871  -6.417
  856    H    GLY 114           HN       GLY 114  -8.146  -9.186  -3.029
  857   1HA   GLY 114          HA2       GLY 114 -10.289  -9.679  -4.975
  858   2HA   GLY 114          HA1       GLY 114  -9.893 -10.938  -3.837
  859    H    TRP 115           HN       TRP 115 -11.454  -7.802  -4.202
  860    HA   TRP 115           HA       TRP 115 -12.213  -7.202  -1.669
  861   1HB   TRP 115          HB2       TRP 115 -13.665  -7.003  -4.275
  862   2HB   TRP 115          HB1       TRP 115 -14.564  -6.691  -2.798
  863    HD1  TRP 115           HD1      TRP 115 -12.700  -4.896  -5.325
  864    HE1  TRP 115           HE1      TRP 115 -11.980  -2.570  -4.482
  865    HE3  TRP 115           HE3      TRP 115 -13.482  -5.553  -0.319
  866    HZ2  TRP 115           HZ2      TRP 115 -11.767  -1.202  -2.040
  867    HZ3  TRP 115           HZ3      TRP 115 -12.990  -3.686   1.203
  868    HH2  TRP 115           HH2      TRP 115 -12.149  -1.555   0.362
  869    H    SER 116           HN       SER 116 -14.239  -7.618  -0.473
  870    HA   SER 116           HA       SER 116 -14.931 -10.468  -0.635
  871   1HB   SER 116          HB2       SER 116 -15.239  -8.495   1.647
  872   2HB   SER 116          HB1       SER 116 -15.736 -10.186   1.704
  873    HG   SER 116           HG       SER 116 -13.090  -9.318   1.168
  874    H    HIS 117           HN       HIS 117 -16.421  -7.268  -0.132
  875    HA   HIS 117           HA       HIS 117 -18.704  -7.983  -1.718
  876   1HB   HIS 117          HB2       HIS 117 -19.201  -8.995   0.542
  877   2HB   HIS 117          HB1       HIS 117 -19.213  -7.359   1.193
  878    HD1  HIS 117           HD1      HIS 117 -21.256  -9.769  -0.736
  879    HD2  HIS 117           HD2      HIS 117 -21.408  -5.759   0.341
  880    HE1  HIS 117           HE1      HIS 117 -23.613  -9.035  -1.214
  881    HE2  HIS 117           HE2      HIS 117 -23.653  -6.580  -0.647
  882    HA   PRO 118           HA       PRO 118 -18.138  -3.516  -1.880
  883   1HB   PRO 118          HB2       PRO 118 -19.066  -3.479  -4.546
  884   2HB   PRO 118          HB1       PRO 118 -17.387  -3.505  -4.011
  885   1HG   PRO 118          HG2       PRO 118 -18.699  -5.551  -5.396
  886   2HG   PRO 118          HG1       PRO 118 -17.160  -5.701  -4.531
  887   1HD   PRO 118          HD2       PRO 118 -19.912  -6.451  -3.652
  888   2HD   PRO 118          HD1       PRO 118 -18.360  -7.260  -3.327
  889    H    LEU 119           HN       LEU 119 -19.785  -2.115  -3.689
  890    HA   LEU 119           HA       LEU 119 -21.694  -0.842  -2.669
  891   1HB   LEU 119          HB2       LEU 119 -22.743  -2.446  -4.950
  892   2HB   LEU 119          HB1       LEU 119 -22.852  -0.729  -4.637
  893    HG   LEU 119           HG       LEU 119 -20.345  -2.146  -5.525
  894   1HD1  LEU 119          HD11      LEU 119 -22.306  -0.457  -7.051
  895   2HD1  LEU 119          HD12      LEU 119 -21.939  -2.163  -7.310
  896   3HD1  LEU 119          HD13      LEU 119 -20.717  -0.935  -7.645
  897   1HD2  LEU 119          HD21      LEU 119 -19.468   0.107  -5.850
  898   2HD2  LEU 119          HD22      LEU 119 -19.881  -0.194  -4.163
  899   3HD2  LEU 119          HD23      LEU 119 -20.950   0.781  -5.173
  900    HA   PRO 120           HA       PRO 120 -24.313  -3.753  -0.417
  901   1HB   PRO 120          HB2       PRO 120 -25.361  -1.983   1.290
  902   2HB   PRO 120          HB1       PRO 120 -23.681  -2.513   1.441
  903   1HG   PRO 120          HG2       PRO 120 -24.777   0.006   0.245
  904   2HG   PRO 120          HG1       PRO 120 -23.377  -0.206   1.312
  905   1HD   PRO 120          HD2       PRO 120 -23.205   0.053  -1.417
  906   2HD   PRO 120          HD1       PRO 120 -21.996  -0.777  -0.419
  907    H    GLN 121           HN       GLN 121 -26.769  -2.844   0.603
  908    HA   GLN 121           HA       GLN 121 -28.263  -2.330  -1.873
  909   1HB   GLN 121          HB2       GLN 121 -28.771  -4.028   0.523
  910   2HB   GLN 121          HB1       GLN 121 -30.146  -3.341  -0.318
  911   1HG   GLN 121          HG2       GLN 121 -29.662  -5.592  -1.093
  912   2HG   GLN 121          HG1       GLN 121 -29.442  -4.413  -2.384
  913   1HE2  GLN 121          HE21      GLN 121 -27.852  -6.588  -0.182
  914   2HE2  GLN 121          HE22      GLN 121 -26.321  -6.600  -0.984
  915    H    CYS 122           HN       CYS 122 -29.143  -0.365  -2.032
  916    HA   CYS 122           HA       CYS 122 -29.703   1.103   0.450
  917   1HB   CYS 122          HB2       CYS 122 -29.213   2.015  -2.377
  918   2HB   CYS 122          HB1       CYS 122 -29.948   3.079  -1.183
  919    H    GLU 123           HN       GLU 123 -31.730   0.892   1.160
  920    HA   GLU 123           HA       GLU 123 -33.926   0.974  -0.813
  921   1HB   GLU 123          HB2       GLU 123 -34.053  -0.555   1.777
  922   2HB   GLU 123          HB1       GLU 123 -35.154  -0.635   0.410
  923   1HG   GLU 123          HG2       GLU 123 -32.326  -1.643   0.484
  924   2HG   GLU 123          HG1       GLU 123 -33.792  -2.618   0.528
  925    H    ILE 124           HN       ILE 124 -35.775   1.998  -0.215
  926    HA   ILE 124           HA       ILE 124 -35.380   4.253   1.507
  927    HB   ILE 124           HB       ILE 124 -36.718   4.367  -0.587
  928   1HG1  ILE 124          HG12      ILE 124 -38.260   5.082   1.918
  929   2HG1  ILE 124          HG11      ILE 124 -36.964   6.046   1.218
  930   1HG2  ILE 124          HG21      ILE 124 -39.071   3.557  -0.490
  931   2HG2  ILE 124          HG22      ILE 124 -38.661   2.695   0.993
  932   3HG2  ILE 124          HG23      ILE 124 -37.867   2.270  -0.522
  933   1HD1  ILE 124          HD11      ILE 124 -38.281   6.440  -0.765
  934   2HD1  ILE 124          HD12      ILE 124 -39.188   6.912   0.672
  935   3HD1  ILE 124          HD13      ILE 124 -39.562   5.396  -0.149
  936    H    LEU 125           HN       LEU 125 -36.481   4.765   3.398
  937    HA   LEU 125           HA       LEU 125 -36.981   2.594   5.159
  938   1HB   LEU 125          HB2       LEU 125 -37.570   5.536   5.489
  939   2HB   LEU 125          HB1       LEU 125 -37.578   4.348   6.779
  940    HG   LEU 125           HG       LEU 125 -35.103   4.837   5.147
  941   1HD1  LEU 125          HD11      LEU 125 -36.012   6.986   6.117
  942   2HD1  LEU 125          HD12      LEU 125 -34.384   6.534   6.623
  943   3HD1  LEU 125          HD13      LEU 125 -35.749   6.273   7.709
  944   1HD2  LEU 125          HD21      LEU 125 -35.407   3.981   8.016
  945   2HD2  LEU 125          HD22      LEU 125 -33.967   3.888   6.998
  946   3HD2  LEU 125          HD23      LEU 125 -35.350   2.843   6.670
  947    H    GLU 126           HN       GLU 126 -38.889   4.093   2.841
  948    HA   GLU 126           HA       GLU 126 -41.400   3.409   4.210
  949   1HB   GLU 126          HB2       GLU 126 -40.991   5.729   3.191
  950   2HB   GLU 126          HB1       GLU 126 -41.136   4.941   1.626
  951   1HG   GLU 126          HG2       GLU 126 -43.395   4.190   2.240
  952   2HG   GLU 126          HG1       GLU 126 -43.244   5.053   3.770
  953    H    HIS 127           HN       HIS 127 -43.140   2.798   2.357
  954    HA   HIS 127           HA       HIS 127 -42.306   0.240   1.403
  955   1HB   HIS 127          HB2       HIS 127 -44.597   0.670   2.217
  956   2HB   HIS 127          HB1       HIS 127 -44.867   1.758   0.860
  957    HD1  HIS 127           HD1      HIS 127 -44.123  -1.905   1.507
  958    HD2  HIS 127           HD2      HIS 127 -45.835   0.548  -1.376
  959    HE1  HIS 127           HE1      HIS 127 -45.112  -3.463  -0.201
  960    HE2  HIS 127           HE2      HIS 127 -46.250  -1.956  -1.867
  961    H    HIS 128           HN       HIS 128 -44.158   2.444  -0.633
  962    HA   HIS 128           HA       HIS 128 -42.164   3.145  -2.462
  963   1HB   HIS 128          HB2       HIS 128 -42.055   0.704  -2.881
  964   2HB   HIS 128          HB1       HIS 128 -43.759   0.720  -3.327
  965    HD1  HIS 128           HD1      HIS 128 -40.370   1.543  -4.608
  966    HD2  HIS 128           HD2      HIS 128 -44.322   1.901  -5.838
  967    HE1  HIS 128           HE1      HIS 128 -40.263   2.099  -7.057
  968    HE2  HIS 128           HE2      HIS 128 -42.663   2.430  -7.749
  969    H    HIS 129           HN       HIS 129 -42.956   4.358  -4.207
  970    HA   HIS 129           HA       HIS 129 -45.871   4.709  -4.331
  971   1HB   HIS 129          HB2       HIS 129 -44.831   6.499  -2.924
  972   2HB   HIS 129          HB1       HIS 129 -43.882   6.990  -4.324
  973    HD1  HIS 129           HD1      HIS 129 -47.442   6.885  -3.088
  974    HD2  HIS 129           HD2      HIS 129 -45.193   8.609  -6.127
  975    HE1  HIS 129           HE1      HIS 129 -48.969   8.551  -4.192
  976    HE2  HIS 129           HE2      HIS 129 -47.602   9.547  -6.059
  977    H    HIS 130           HN       HIS 130 -46.698   5.245  -6.347
  978    HA   HIS 130           HA       HIS 130 -45.171   4.406  -8.588
  979   1HB   HIS 130          HB2       HIS 130 -47.846   5.812  -8.442
  980   2HB   HIS 130          HB1       HIS 130 -47.158   5.124  -9.909
  981    HD1  HIS 130           HD1      HIS 130 -49.145   4.266  -6.963
  982    HD2  HIS 130           HD2      HIS 130 -46.900   2.233  -9.809
  983    HE1  HIS 130           HE1      HIS 130 -49.855   1.860  -6.787
  984    HE2  HIS 130           HE2      HIS 130 -48.457   0.641  -8.492
  985    H    HIS 131           HN       HIS 131 -45.640   6.024 -10.662
  986    HA   HIS 131           HA       HIS 131 -43.994   8.361 -10.029
  987   1HB   HIS 131          HB2       HIS 131 -43.222   6.810 -11.808
  988   2HB   HIS 131          HB1       HIS 131 -44.679   7.175 -12.727
  989    HD1  HIS 131           HD1      HIS 131 -44.756   9.394 -13.993
  990    HD2  HIS 131           HD2      HIS 131 -41.303   8.888 -11.739
  991    HE1  HIS 131           HE1      HIS 131 -43.198  11.225 -14.731
  992    HE2  HIS 131           HE2      HIS 131 -41.082  10.841 -13.420
  993    H    HIS 132           HN       HIS 132 -46.703   7.635 -12.241
  994    HA   HIS 132           HA       HIS 132 -47.980  10.135 -11.422
  995   1HB   HIS 132          HB2       HIS 132 -46.598  10.567 -13.476
  996   2HB   HIS 132          HB1       HIS 132 -47.607   9.405 -14.331
  997    HD1  HIS 132           HD1      HIS 132 -49.838  10.213 -15.193
  998    HD2  HIS 132           HD2      HIS 132 -47.970  12.966 -12.703
  999    HE1  HIS 132           HE1      HIS 132 -51.191  12.324 -15.390
 1000    HE2  HIS 132           HE2      HIS 132 -49.983  14.003 -13.953
  Start of MODEL   29
    1   1H    MET   0           HT1      MET   0  33.606  -3.449  -2.813
    2   2H    MET   0           HT2      MET   0  35.101  -3.590  -2.036
    3   3H    MET   0           HT3      MET   0  34.516  -2.064  -2.468
    4    HA   MET   0           HA       MET   0  33.302  -3.886  -0.474
    5   1HB   MET   0          HB2       MET   0  35.372  -2.913   0.349
    6   2HB   MET   0          HB1       MET   0  34.854  -1.310  -0.154
    7   1HG   MET   0          HG2       MET   0  33.048  -1.365   1.472
    8   2HG   MET   0          HG1       MET   0  33.523  -2.991   1.958
    9   1HE   MET   0          HE1       MET   0  36.740  -2.772   1.940
   10   2HE   MET   0          HE2       MET   0  35.754  -3.584   3.156
   11   3HE   MET   0          HE3       MET   0  36.976  -2.412   3.651
   12    H    ASN   1           HN       ASN   1  33.139  -0.913  -2.324
   13    HA   ASN   1           HA       ASN   1  30.642  -0.136  -1.059
   14   1HB   ASN   1          HB2       ASN   1  32.517   1.153  -3.001
   15   2HB   ASN   1          HB1       ASN   1  30.858   1.737  -2.888
   16   1HD2  ASN   1          HD21      ASN   1  30.555   1.167  -0.110
   17   2HD2  ASN   1          HD22      ASN   1  31.492   2.323   0.764
   18    H    CYS   2           HN       CYS   2  28.687   0.168  -2.197
   19    HA   CYS   2           HA       CYS   2  28.347  -1.770  -4.353
   20   1HB   CYS   2          HB2       CYS   2  26.372  -0.408  -2.526
   21   2HB   CYS   2          HB1       CYS   2  25.893  -1.442  -3.869
   22    H    GLY   3           HN       GLY   3  28.857   1.503  -4.106
   23   1HA   GLY   3          HA2       GLY   3  28.831   3.063  -5.833
   24   2HA   GLY   3          HA1       GLY   3  27.871   1.947  -6.794
   25    HA   PRO   4           HA       PRO   4  25.451   5.773  -4.995
   26   1HB   PRO   4          HB2       PRO   4  24.748   5.627  -7.906
   27   2HB   PRO   4          HB1       PRO   4  24.865   7.041  -6.850
   28   1HG   PRO   4          HG2       PRO   4  26.840   6.462  -8.535
   29   2HG   PRO   4          HG1       PRO   4  27.195   7.041  -6.897
   30   1HD   PRO   4          HD2       PRO   4  27.449   4.305  -8.036
   31   2HD   PRO   4          HD1       PRO   4  28.398   5.092  -6.758
   32    HA   PRO   5           HA       PRO   5  21.985   3.072  -4.519
   33   1HB   PRO   5          HB2       PRO   5  20.324   5.402  -3.924
   34   2HB   PRO   5          HB1       PRO   5  20.856   4.106  -2.850
   35   1HG   PRO   5          HG2       PRO   5  21.792   6.634  -2.648
   36   2HG   PRO   5          HG1       PRO   5  22.778   5.215  -2.245
   37   1HD   PRO   5          HD2       PRO   5  22.787   6.887  -4.733
   38   2HD   PRO   5          HD1       PRO   5  24.158   6.221  -3.819
   39    HA   PRO   6           HA       PRO   6  20.219   3.551  -8.692
   40   1HB   PRO   6          HB2       PRO   6  18.816   1.156  -8.400
   41   2HB   PRO   6          HB1       PRO   6  20.420   1.323  -9.119
   42   1HG   PRO   6          HG2       PRO   6  19.641   0.479  -6.370
   43   2HG   PRO   6          HG1       PRO   6  20.975  -0.093  -7.389
   44   1HD   PRO   6          HD2       PRO   6  21.389   1.578  -5.332
   45   2HD   PRO   6          HD1       PRO   6  22.332   1.698  -6.832
   46    H    THR   7           HN       THR   7  17.881   2.868  -9.370
   47    HA   THR   7           HA       THR   7  16.050   4.351  -7.617
   48    HB   THR   7           HB       THR   7  15.730   3.672 -10.547
   49    HG1  THR   7           HG1      THR   7  17.276   5.490  -9.411
   50   1HG2  THR   7          HG21      THR   7  13.940   5.366 -10.478
   51   2HG2  THR   7          HG22      THR   7  14.168   5.518  -8.735
   52   3HG2  THR   7          HG23      THR   7  13.596   3.997  -9.421
   53    H    LEU   8           HN       LEU   8  14.359   3.321  -6.677
   54    HA   LEU   8           HA       LEU   8  13.793   0.582  -7.575
   55   1HB   LEU   8          HB2       LEU   8  13.377   1.730  -4.819
   56   2HB   LEU   8          HB1       LEU   8  13.183   0.055  -5.300
   57    HG   LEU   8           HG       LEU   8  15.701   0.228  -5.963
   58   1HD1  LEU   8          HD11      LEU   8  15.454   2.480  -3.979
   59   2HD1  LEU   8          HD12      LEU   8  15.925   2.622  -5.673
   60   3HD1  LEU   8          HD13      LEU   8  16.965   1.763  -4.537
   61   1HD2  LEU   8          HD21      LEU   8  14.830   0.165  -3.077
   62   2HD2  LEU   8          HD22      LEU   8  16.345  -0.472  -3.718
   63   3HD2  LEU   8          HD23      LEU   8  14.811  -1.202  -4.193
   64    H    SER   9           HN       SER   9  11.496   0.063  -6.251
   65    HA   SER   9           HA       SER   9   9.602   2.089  -7.242
   66   1HB   SER   9          HB2       SER   9   8.107   0.231  -7.944
   67   2HB   SER   9          HB1       SER   9   9.637   0.244  -8.823
   68    HG   SER   9           HG       SER   9   8.744  -1.824  -7.801
   69    H    PHE  10           HN       PHE  10   9.703  -0.883  -5.263
   70    HA   PHE  10           HA       PHE  10   7.418  -0.327  -3.760
   71   1HB   PHE  10          HB2       PHE  10   9.754  -1.803  -2.590
   72   2HB   PHE  10          HB1       PHE  10   8.037  -2.095  -2.354
   73    HD1  PHE  10           HD1      PHE  10  10.931  -2.725  -4.448
   74    HD2  PHE  10           HD2      PHE  10   6.727  -3.253  -4.066
   75    HE1  PHE  10           HE1      PHE  10  10.997  -4.461  -6.188
   76    HE2  PHE  10           HE2      PHE  10   6.784  -4.990  -5.808
   77    HZ   PHE  10           HZ       PHE  10   8.921  -5.597  -6.871
   78    H    ALA  11           HN       ALA  11  10.473   1.167  -3.691
   79    HA   ALA  11           HA       ALA  11   9.624   2.779  -1.411
   80   1HB   ALA  11          HB1       ALA  11  10.851   1.033  -0.339
   81   2HB   ALA  11          HB2       ALA  11  11.814   2.511  -0.303
   82   3HB   ALA  11          HB3       ALA  11  12.202   1.235  -1.456
   83    H    ALA  12           HN       ALA  12  10.680   4.711  -1.162
   84    HA   ALA  12           HA       ALA  12  12.556   5.526  -3.279
   85   1HB   ALA  12          HB1       ALA  12  10.275   6.420  -3.663
   86   2HB   ALA  12          HB2       ALA  12  11.477   7.683  -3.390
   87   3HB   ALA  12          HB3       ALA  12  10.361   7.233  -2.099
   88    HA   PRO  13           HA       PRO  13  15.192   7.175  -0.161
   89   1HB   PRO  13          HB2       PRO  13  15.698   9.762  -0.881
   90   2HB   PRO  13          HB1       PRO  13  16.425   8.362  -1.675
   91   1HG   PRO  13          HG2       PRO  13  14.105  10.038  -2.531
   92   2HG   PRO  13          HG1       PRO  13  15.412   9.348  -3.510
   93   1HD   PRO  13          HD2       PRO  13  12.931   8.263  -3.392
   94   2HD   PRO  13          HD1       PRO  13  14.390   7.289  -3.641
   95    H    MET  14           HN       MET  14  15.174   8.170   1.820
   96    HA   MET  14           HA       MET  14  13.295  10.303   2.369
   97   1HB   MET  14          HB2       MET  14  11.863   8.354   2.607
   98   2HB   MET  14          HB1       MET  14  13.025   7.602   3.690
   99   1HG   MET  14          HG2       MET  14  11.108   8.547   4.879
  100   2HG   MET  14          HG1       MET  14  12.631   9.291   5.360
  101   1HE   MET  14          HE1       MET  14   9.477  11.286   2.651
  102   2HE   MET  14          HE2       MET  14   9.385   9.637   3.270
  103   3HE   MET  14          HE3       MET  14  10.569  10.049   2.029
  104    H    ASP  15           HN       ASP  15  15.984   8.339   3.216
  105    HA   ASP  15           HA       ASP  15  16.940  10.385   5.012
  106   1HB   ASP  15          HB2       ASP  15  15.510   8.847   6.423
  107   2HB   ASP  15          HB1       ASP  15  16.687   7.581   6.096
  108    H    ILE  16           HN       ILE  16  18.517  10.527   3.370
  109    HA   ILE  16           HA       ILE  16  20.845   9.017   3.862
  110    HB   ILE  16           HB       ILE  16  19.905   7.314   2.551
  111   1HG1  ILE  16          HG12      ILE  16  21.302   7.335   0.487
  112   2HG1  ILE  16          HG11      ILE  16  21.710   9.008   0.837
  113   1HG2  ILE  16          HG21      ILE  16  18.929   7.674   0.328
  114   2HG2  ILE  16          HG22      ILE  16  19.117   9.413   0.556
  115   3HG2  ILE  16          HG23      ILE  16  18.036   8.497   1.608
  116   1HD1  ILE  16          HD11      ILE  16  22.341   6.631   2.569
  117   2HD1  ILE  16          HD12      ILE  16  22.727   8.310   2.947
  118   3HD1  ILE  16          HD13      ILE  16  23.477   7.523   1.559
  119    H    THR  17           HN       THR  17  21.897  10.949   4.037
  120    HA   THR  17           HA       THR  17  21.651  13.163   2.393
  121    HB   THR  17           HB       THR  17  24.017  13.713   3.008
  122    HG1  THR  17           HG1      THR  17  23.856  11.217   4.383
  123   1HG2  THR  17          HG21      THR  17  22.069  14.296   4.447
  124   2HG2  THR  17          HG22      THR  17  23.569  14.072   5.348
  125   3HG2  THR  17          HG23      THR  17  22.341  12.805   5.349
  126    H    LEU  18           HN       LEU  18  21.864  13.282   0.263
  127    HA   LEU  18           HA       LEU  18  23.228  11.267  -1.207
  128   1HB   LEU  18          HB2       LEU  18  21.585  13.653  -1.824
  129   2HB   LEU  18          HB1       LEU  18  22.695  13.129  -3.070
  130    HG   LEU  18           HG       LEU  18  20.565  12.147  -3.523
  131   1HD1  LEU  18          HD11      LEU  18  22.507  10.714  -3.914
  132   2HD1  LEU  18          HD12      LEU  18  21.088   9.769  -3.462
  133   3HD1  LEU  18          HD13      LEU  18  22.362  10.069  -2.279
  134   1HD2  LEU  18          HD21      LEU  18  19.567  12.361  -1.327
  135   2HD2  LEU  18          HD22      LEU  18  20.638  11.112  -0.695
  136   3HD2  LEU  18          HD23      LEU  18  19.422  10.700  -1.905
  137    H    THR  19           HN       THR  19  24.883  12.798   0.586
  138    HA   THR  19           HA       THR  19  26.521  14.498  -1.115
  139    HB   THR  19           HB       THR  19  27.743  15.075   0.883
  140    HG1  THR  19           HG1      THR  19  26.623  12.721   1.807
  141   1HG2  THR  19          HG21      THR  19  25.879  15.893   2.331
  142   2HG2  THR  19          HG22      THR  19  24.762  14.944   1.346
  143   3HG2  THR  19          HG23      THR  19  25.673  16.269   0.620
  144    H    GLU  20           HN       GLU  20  26.422  11.273   0.040
  145    HA   GLU  20           HA       GLU  20  29.253  10.843  -0.599
  146   1HB   GLU  20          HB2       GLU  20  27.285   8.977   0.736
  147   2HB   GLU  20          HB1       GLU  20  29.007   8.688   0.528
  148   1HG   GLU  20          HG2       GLU  20  29.522  10.556   1.986
  149   2HG   GLU  20          HG1       GLU  20  27.803  10.914   2.158
  150    H    THR  21           HN       THR  21  29.869   9.747  -2.360
  151    HA   THR  21           HA       THR  21  27.848   8.929  -4.265
  152    HB   THR  21           HB       THR  21  30.306   8.177  -5.305
  153    HG1  THR  21           HG1      THR  21  31.479   9.216  -3.722
  154   1HG2  THR  21          HG21      THR  21  30.069  10.203  -6.695
  155   2HG2  THR  21          HG22      THR  21  28.825  10.794  -5.593
  156   3HG2  THR  21          HG23      THR  21  28.548   9.326  -6.530
  157    H    ARG  22           HN       ARG  22  29.929   7.482  -1.945
  158    HA   ARG  22           HA       ARG  22  29.178   4.805  -2.912
  159   1HB   ARG  22          HB2       ARG  22  31.719   5.545  -1.462
  160   2HB   ARG  22          HB1       ARG  22  31.268   3.942  -2.024
  161   1HG   ARG  22          HG2       ARG  22  31.364   4.711  -4.335
  162   2HG   ARG  22          HG1       ARG  22  31.799   6.329  -3.781
  163   1HD   ARG  22          HD2       ARG  22  33.840   5.454  -2.782
  164   2HD   ARG  22          HD1       ARG  22  33.399   3.822  -3.284
  165    HE   ARG  22           HE       ARG  22  33.456   5.494  -5.540
  166   1HH1  ARG  22          HH11      ARG  22  35.610   4.045  -3.216
  167   2HH1  ARG  22          HH12      ARG  22  36.954   3.985  -4.306
  168   1HH2  ARG  22          HH21      ARG  22  35.221   5.420  -6.983
  169   2HH2  ARG  22          HH22      ARG  22  36.734   4.767  -6.446
  170    H    PHE  23           HN       PHE  23  29.127   3.164  -1.114
  171    HA   PHE  23           HA       PHE  23  28.671   4.233   1.556
  172   1HB   PHE  23          HB2       PHE  23  26.538   2.530   0.268
  173   2HB   PHE  23          HB1       PHE  23  26.444   3.437   1.774
  174    HD1  PHE  23           HD1      PHE  23  25.631   5.630   1.802
  175    HD2  PHE  23           HD2      PHE  23  26.692   3.818  -1.896
  176    HE1  PHE  23           HE1      PHE  23  24.659   7.538   0.591
  177    HE2  PHE  23           HE2      PHE  23  25.732   5.719  -3.113
  178    HZ   PHE  23           HZ       PHE  23  24.707   7.586  -1.872
  179    H    LYS  24           HN       LYS  24  29.927   2.970   2.765
  180    HA   LYS  24           HA       LYS  24  31.080   0.583   2.029
  181   1HB   LYS  24          HB2       LYS  24  30.420   1.272   4.887
  182   2HB   LYS  24          HB1       LYS  24  31.766   0.308   4.296
  183   1HG   LYS  24          HG2       LYS  24  32.650   2.348   3.174
  184   2HG   LYS  24          HG1       LYS  24  31.370   3.273   3.963
  185   1HD   LYS  24          HD2       LYS  24  32.226   2.480   6.156
  186   2HD   LYS  24          HD1       LYS  24  33.571   1.713   5.310
  187   1HE   LYS  24          HE2       LYS  24  34.282   3.853   6.166
  188   2HE   LYS  24          HE1       LYS  24  34.215   3.919   4.406
  189   1HZ   LYS  24          HZ1       LYS  24  32.136   4.963   6.252
  190   2HZ   LYS  24          HZ2       LYS  24  32.076   5.031   4.564
  191   3HZ   LYS  24          HZ3       LYS  24  33.260   5.900   5.402
  192    H    THR  25           HN       THR  25  30.856  -1.550   3.177
  193    HA   THR  25           HA       THR  25  28.321  -2.648   2.586
  194    HB   THR  25           HB       THR  25  29.389  -4.619   3.954
  195    HG1  THR  25           HG1      THR  25  31.169  -3.576   4.776
  196   1HG2  THR  25          HG21      THR  25  30.520  -3.791   1.283
  197   2HG2  THR  25          HG22      THR  25  28.945  -4.548   1.504
  198   3HG2  THR  25          HG23      THR  25  30.413  -5.434   1.918
  199    H    GLY  26           HN       GLY  26  29.312  -0.931   5.244
  200   1HA   GLY  26          HA2       GLY  26  27.618  -2.437   7.117
  201   2HA   GLY  26          HA1       GLY  26  28.767  -1.181   7.559
  202    H    THR  27           HN       THR  27  27.576   0.230   5.082
  203    HA   THR  27           HA       THR  27  25.952   2.056   6.462
  204    HB   THR  27           HB       THR  27  27.200   2.328   4.204
  205    HG1  THR  27           HG1      THR  27  26.021   4.028   5.109
  206   1HG2  THR  27          HG21      THR  27  24.504   1.703   3.051
  207   2HG2  THR  27          HG22      THR  27  25.733   0.446   3.205
  208   3HG2  THR  27          HG23      THR  27  26.056   1.878   2.226
  209    H    THR  28           HN       THR  28  23.692   2.624   5.869
  210    HA   THR  28           HA       THR  28  21.971   0.589   4.831
  211    HB   THR  28           HB       THR  28  21.794   1.219   7.789
  212    HG1  THR  28           HG1      THR  28  21.991  -1.392   6.810
  213   1HG2  THR  28          HG21      THR  28  20.022  -0.508   6.057
  214   2HG2  THR  28          HG22      THR  28  19.578   1.041   6.773
  215   3HG2  THR  28          HG23      THR  28  19.907  -0.348   7.809
  216    H    LEU  29           HN       LEU  29  20.412   1.617   3.796
  217    HA   LEU  29           HA       LEU  29  19.942   4.427   4.380
  218   1HB   LEU  29          HB2       LEU  29  18.838   2.716   2.150
  219   2HB   LEU  29          HB1       LEU  29  18.679   4.456   2.286
  220    HG   LEU  29           HG       LEU  29  21.277   4.465   2.255
  221   1HD1  LEU  29          HD11      LEU  29  20.720   1.788   0.988
  222   2HD1  LEU  29          HD12      LEU  29  21.537   2.044   2.529
  223   3HD1  LEU  29          HD13      LEU  29  22.275   2.618   1.034
  224   1HD2  LEU  29          HD21      LEU  29  21.261   4.434  -0.228
  225   2HD2  LEU  29          HD22      LEU  29  19.981   5.420   0.477
  226   3HD2  LEU  29          HD23      LEU  29  19.609   3.823  -0.170
  227    H    LYS  30           HN       LYS  30  17.381   4.912   3.734
  228    HA   LYS  30           HA       LYS  30  15.890   3.387   5.760
  229   1HB   LYS  30          HB2       LYS  30  16.321   5.994   5.873
  230   2HB   LYS  30          HB1       LYS  30  14.941   6.042   4.782
  231   1HG   LYS  30          HG2       LYS  30  14.959   4.753   7.505
  232   2HG   LYS  30          HG1       LYS  30  14.297   6.343   7.128
  233   1HD   LYS  30          HD2       LYS  30  12.666   5.347   5.638
  234   2HD   LYS  30          HD1       LYS  30  13.366   3.749   5.903
  235   1HE   LYS  30          HE2       LYS  30  12.028   5.483   7.977
  236   2HE   LYS  30          HE1       LYS  30  11.354   4.032   7.235
  237   1HZ   LYS  30          HZ1       LYS  30  13.737   4.170   8.998
  238   2HZ   LYS  30          HZ2       LYS  30  13.218   2.772   8.201
  239   3HZ   LYS  30          HZ3       LYS  30  12.234   3.488   9.377
  240    H    TYR  31           HN       TYR  31  14.809   5.484   3.130
  241    HA   TYR  31           HA       TYR  31  13.481   5.140   1.329
  242   1HB   TYR  31          HB2       TYR  31  14.144   2.279   1.938
  243   2HB   TYR  31          HB1       TYR  31  12.962   2.684   0.699
  244    HD1  TYR  31           HD1      TYR  31  16.495   2.698   1.602
  245    HD2  TYR  31           HD2      TYR  31  13.645   3.835  -1.344
  246    HE1  TYR  31           HE1      TYR  31  18.312   3.032  -0.018
  247    HE2  TYR  31           HE2      TYR  31  15.453   4.172  -2.974
  248    HH   TYR  31           HH       TYR  31  17.847   4.615  -3.004
  249    H    THR  32           HN       THR  32  11.409   5.517   1.212
  250    HA   THR  32           HA       THR  32   9.623   4.352   3.243
  251    HB   THR  32           HB       THR  32   9.539   6.675   3.542
  252    HG1  THR  32           HG1      THR  32   7.435   6.473   3.469
  253   1HG2  THR  32          HG21      THR  32   9.473   6.924   0.536
  254   2HG2  THR  32          HG22      THR  32  10.783   7.400   1.617
  255   3HG2  THR  32          HG23      THR  32   9.250   8.272   1.651
  256    H    CYS  33           HN       CYS  33   7.305   4.055   2.450
  257    HA   CYS  33           HA       CYS  33   7.399   3.033  -0.313
  258   1HB   CYS  33          HB2       CYS  33   5.763   1.984   2.000
  259   2HB   CYS  33          HB1       CYS  33   5.778   1.329   0.366
  260    H    LEU  34           HN       LEU  34   6.132   3.763  -1.691
  261    HA   LEU  34           HA       LEU  34   4.572   6.004  -1.561
  262   1HB   LEU  34          HB2       LEU  34   3.980   3.716  -3.430
  263   2HB   LEU  34          HB1       LEU  34   3.679   5.422  -3.703
  264    HG   LEU  34           HG       LEU  34   6.423   4.170  -3.468
  265   1HD1  LEU  34          HD11      LEU  34   6.595   4.509  -5.863
  266   2HD1  LEU  34          HD12      LEU  34   4.945   5.131  -5.912
  267   3HD1  LEU  34          HD13      LEU  34   5.239   3.445  -5.486
  268   1HD2  LEU  34          HD21      LEU  34   6.260   6.541  -2.760
  269   2HD2  LEU  34          HD22      LEU  34   5.633   6.939  -4.360
  270   3HD2  LEU  34          HD23      LEU  34   7.268   6.299  -4.187
  271    HA   PRO  35           HA       PRO  35   0.749   5.260   0.462
  272   1HB   PRO  35          HB2       PRO  35  -1.021   6.369  -1.371
  273   2HB   PRO  35          HB1       PRO  35  -0.137   7.265  -0.132
  274   1HG   PRO  35          HG2       PRO  35   0.496   6.910  -3.030
  275   2HG   PRO  35          HG1       PRO  35   0.674   8.350  -2.010
  276   1HD   PRO  35          HD2       PRO  35   2.788   6.850  -2.673
  277   2HD   PRO  35          HD1       PRO  35   2.651   7.581  -1.059
  278    H    GLY  36           HN       GLY  36   0.247   3.153   0.535
  279   1HA   GLY  36          HA2       GLY  36  -1.667   1.731  -0.290
  280   2HA   GLY  36          HA1       GLY  36  -0.942   1.931  -1.879
  281    H    TYR  37           HN       TYR  37   1.791   1.749  -0.874
  282    HA   TYR  37           HA       TYR  37   2.183  -1.039  -1.190
  283   1HB   TYR  37          HB2       TYR  37   3.913   1.264  -0.332
  284   2HB   TYR  37          HB1       TYR  37   4.485  -0.375  -0.050
  285    HD1  TYR  37           HD1      TYR  37   4.563  -1.947  -2.103
  286    HD2  TYR  37           HD2      TYR  37   4.303   2.292  -2.381
  287    HE1  TYR  37           HE1      TYR  37   5.427  -2.051  -4.402
  288    HE2  TYR  37           HE2      TYR  37   5.166   2.198  -4.682
  289    HH   TYR  37           HH       TYR  37   6.497   0.693  -6.091
  290    H    VAL  38           HN       VAL  38   0.856  -2.092   0.347
  291    HA   VAL  38           HA       VAL  38   0.754  -1.524   3.068
  292    HB   VAL  38           HB       VAL  38  -0.256  -3.460   1.135
  293   1HG1  VAL  38          HG11      VAL  38   0.767  -5.065   2.637
  294   2HG1  VAL  38          HG12      VAL  38  -0.995  -5.145   2.674
  295   3HG1  VAL  38          HG13      VAL  38  -0.118  -4.363   3.994
  296   1HG2  VAL  38          HG21      VAL  38  -1.498  -2.258   3.594
  297   2HG2  VAL  38          HG22      VAL  38  -2.337  -3.066   2.266
  298   3HG2  VAL  38          HG23      VAL  38  -1.500  -1.539   1.982
  299    H    ARG  39           HN       ARG  39   1.204  -3.330   4.748
  300    HA   ARG  39           HA       ARG  39   3.974  -4.216   4.335
  301   1HB   ARG  39          HB2       ARG  39   4.163  -4.232   6.800
  302   2HB   ARG  39          HB1       ARG  39   3.762  -2.642   6.163
  303   1HG   ARG  39          HG2       ARG  39   1.476  -2.882   6.830
  304   2HG   ARG  39          HG1       ARG  39   1.742  -4.564   7.296
  305   1HD   ARG  39          HD2       ARG  39   3.337  -3.803   9.017
  306   2HD   ARG  39          HD1       ARG  39   2.983  -2.132   8.578
  307    HE   ARG  39           HE       ARG  39   0.553  -3.290   9.163
  308   1HH1  ARG  39          HH11      ARG  39   3.551  -2.709  10.839
  309   2HH1  ARG  39          HH12      ARG  39   2.804  -2.579  12.396
  310   1HH2  ARG  39          HH21      ARG  39  -0.439  -3.121  11.208
  311   2HH2  ARG  39          HH22      ARG  39   0.536  -2.814  12.606
  312    H    SER  40           HN       SER  40   4.568  -6.277   4.597
  313    HA   SER  40           HA       SER  40   3.161  -8.258   6.002
  314   1HB   SER  40          HB2       SER  40   1.508  -8.010   4.187
  315   2HB   SER  40          HB1       SER  40   2.768  -8.349   2.999
  316    HG   SER  40           HG       SER  40   1.356 -10.156   3.749
  317    H    HIS  41           HN       HIS  41   5.695  -7.079   4.220
  318    HA   HIS  41           HA       HIS  41   7.033  -9.682   3.995
  319   1HB   HIS  41          HB2       HIS  41   7.446  -7.022   2.676
  320   2HB   HIS  41          HB1       HIS  41   8.780  -8.167   2.768
  321    HD1  HIS  41           HD1      HIS  41   5.942  -7.284   0.722
  322    HD2  HIS  41           HD2      HIS  41   8.073 -10.759   1.522
  323    HE1  HIS  41           HE1      HIS  41   5.389  -8.858  -1.158
  324    HE2  HIS  41           HE2      HIS  41   6.653 -10.972  -0.629
  325    H    SER  42           HN       SER  42   9.669  -8.370   3.959
  326    HA   SER  42           HA       SER  42  10.364  -8.715   6.650
  327   1HB   SER  42          HB2       SER  42  11.971  -9.025   4.832
  328   2HB   SER  42          HB1       SER  42  11.900  -7.303   4.464
  329    HG   SER  42           HG       SER  42  12.443  -7.662   7.069
  330    H    THR  43           HN       THR  43  11.461  -5.752   5.201
  331    HA   THR  43           HA       THR  43   9.829  -4.097   6.937
  332    HB   THR  43           HB       THR  43  12.826  -4.051   7.221
  333    HG1  THR  43           HG1      THR  43  12.324  -4.915   9.350
  334   1HG2  THR  43          HG21      THR  43  10.650  -2.640   8.773
  335   2HG2  THR  43          HG22      THR  43  11.747  -1.889   7.615
  336   3HG2  THR  43          HG23      THR  43  12.378  -2.560   9.118
  337    H    GLN  44           HN       GLN  44  12.917  -2.873   6.100
  338    HA   GLN  44           HA       GLN  44  12.632  -2.014   3.490
  339   1HB   GLN  44          HB2       GLN  44  11.969   0.403   3.910
  340   2HB   GLN  44          HB1       GLN  44  10.677  -0.784   4.005
  341   1HG   GLN  44          HG2       GLN  44  10.822  -0.759   6.439
  342   2HG   GLN  44          HG1       GLN  44  12.131   0.418   6.351
  343   1HE2  GLN  44          HE21      GLN  44  11.678   2.538   5.806
  344   2HE2  GLN  44          HE22      GLN  44  10.072   3.173   5.807
  345    H    THR  45           HN       THR  45  14.818  -2.083   3.294
  346    HA   THR  45           HA       THR  45  16.380   0.116   4.100
  347    HB   THR  45           HB       THR  45  17.977  -1.585   5.471
  348    HG1  THR  45           HG1      THR  45  16.704  -2.820   6.854
  349   1HG2  THR  45          HG21      THR  45  15.794   0.186   6.564
  350   2HG2  THR  45          HG22      THR  45  17.468   0.627   6.238
  351   3HG2  THR  45          HG23      THR  45  17.092  -0.500   7.539
  352    H    LEU  46           HN       LEU  46  18.340   0.173   3.078
  353    HA   LEU  46           HA       LEU  46  18.956  -2.095   1.287
  354   1HB   LEU  46          HB2       LEU  46  18.897   0.821   0.850
  355   2HB   LEU  46          HB1       LEU  46  20.318   0.018   0.211
  356    HG   LEU  46           HG       LEU  46  18.838  -1.498  -1.086
  357   1HD1  LEU  46          HD11      LEU  46  16.637   0.317  -0.118
  358   2HD1  LEU  46          HD12      LEU  46  16.874  -1.360   0.371
  359   3HD1  LEU  46          HD13      LEU  46  16.479  -0.978  -1.304
  360   1HD2  LEU  46          HD21      LEU  46  18.259   0.095  -2.786
  361   2HD2  LEU  46          HD22      LEU  46  19.777   0.599  -2.041
  362   3HD2  LEU  46          HD23      LEU  46  18.272   1.413  -1.615
  363    H    THR  47           HN       THR  47  20.880  -3.095   1.613
  364    HA   THR  47           HA       THR  47  22.924  -1.633   3.169
  365    HB   THR  47           HB       THR  47  22.667  -4.616   3.368
  366    HG1  THR  47           HG1      THR  47  21.400  -4.113   5.343
  367   1HG2  THR  47          HG21      THR  47  24.671  -3.616   4.272
  368   2HG2  THR  47          HG22      THR  47  23.653  -4.152   5.610
  369   3HG2  THR  47          HG23      THR  47  23.724  -2.441   5.185
  370    H    CYS  48           HN       CYS  48  25.107  -2.048   2.654
  371    HA   CYS  48           HA       CYS  48  25.452  -3.152  -0.008
  372   1HB   CYS  48          HB2       CYS  48  26.564  -0.965   0.829
  373   2HB   CYS  48          HB1       CYS  48  27.648  -2.011   1.726
  374    H    ASN  49           HN       ASN  49  25.878  -5.224  -0.236
  375    HA   ASN  49           HA       ASN  49  27.167  -6.665   1.967
  376   1HB   ASN  49          HB2       ASN  49  26.242  -8.666   1.092
  377   2HB   ASN  49          HB1       ASN  49  24.963  -7.465   0.948
  378   1HD2  ASN  49          HD21      ASN  49  26.247  -6.152  -1.329
  379   2HD2  ASN  49          HD22      ASN  49  25.978  -7.190  -2.684
  380    H    SER  50           HN       SER  50  28.629  -8.554   1.101
  381    HA   SER  50           HA       SER  50  30.709  -7.316  -0.451
  382   1HB   SER  50          HB2       SER  50  31.270  -8.794   1.435
  383   2HB   SER  50          HB1       SER  50  30.486 -10.147   0.619
  384    HG   SER  50           HG       SER  50  32.683 -10.249   0.222
  385    H    ASP  51           HN       ASP  51  29.036  -7.062  -2.209
  386    HA   ASP  51           HA       ASP  51  29.474  -9.061  -4.283
  387   1HB   ASP  51          HB2       ASP  51  27.303  -9.598  -2.969
  388   2HB   ASP  51          HB1       ASP  51  26.665  -8.146  -3.734
  389    H    GLY  52           HN       GLY  52  29.440  -5.996  -3.218
  390   1HA   GLY  52          HA2       GLY  52  29.495  -3.938  -4.222
  391   2HA   GLY  52          HA1       GLY  52  29.794  -4.803  -5.722
  392    H    GLU  53           HN       GLU  53  26.978  -5.643  -4.085
  393    HA   GLU  53           HA       GLU  53  25.320  -3.780  -5.657
  394   1HB   GLU  53          HB2       GLU  53  23.912  -5.467  -6.416
  395   2HB   GLU  53          HB1       GLU  53  25.501  -6.214  -6.533
  396   1HG   GLU  53          HG2       GLU  53  25.087  -7.297  -4.335
  397   2HG   GLU  53          HG1       GLU  53  23.453  -6.642  -4.370
  398    H    TRP  54           HN       TRP  54  23.202  -3.364  -4.794
  399    HA   TRP  54           HA       TRP  54  23.183  -3.326  -1.914
  400   1HB   TRP  54          HB2       TRP  54  21.290  -2.260  -4.003
  401   2HB   TRP  54          HB1       TRP  54  21.004  -2.138  -2.272
  402    HD1  TRP  54           HD1      TRP  54  22.754  -0.423  -5.088
  403    HE1  TRP  54           HE1      TRP  54  24.133   1.559  -4.193
  404    HE3  TRP  54           HE3      TRP  54  22.498  -1.464  -0.106
  405    HZ2  TRP  54           HZ2      TRP  54  24.998   2.548  -1.688
  406    HZ3  TRP  54           HZ3      TRP  54  23.623   0.042   1.482
  407    HH2  TRP  54           HH2      TRP  54  24.848   2.007   0.704
  408    H    VAL  55           HN       VAL  55  22.391  -4.897  -0.748
  409    HA   VAL  55           HA       VAL  55  20.509  -6.819  -1.939
  410    HB   VAL  55           HB       VAL  55  21.048  -8.117   0.126
  411   1HG1  VAL  55          HG11      VAL  55  21.975  -8.779  -1.982
  412   2HG1  VAL  55          HG12      VAL  55  23.215  -8.951  -0.738
  413   3HG1  VAL  55          HG13      VAL  55  23.253  -7.573  -1.839
  414   1HG2  VAL  55          HG21      VAL  55  23.186  -7.588   1.244
  415   2HG2  VAL  55          HG22      VAL  55  21.913  -6.394   1.502
  416   3HG2  VAL  55          HG23      VAL  55  23.213  -6.063   0.357
  417    H    TYR  56           HN       TYR  56  18.692  -7.404  -0.807
  418    HA   TYR  56           HA       TYR  56  17.985  -6.644   1.723
  419   1HB   TYR  56          HB2       TYR  56  16.398  -4.734   1.302
  420   2HB   TYR  56          HB1       TYR  56  18.094  -4.327   1.058
  421    HD1  TYR  56           HD1      TYR  56  18.932  -3.749  -1.125
  422    HD2  TYR  56           HD2      TYR  56  14.890  -4.984  -0.633
  423    HE1  TYR  56           HE1      TYR  56  18.424  -2.977  -3.403
  424    HE2  TYR  56           HE2      TYR  56  14.372  -4.213  -2.909
  425    HH   TYR  56           HH       TYR  56  16.739  -3.458  -5.176
  426    H    ASN  57           HN       ASN  57  15.447  -6.559   2.023
  427    HA   ASN  57           HA       ASN  57  14.355  -8.681   0.324
  428   1HB   ASN  57          HB2       ASN  57  13.491  -7.660   3.036
  429   2HB   ASN  57          HB1       ASN  57  12.653  -8.923   2.139
  430   1HD2  ASN  57          HD21      ASN  57  15.141 -10.036   1.085
  431   2HD2  ASN  57          HD22      ASN  57  15.869 -10.891   2.397
  432    H    THR  58           HN       THR  58  11.843  -8.520   0.135
  433    HA   THR  58           HA       THR  58  11.312  -6.153  -1.377
  434    HB   THR  58           HB       THR  58   9.297  -8.244  -0.551
  435    HG1  THR  58           HG1      THR  58  10.188  -9.560  -1.956
  436   1HG2  THR  58          HG21      THR  58   8.121  -7.569  -2.556
  437   2HG2  THR  58          HG22      THR  58   9.421  -6.455  -2.982
  438   3HG2  THR  58          HG23      THR  58   8.428  -6.149  -1.557
  439    H    PHE  59           HN       PHE  59  11.649  -4.618   0.400
  440    HA   PHE  59           HA       PHE  59  10.175  -4.473   2.720
  441   1HB   PHE  59          HB2       PHE  59  10.346  -1.859   2.183
  442   2HB   PHE  59          HB1       PHE  59  11.726  -2.813   2.715
  443    HD1  PHE  59           HD1      PHE  59  13.676  -2.470   1.615
  444    HD2  PHE  59           HD2      PHE  59  10.021  -1.968  -0.501
  445    HE1  PHE  59           HE1      PHE  59  14.932  -1.789  -0.385
  446    HE2  PHE  59           HE2      PHE  59  11.273  -1.288  -2.506
  447    HZ   PHE  59           HZ       PHE  59  13.729  -1.194  -2.447
  448    H    CYS  60           HN       CYS  60   8.145  -3.912   3.260
  449    HA   CYS  60           HA       CYS  60   5.929  -3.455   3.067
  450   1HB   CYS  60          HB2       CYS  60   6.830  -1.810   0.690
  451   2HB   CYS  60          HB1       CYS  60   5.234  -1.727   1.432
  452    H    ILE  61           HN       ILE  61   4.248  -3.171   0.904
  453    HA   ILE  61           HA       ILE  61   4.580  -4.970  -1.192
  454    HB   ILE  61           HB       ILE  61   4.620  -6.817   0.250
  455   1HG1  ILE  61          HG12      ILE  61   1.694  -6.611  -0.454
  456   2HG1  ILE  61          HG11      ILE  61   2.945  -6.900  -1.659
  457   1HG2  ILE  61          HG21      ILE  61   2.970  -7.182   2.051
  458   2HG2  ILE  61          HG22      ILE  61   2.308  -5.579   1.730
  459   3HG2  ILE  61          HG23      ILE  61   3.967  -5.750   2.306
  460   1HD1  ILE  61          HD11      ILE  61   2.299  -8.664   0.693
  461   2HD1  ILE  61          HD12      ILE  61   3.580  -8.954  -0.484
  462   3HD1  ILE  61          HD13      ILE  61   1.892  -8.973  -0.995
  463    H    TYR  62           HN       TYR  62   3.485  -3.578  -2.406
  464    HA   TYR  62           HA       TYR  62   1.136  -2.180  -1.781
  465   1HB   TYR  62          HB2       TYR  62   2.873  -2.187  -3.859
  466   2HB   TYR  62          HB1       TYR  62   1.474  -2.974  -4.584
  467    HD1  TYR  62           HD1      TYR  62   2.994   0.051  -4.255
  468    HD2  TYR  62           HD2      TYR  62  -0.843  -1.696  -3.753
  469    HE1  TYR  62           HE1      TYR  62   1.973   2.262  -4.538
  470    HE2  TYR  62           HE2      TYR  62  -1.890   0.509  -4.044
  471    HH   TYR  62           HH       TYR  62  -0.021   3.314  -5.000
  472    H    LYS  63           HN       LYS  63  -0.835  -3.004  -1.330
  473    HA   LYS  63           HA       LYS  63  -2.040  -4.764  -3.271
  474   1HB   LYS  63          HB2       LYS  63  -2.741  -6.397  -1.621
  475   2HB   LYS  63          HB1       LYS  63  -0.988  -6.281  -1.650
  476   1HG   LYS  63          HG2       LYS  63  -1.046  -4.876   0.342
  477   2HG   LYS  63          HG1       LYS  63  -2.806  -4.999   0.376
  478   1HD   LYS  63          HD2       LYS  63  -2.256  -6.660   1.853
  479   2HD   LYS  63          HD1       LYS  63  -2.303  -7.570   0.349
  480   1HE   LYS  63          HE2       LYS  63   0.086  -7.451   0.122
  481   2HE   LYS  63          HE1       LYS  63   0.194  -6.419   1.545
  482   1HZ   LYS  63          HZ1       LYS  63  -0.665  -8.244   2.885
  483   2HZ   LYS  63          HZ2       LYS  63   0.758  -8.694   2.087
  484   3HZ   LYS  63          HZ3       LYS  63  -0.739  -9.236   1.516
  485    H    ARG  64           HN       ARG  64  -3.872  -3.771  -3.778
  486    HA   ARG  64           HA       ARG  64  -5.445  -2.561  -1.609
  487   1HB   ARG  64          HB2       ARG  64  -6.172  -0.853  -3.317
  488   2HB   ARG  64          HB1       ARG  64  -4.503  -0.730  -2.778
  489   1HG   ARG  64          HG2       ARG  64  -4.133  -2.279  -4.914
  490   2HG   ARG  64          HG1       ARG  64  -5.598  -1.436  -5.427
  491   1HD   ARG  64          HD2       ARG  64  -3.075  -0.108  -4.447
  492   2HD   ARG  64          HD1       ARG  64  -3.532  -0.289  -6.142
  493    HE   ARG  64           HE       ARG  64  -5.518   1.041  -4.547
  494   1HH1  ARG  64          HH11      ARG  64  -2.617   1.448  -6.435
  495   2HH1  ARG  64          HH12      ARG  64  -2.914   3.121  -6.766
  496   1HH2  ARG  64          HH21      ARG  64  -5.916   3.246  -4.978
  497   2HH2  ARG  64          HH22      ARG  64  -4.787   4.144  -5.937
  498    H    CYS  65           HN       CYS  65  -7.750  -1.986  -2.622
  499    HA   CYS  65           HA       CYS  65  -8.702  -4.458  -3.911
  500   1HB   CYS  65          HB2       CYS  65 -10.387  -2.674  -2.161
  501   2HB   CYS  65          HB1       CYS  65 -10.696  -4.339  -2.643
  502    H    ARG  66           HN       ARG  66  -9.730  -4.224  -5.818
  503    HA   ARG  66           HA       ARG  66  -9.731  -1.859  -7.215
  504   1HB   ARG  66          HB2       ARG  66 -10.077  -3.903  -8.417
  505   2HB   ARG  66          HB1       ARG  66 -11.536  -4.267  -7.506
  506   1HG   ARG  66          HG2       ARG  66 -12.028  -3.527  -9.784
  507   2HG   ARG  66          HG1       ARG  66 -12.700  -2.431  -8.576
  508   1HD   ARG  66          HD2       ARG  66 -10.848  -0.891  -8.915
  509   2HD   ARG  66          HD1       ARG  66 -10.119  -2.000 -10.077
  510    HE   ARG  66           HE       ARG  66 -12.708  -1.416 -10.944
  511   1HH1  ARG  66          HH11      ARG  66  -9.655   0.201 -10.484
  512   2HH1  ARG  66          HH12      ARG  66  -9.935   1.361 -11.739
  513   1HH2  ARG  66          HH21      ARG  66 -13.084   0.108 -12.596
  514   2HH2  ARG  66          HH22      ARG  66 -11.883   1.309 -12.939
  515    H    HIS  67           HN       HIS  67 -11.160  -0.208  -7.544
  516    HA   HIS  67           HA       HIS  67 -12.624   0.759  -5.439
  517   1HB   HIS  67          HB2       HIS  67 -11.944   2.077  -7.428
  518   2HB   HIS  67          HB1       HIS  67 -13.199   1.273  -8.365
  519    HD1  HIS  67           HD1      HIS  67 -15.601   2.078  -8.062
  520    HD2  HIS  67           HD2      HIS  67 -12.889   3.963  -5.543
  521    HE1  HIS  67           HE1      HIS  67 -16.855   4.010  -7.052
  522    HE2  HIS  67           HE2      HIS  67 -15.222   5.078  -5.458
  523    HA   PRO  68           HA       PRO  68 -16.154  -1.980  -4.900
  524   1HB   PRO  68          HB2       PRO  68 -17.294   0.673  -4.163
  525   2HB   PRO  68          HB1       PRO  68 -17.439  -0.884  -3.343
  526   1HG   PRO  68          HG2       PRO  68 -15.777   0.982  -2.441
  527   2HG   PRO  68          HG1       PRO  68 -15.329  -0.734  -2.407
  528   1HD   PRO  68          HD2       PRO  68 -14.330   1.435  -4.157
  529   2HD   PRO  68          HD1       PRO  68 -13.531  -0.065  -3.645
  530    H    GLY  69           HN       GLY  69 -16.373   1.198  -6.415
  531   1HA   GLY  69          HA2       GLY  69 -17.272   1.446  -8.644
  532   2HA   GLY  69          HA1       GLY  69 -18.394   0.138  -8.280
  533    H    GLU  70           HN       GLU  70 -19.712   2.047  -9.210
  534    HA   GLU  70           HA       GLU  70 -20.401   4.079  -7.263
  535   1HB   GLU  70          HB2       GLU  70 -20.382   4.641  -9.679
  536   2HB   GLU  70          HB1       GLU  70 -21.647   3.450  -9.950
  537   1HG   GLU  70          HG2       GLU  70 -23.095   4.760  -8.384
  538   2HG   GLU  70          HG1       GLU  70 -21.846   6.006  -8.378
  539    H    LEU  71           HN       LEU  71 -21.944   4.091  -5.902
  540    HA   LEU  71           HA       LEU  71 -23.733   1.769  -5.781
  541   1HB   LEU  71          HB2       LEU  71 -22.542   2.017  -3.750
  542   2HB   LEU  71          HB1       LEU  71 -22.737   3.757  -3.749
  543    HG   LEU  71           HG       LEU  71 -25.124   3.476  -3.261
  544   1HD1  LEU  71          HD11      LEU  71 -24.434   0.550  -3.184
  545   2HD1  LEU  71          HD12      LEU  71 -25.587   1.351  -4.254
  546   3HD1  LEU  71          HD13      LEU  71 -25.921   1.235  -2.525
  547   1HD2  LEU  71          HD21      LEU  71 -23.526   1.924  -1.261
  548   2HD2  LEU  71          HD22      LEU  71 -24.889   3.009  -0.978
  549   3HD2  LEU  71          HD23      LEU  71 -23.334   3.661  -1.491
  550    H    ARG  72           HN       ARG  72 -25.396   2.274  -7.095
  551    HA   ARG  72           HA       ARG  72 -26.403   4.909  -7.418
  552   1HB   ARG  72          HB2       ARG  72 -26.707   3.148  -9.152
  553   2HB   ARG  72          HB1       ARG  72 -27.797   2.294  -8.068
  554   1HG   ARG  72          HG2       ARG  72 -29.324   4.216  -8.112
  555   2HG   ARG  72          HG1       ARG  72 -28.240   5.033  -9.241
  556   1HD   ARG  72          HD2       ARG  72 -30.042   4.010 -10.468
  557   2HD   ARG  72          HD1       ARG  72 -28.538   3.162 -10.825
  558    HE   ARG  72           HE       ARG  72 -29.795   1.836  -8.717
  559   1HH1  ARG  72          HH11      ARG  72 -30.317   2.494 -12.098
  560   2HH1  ARG  72          HH12      ARG  72 -31.227   1.046 -12.372
  561   1HH2  ARG  72          HH21      ARG  72 -30.991  -0.073  -9.067
  562   2HH2  ARG  72          HH22      ARG  72 -31.611  -0.413 -10.649
  563    H    ASN  73           HN       ASN  73 -27.795   6.043  -6.445
  564    HA   ASN  73           HA       ASN  73 -29.298   6.795  -4.953
  565   1HB   ASN  73          HB2       ASN  73 -29.937   3.914  -4.259
  566   2HB   ASN  73          HB1       ASN  73 -30.942   5.327  -3.952
  567   1HD2  ASN  73          HD21      ASN  73 -30.324   6.486  -6.576
  568   2HD2  ASN  73          HD22      ASN  73 -31.257   5.584  -7.715
  569    H    GLY  74           HN       GLY  74 -26.530   5.204  -4.383
  570   1HA   GLY  74          HA2       GLY  74 -26.695   5.833  -1.511
  571   2HA   GLY  74          HA1       GLY  74 -25.828   4.436  -2.121
  572    H    GLN  75           HN       GLN  75 -24.242   5.584  -0.667
  573    HA   GLN  75           HA       GLN  75 -22.554   7.325  -2.322
  574   1HB   GLN  75          HB2       GLN  75 -23.634   8.795  -0.732
  575   2HB   GLN  75          HB1       GLN  75 -23.212   7.728   0.600
  576   1HG   GLN  75          HG2       GLN  75 -20.826   8.187   0.165
  577   2HG   GLN  75          HG1       GLN  75 -21.306   9.330  -1.088
  578   1HE2  GLN  75          HE21      GLN  75 -20.333  11.051  -0.025
  579   2HE2  GLN  75          HE22      GLN  75 -21.007  11.752   1.403
  580    H    VAL  76           HN       VAL  76 -20.405   6.858  -2.271
  581    HA   VAL  76           HA       VAL  76 -19.617   4.558  -0.609
  582    HB   VAL  76           HB       VAL  76 -18.217   5.567  -3.088
  583   1HG1  VAL  76          HG11      VAL  76 -16.982   3.523  -3.004
  584   2HG1  VAL  76          HG12      VAL  76 -17.981   2.905  -1.690
  585   3HG1  VAL  76          HG13      VAL  76 -16.890   4.260  -1.403
  586   1HG2  VAL  76          HG21      VAL  76 -20.490   4.776  -3.606
  587   2HG2  VAL  76          HG22      VAL  76 -20.121   3.241  -2.822
  588   3HG2  VAL  76          HG23      VAL  76 -19.249   3.720  -4.277
  589    H    GLU  77           HN       GLU  77 -18.640   5.249   1.214
  590    HA   GLU  77           HA       GLU  77 -17.163   7.706   1.307
  591   1HB   GLU  77          HB2       GLU  77 -18.354   7.001   3.286
  592   2HB   GLU  77          HB1       GLU  77 -17.472   5.479   3.325
  593   1HG   GLU  77          HG2       GLU  77 -16.527   6.884   4.981
  594   2HG   GLU  77          HG1       GLU  77 -15.376   6.797   3.652
  595    H    ILE  78           HN       ILE  78 -15.369   7.689   0.064
  596    HA   ILE  78           HA       ILE  78 -13.329   5.667   0.708
  597    HB   ILE  78           HB       ILE  78 -14.472   6.223  -1.845
  598   1HG1  ILE  78          HG12      ILE  78 -12.703   4.451  -2.504
  599   2HG1  ILE  78          HG11      ILE  78 -12.300   4.430  -0.790
  600   1HG2  ILE  78          HG21      ILE  78 -11.518   6.799  -1.782
  601   2HG2  ILE  78          HG22      ILE  78 -12.770   8.025  -1.976
  602   3HG2  ILE  78          HG23      ILE  78 -12.569   6.768  -3.197
  603   1HD1  ILE  78          HD11      ILE  78 -14.611   3.814  -0.266
  604   2HD1  ILE  78          HD12      ILE  78 -13.827   2.641  -1.326
  605   3HD1  ILE  78          HD13      ILE  78 -14.983   3.797  -1.990
  606    H    LYS  79           HN       LYS  79 -11.173   6.400   0.819
  607    HA   LYS  79           HA       LYS  79 -10.456   9.112   0.313
  608   1HB   LYS  79          HB2       LYS  79 -10.077   9.822   2.618
  609   2HB   LYS  79          HB1       LYS  79 -11.776   9.462   2.356
  610   1HG   LYS  79          HG2       LYS  79  -9.812   7.587   3.657
  611   2HG   LYS  79          HG1       LYS  79 -10.907   8.662   4.528
  612   1HD   LYS  79          HD2       LYS  79 -12.708   7.458   3.013
  613   2HD   LYS  79          HD1       LYS  79 -11.489   6.177   3.021
  614   1HE   LYS  79          HE2       LYS  79 -13.250   6.098   4.846
  615   2HE   LYS  79          HE1       LYS  79 -11.572   5.969   5.361
  616   1HZ   LYS  79          HZ1       LYS  79 -12.795   7.473   6.781
  617   2HZ   LYS  79          HZ2       LYS  79 -13.245   8.421   5.455
  618   3HZ   LYS  79          HZ3       LYS  79 -11.621   8.331   5.917
  619    H    THR  80           HN       THR  80  -9.763   6.180   2.126
  620    HA   THR  80           HA       THR  80  -6.963   6.680   2.326
  621    HB   THR  80           HB       THR  80  -6.803   4.523   3.332
  622    HG1  THR  80           HG1      THR  80  -8.785   3.904   1.645
  623   1HG2  THR  80          HG21      THR  80  -9.286   6.078   3.997
  624   2HG2  THR  80          HG22      THR  80  -7.757   5.987   4.879
  625   3HG2  THR  80          HG23      THR  80  -8.867   4.617   4.898
  626    H    ASP  81           HN       ASP  81  -8.511   6.334  -0.401
  627    HA   ASP  81           HA       ASP  81  -7.944   5.605  -2.517
  628   1HB   ASP  81          HB2       ASP  81  -5.301   5.240  -1.141
  629   2HB   ASP  81          HB1       ASP  81  -5.545   5.038  -2.875
  630    H    LEU  82           HN       LEU  82  -8.424   3.671  -0.064
  631    HA   LEU  82           HA       LEU  82  -8.823   1.448   0.204
  632   1HB   LEU  82          HB2       LEU  82  -8.344   1.385  -2.766
  633   2HB   LEU  82          HB1       LEU  82  -9.059   0.084  -1.830
  634    HG   LEU  82           HG       LEU  82 -10.688   2.177  -1.189
  635   1HD1  LEU  82          HD11      LEU  82  -9.914   2.511  -4.084
  636   2HD1  LEU  82          HD12      LEU  82  -9.594   3.662  -2.785
  637   3HD1  LEU  82          HD13      LEU  82 -11.253   3.318  -3.270
  638   1HD2  LEU  82          HD21      LEU  82 -12.299   1.094  -2.560
  639   2HD2  LEU  82          HD22      LEU  82 -11.232  -0.136  -1.880
  640   3HD2  LEU  82          HD23      LEU  82 -11.037   0.372  -3.558
  641    H    SER  83           HN       SER  83  -6.508   2.109   1.067
  642    HA   SER  83           HA       SER  83  -4.368   0.643  -0.234
  643   1HB   SER  83          HB2       SER  83  -2.920   1.621   1.477
  644   2HB   SER  83          HB1       SER  83  -3.918   2.868   0.728
  645    HG   SER  83           HG       SER  83  -4.131   1.723   3.292
  646    H    PHE  84           HN       PHE  84  -6.560  -0.922   0.810
  647    HA   PHE  84           HA       PHE  84  -6.942  -2.835   1.967
  648   1HB   PHE  84          HB2       PHE  84  -4.959  -3.699   0.949
  649   2HB   PHE  84          HB1       PHE  84  -3.924  -2.809   2.062
  650    HD1  PHE  84           HD1      PHE  84  -6.466  -5.514   1.937
  651    HD2  PHE  84           HD2      PHE  84  -3.178  -3.798   4.023
  652    HE1  PHE  84           HE1      PHE  84  -6.409  -7.460   3.443
  653    HE2  PHE  84           HE2      PHE  84  -3.114  -5.742   5.531
  654    HZ   PHE  84           HZ       PHE  84  -4.731  -7.575   5.242
  655    H    GLY  85           HN       GLY  85  -7.597  -3.338   3.999
  656   1HA   GLY  85          HA2       GLY  85  -7.578  -3.386   6.320
  657   2HA   GLY  85          HA1       GLY  85  -6.123  -2.401   6.305
  658    H    SER  86           HN       SER  86  -9.095  -1.556   4.608
  659    HA   SER  86           HA       SER  86  -9.609   0.484   6.647
  660   1HB   SER  86          HB2       SER  86  -9.554   0.992   3.670
  661   2HB   SER  86          HB1       SER  86 -10.093   2.151   4.889
  662    HG   SER  86           HG       SER  86  -8.069   2.694   4.983
  663    H    GLN  87           HN       GLN  87 -11.666   1.369   6.680
  664    HA   GLN  87           HA       GLN  87 -13.730  -0.461   5.659
  665   1HB   GLN  87          HB2       GLN  87 -13.909  -0.558   7.983
  666   2HB   GLN  87          HB1       GLN  87 -13.502   1.139   8.186
  667   1HG   GLN  87          HG2       GLN  87 -16.037   0.462   6.795
  668   2HG   GLN  87          HG1       GLN  87 -15.950   0.247   8.544
  669   1HE2  GLN  87          HE21      GLN  87 -15.984   2.504   5.936
  670   2HE2  GLN  87          HE22      GLN  87 -16.118   3.935   6.888
  671    H    ILE  88           HN       ILE  88 -15.282   0.328   4.350
  672    HA   ILE  88           HA       ILE  88 -15.439   3.248   4.000
  673    HB   ILE  88           HB       ILE  88 -15.891   2.871   1.583
  674   1HG1  ILE  88          HG12      ILE  88 -14.790   0.100   2.075
  675   2HG1  ILE  88          HG11      ILE  88 -16.502   0.445   1.845
  676   1HG2  ILE  88          HG21      ILE  88 -13.537   2.504   0.964
  677   2HG2  ILE  88          HG22      ILE  88 -13.210   1.942   2.603
  678   3HG2  ILE  88          HG23      ILE  88 -13.707   3.612   2.326
  679   1HD1  ILE  88          HD11      ILE  88 -15.353  -0.366  -0.185
  680   2HD1  ILE  88          HD12      ILE  88 -14.366   1.098  -0.163
  681   3HD1  ILE  88          HD13      ILE  88 -16.113   1.214  -0.378
  682    H    GLU  89           HN       GLU  89 -17.305   3.679   4.994
  683    HA   GLU  89           HA       GLU  89 -19.540   1.916   4.944
  684   1HB   GLU  89          HB2       GLU  89 -18.937   4.589   6.099
  685   2HB   GLU  89          HB1       GLU  89 -20.621   4.126   5.926
  686   1HG   GLU  89          HG2       GLU  89 -20.147   2.072   7.211
  687   2HG   GLU  89          HG1       GLU  89 -18.497   2.647   7.456
  688    H    PHE  90           HN       PHE  90 -21.357   1.968   3.791
  689    HA   PHE  90           HA       PHE  90 -21.499   3.862   1.556
  690   1HB   PHE  90          HB2       PHE  90 -23.075   1.308   1.930
  691   2HB   PHE  90          HB1       PHE  90 -22.914   2.255   0.455
  692    HD1  PHE  90           HD1      PHE  90 -20.990   2.037  -0.962
  693    HD2  PHE  90           HD2      PHE  90 -21.201  -0.046   2.752
  694    HE1  PHE  90           HE1      PHE  90 -19.080   0.649  -1.637
  695    HE2  PHE  90           HE2      PHE  90 -19.287  -1.433   2.077
  696    HZ   PHE  90           HZ       PHE  90 -18.224  -1.087  -0.115
  697    H    SER  91           HN       SER  91 -23.331   5.165   1.268
  698    HA   SER  91           HA       SER  91 -25.322   5.019   3.436
  699   1HB   SER  91          HB2       SER  91 -24.120   7.525   2.245
  700   2HB   SER  91          HB1       SER  91 -25.420   7.486   3.437
  701    HG   SER  91           HG       SER  91 -23.403   5.984   4.318
  702    H    CYS  92           HN       CYS  92 -27.303   4.689   2.744
  703    HA   CYS  92           HA       CYS  92 -27.924   5.169  -0.048
  704   1HB   CYS  92          HB2       CYS  92 -29.462   3.840   2.185
  705   2HB   CYS  92          HB1       CYS  92 -30.188   4.177   0.618
  706    H    SER  93           HN       SER  93 -28.805   6.952  -0.757
  707    HA   SER  93           HA       SER  93 -29.136   9.292   0.518
  708   1HB   SER  93          HB2       SER  93 -30.713   8.227  -1.816
  709   2HB   SER  93          HB1       SER  93 -30.822   9.902  -1.271
  710    HG   SER  93           HG       SER  93 -28.501   9.987  -1.572
  711    H    GLU  94           HN       GLU  94 -30.995  10.618   0.932
  712    HA   GLU  94           HA       GLU  94 -32.483  10.216   3.084
  713   1HB   GLU  94          HB2       GLU  94 -32.617  12.292   1.955
  714   2HB   GLU  94          HB1       GLU  94 -33.331  11.548   0.531
  715   1HG   GLU  94          HG2       GLU  94 -35.379  11.170   1.648
  716   2HG   GLU  94          HG1       GLU  94 -34.683  11.600   3.209
  717    H    GLY  95           HN       GLY  95 -34.247   9.633   0.059
  718   1HA   GLY  95          HA2       GLY  95 -36.318   8.285   1.455
  719   2HA   GLY  95          HA1       GLY  95 -36.132   8.377  -0.285
  720    H    PHE  96           HN       PHE  96 -33.320   7.065   0.186
  721    HA   PHE  96           HA       PHE  96 -34.456   4.342   0.276
  722   1HB   PHE  96          HB2       PHE  96 -31.887   5.023  -1.138
  723   2HB   PHE  96          HB1       PHE  96 -32.937   3.629  -1.372
  724    HD1  PHE  96           HD1      PHE  96 -35.040   3.859  -2.626
  725    HD2  PHE  96           HD2      PHE  96 -32.267   7.068  -2.291
  726    HE1  PHE  96           HE1      PHE  96 -36.135   4.994  -4.514
  727    HE2  PHE  96           HE2      PHE  96 -33.356   8.211  -4.179
  728    HZ   PHE  96           HZ       PHE  96 -35.293   7.174  -5.294
  729    H    PHE  97           HN       PHE  97 -33.726   3.024   1.818
  730    HA   PHE  97           HA       PHE  97 -31.462   3.949   3.428
  731   1HB   PHE  97          HB2       PHE  97 -32.235   2.476   5.175
  732   2HB   PHE  97          HB1       PHE  97 -33.593   3.433   4.597
  733    HD1  PHE  97           HD1      PHE  97 -32.582   0.253   5.543
  734    HD2  PHE  97           HD2      PHE  97 -34.972   2.251   2.644
  735    HE1  PHE  97           HE1      PHE  97 -33.892  -1.803   5.213
  736    HE2  PHE  97           HE2      PHE  97 -36.285   0.198   2.306
  737    HZ   PHE  97           HZ       PHE  97 -35.748  -1.833   3.593
  738    H    LEU  98           HN       LEU  98 -30.156   2.108   4.424
  739    HA   LEU  98           HA       LEU  98 -29.043   0.658   2.165
  740   1HB   LEU  98          HB2       LEU  98 -27.602   2.025   3.642
  741   2HB   LEU  98          HB1       LEU  98 -27.959   0.921   4.958
  742    HG   LEU  98           HG       LEU  98 -26.846  -0.214   2.436
  743   1HD1  LEU  98          HD11      LEU  98 -24.577   0.258   3.138
  744   2HD1  LEU  98          HD12      LEU  98 -25.176   1.190   4.510
  745   3HD1  LEU  98          HD13      LEU  98 -25.466   1.757   2.866
  746   1HD2  LEU  98          HD21      LEU  98 -27.465  -1.755   4.150
  747   2HD2  LEU  98          HD22      LEU  98 -26.591  -0.832   5.371
  748   3HD2  LEU  98          HD23      LEU  98 -25.703  -1.678   4.102
  749    H    ILE  99           HN       ILE  99 -28.784  -1.454   2.012
  750    HA   ILE  99           HA       ILE  99 -29.458  -3.328   4.117
  751    HB   ILE  99           HB       ILE  99 -30.880  -3.884   1.573
  752   1HG1  ILE  99          HG12      ILE  99 -32.236  -2.112   3.579
  753   2HG1  ILE  99          HG11      ILE  99 -31.319  -1.419   2.246
  754   1HG2  ILE  99          HG21      ILE  99 -31.542  -4.275   4.486
  755   2HG2  ILE  99          HG22      ILE  99 -30.930  -5.489   3.364
  756   3HG2  ILE  99          HG23      ILE  99 -32.546  -4.820   3.144
  757   1HD1  ILE  99          HD11      ILE  99 -32.747  -2.524   0.644
  758   2HD1  ILE  99          HD12      ILE  99 -33.708  -1.553   1.760
  759   3HD1  ILE  99          HD13      ILE  99 -33.640  -3.306   1.948
  760    H    GLY 100           HN       GLY 100 -27.509  -4.166   3.965
  761   1HA   GLY 100          HA2       GLY 100 -26.842  -6.158   2.171
  762   2HA   GLY 100          HA1       GLY 100 -26.086  -4.683   1.565
  763    H    SER 101           HN       SER 101 -24.969  -3.395   3.299
  764    HA   SER 101           HA       SER 101 -23.904  -4.424   5.632
  765   1HB   SER 101          HB2       SER 101 -22.876  -6.146   4.126
  766   2HB   SER 101          HB1       SER 101 -22.025  -4.848   3.288
  767    HG   SER 101           HG       SER 101 -20.676  -4.674   4.911
  768    H    THR 102           HN       THR 102 -23.836  -2.376   6.434
  769    HA   THR 102           HA       THR 102 -23.252  -0.104   4.883
  770    HB   THR 102           HB       THR 102 -23.088   1.102   7.064
  771    HG1  THR 102           HG1      THR 102 -22.771  -1.445   7.958
  772   1HG2  THR 102          HG21      THR 102 -25.455  -0.741   6.728
  773   2HG2  THR 102          HG22      THR 102 -25.262   0.867   6.029
  774   3HG2  THR 102          HG23      THR 102 -25.421   0.677   7.776
  775    H    THR 103           HN       THR 103 -21.192  -2.444   6.135
  776    HA   THR 103           HA       THR 103 -18.956  -0.546   5.982
  777    HB   THR 103           HB       THR 103 -17.712  -2.047   7.457
  778    HG1  THR 103           HG1      THR 103 -19.935  -3.388   8.363
  779   1HG2  THR 103          HG21      THR 103 -18.978  -1.530   9.523
  780   2HG2  THR 103          HG22      THR 103 -20.354  -1.074   8.516
  781   3HG2  THR 103          HG23      THR 103 -18.851  -0.158   8.421
  782    H    SER 104           HN       SER 104 -16.981  -1.311   5.068
  783    HA   SER 104           HA       SER 104 -17.036  -3.838   3.643
  784   1HB   SER 104          HB2       SER 104 -17.911  -2.216   2.003
  785   2HB   SER 104          HB1       SER 104 -16.504  -1.189   2.270
  786    HG   SER 104           HG       SER 104 -16.440  -3.847   1.280
  787    H    ARG 105           HN       ARG 105 -15.240  -4.795   4.270
  788    HA   ARG 105           HA       ARG 105 -12.909  -3.161   5.032
  789   1HB   ARG 105          HB2       ARG 105 -13.519  -6.052   5.676
  790   2HB   ARG 105          HB1       ARG 105 -12.149  -5.128   6.276
  791   1HG   ARG 105          HG2       ARG 105 -13.720  -3.604   7.416
  792   2HG   ARG 105          HG1       ARG 105 -15.055  -4.627   6.878
  793   1HD   ARG 105          HD2       ARG 105 -14.159  -6.507   8.108
  794   2HD   ARG 105          HD1       ARG 105 -12.744  -5.563   8.574
  795    HE   ARG 105           HE       ARG 105 -15.192  -4.347   9.407
  796   1HH1  ARG 105          HH11      ARG 105 -12.841  -6.792  10.200
  797   2HH1  ARG 105          HH12      ARG 105 -13.190  -6.763  11.896
  798   1HH2  ARG 105          HH21      ARG 105 -15.659  -4.299  11.639
  799   2HH2  ARG 105          HH22      ARG 105 -14.792  -5.346  12.714
  800    H    CYS 106           HN       CYS 106 -10.820  -3.739   4.358
  801    HA   CYS 106           HA       CYS 106 -10.785  -5.100   1.768
  802   1HB   CYS 106          HB2       CYS 106  -9.340  -2.823   2.912
  803   2HB   CYS 106          HB1       CYS 106  -8.299  -3.961   2.064
  804    H    GLU 107           HN       GLU 107 -10.125  -7.102   1.725
  805    HA   GLU 107           HA       GLU 107  -8.149  -8.001   3.715
  806   1HB   GLU 107          HB2       GLU 107 -10.551  -8.881   3.877
  807   2HB   GLU 107          HB1       GLU 107 -10.202  -9.771   2.400
  808   1HG   GLU 107          HG2       GLU 107  -9.930 -11.146   4.400
  809   2HG   GLU 107          HG1       GLU 107  -8.425 -10.978   3.496
  810    H    VAL 108           HN       VAL 108  -7.286 -10.313   2.760
  811    HA   VAL 108           HA       VAL 108  -6.599  -9.823  -0.050
  812    HB   VAL 108           HB       VAL 108  -4.672 -10.363   2.181
  813   1HG1  VAL 108          HG11      VAL 108  -4.281 -11.971   0.294
  814   2HG1  VAL 108          HG12      VAL 108  -2.946 -10.858   0.597
  815   3HG1  VAL 108          HG13      VAL 108  -4.037 -10.576  -0.761
  816   1HG2  VAL 108          HG21      VAL 108  -5.269  -8.044   1.549
  817   2HG2  VAL 108          HG22      VAL 108  -4.672  -8.372  -0.078
  818   3HG2  VAL 108          HG23      VAL 108  -3.563  -8.417   1.294
  819    H    GLN 109           HN       GLN 109  -6.862 -11.398  -1.339
  820    HA   GLN 109           HA       GLN 109  -6.855 -14.165  -0.322
  821   1HB   GLN 109          HB2       GLN 109  -8.503 -13.054  -2.604
  822   2HB   GLN 109          HB1       GLN 109  -8.559 -14.699  -1.982
  823   1HG   GLN 109          HG2       GLN 109  -9.469 -13.940   0.103
  824   2HG   GLN 109          HG1       GLN 109  -9.264 -12.256  -0.373
  825   1HE2  GLN 109          HE21      GLN 109 -11.439 -11.805  -0.100
  826   2HE2  GLN 109          HE22      GLN 109 -12.647 -12.368  -1.201
  827    H    ASP 110           HN       ASP 110  -5.603 -15.615  -1.354
  828    HA   ASP 110           HA       ASP 110  -4.061 -16.496  -2.761
  829   1HB   ASP 110          HB2       ASP 110  -5.471 -14.636  -4.649
  830   2HB   ASP 110          HB1       ASP 110  -4.128 -15.648  -5.177
  831    H    ARG 111           HN       ARG 111  -3.988 -13.298  -4.226
  832    HA   ARG 111           HA       ARG 111  -1.725 -12.391  -2.774
  833   1HB   ARG 111          HB2       ARG 111  -0.066 -12.503  -4.541
  834   2HB   ARG 111          HB1       ARG 111  -0.665 -14.116  -4.179
  835   1HG   ARG 111          HG2       ARG 111  -2.206 -13.903  -6.128
  836   2HG   ARG 111          HG1       ARG 111  -1.384 -12.396  -6.534
  837   1HD   ARG 111          HD2       ARG 111  -0.072 -15.099  -6.305
  838   2HD   ARG 111          HD1       ARG 111  -0.516 -14.303  -7.814
  839    HE   ARG 111           HE       ARG 111   1.124 -12.570  -6.358
  840   1HH1  ARG 111          HH11      ARG 111   1.311 -15.635  -8.003
  841   2HH1  ARG 111          HH12      ARG 111   2.988 -15.464  -8.405
  842   1HH2  ARG 111          HH21      ARG 111   3.331 -12.335  -6.883
  843   2HH2  ARG 111          HH22      ARG 111   4.135 -13.588  -7.768
  844    H    GLY 112           HN       GLY 112  -4.372 -11.859  -4.591
  845   1HA   GLY 112          HA2       GLY 112  -3.422  -9.197  -5.450
  846   2HA   GLY 112          HA1       GLY 112  -4.693 -10.087  -6.274
  847    H    VAL 113           HN       VAL 113  -4.497 -10.070  -2.843
  848    HA   VAL 113           HA       VAL 113  -5.943  -9.449  -1.233
  849    HB   VAL 113           HB       VAL 113  -5.336  -7.353  -0.867
  850   1HG1  VAL 113          HG11      VAL 113  -3.967  -7.449  -2.910
  851   2HG1  VAL 113          HG12      VAL 113  -4.556  -5.825  -2.541
  852   3HG1  VAL 113          HG13      VAL 113  -5.325  -6.773  -3.815
  853   1HG2  VAL 113          HG21      VAL 113  -6.837  -5.568  -1.458
  854   2HG2  VAL 113          HG22      VAL 113  -7.758  -7.016  -1.053
  855   3HG2  VAL 113          HG23      VAL 113  -7.549  -6.548  -2.740
  856    H    GLY 114           HN       GLY 114  -8.115  -9.339  -0.593
  857   1HA   GLY 114          HA2       GLY 114  -9.965  -9.434  -2.875
  858   2HA   GLY 114          HA1       GLY 114 -10.073 -10.516  -1.497
  859    H    TRP 115           HN       TRP 115 -11.992  -8.482  -2.629
  860    HA   TRP 115           HA       TRP 115 -12.193  -6.464  -0.596
  861   1HB   TRP 115          HB2       TRP 115 -13.463  -6.974  -3.129
  862   2HB   TRP 115          HB1       TRP 115 -14.698  -6.750  -1.901
  863    HD1  TRP 115           HD1      TRP 115 -13.509  -4.739  -4.401
  864    HE1  TRP 115           HE1      TRP 115 -13.226  -2.261  -3.755
  865    HE3  TRP 115           HE3      TRP 115 -13.448  -5.212   0.692
  866    HZ2  TRP 115           HZ2      TRP 115 -13.001  -0.720  -1.416
  867    HZ3  TRP 115           HZ3      TRP 115 -13.192  -3.181   2.056
  868    HH2  TRP 115           HH2      TRP 115 -12.973  -0.984   1.023
  869    H    SER 116           HN       SER 116 -14.696  -6.336   0.286
  870    HA   SER 116           HA       SER 116 -15.233  -8.966   1.504
  871   1HB   SER 116          HB2       SER 116 -15.329  -6.234   2.800
  872   2HB   SER 116          HB1       SER 116 -16.030  -7.679   3.529
  873    HG   SER 116           HG       SER 116 -13.793  -8.569   3.149
  874    H    HIS 117           HN       HIS 117 -16.567  -5.874   0.459
  875    HA   HIS 117           HA       HIS 117 -18.932  -7.096  -0.552
  876   1HB   HIS 117          HB2       HIS 117 -19.432  -6.986   1.912
  877   2HB   HIS 117          HB1       HIS 117 -19.329  -5.233   1.795
  878    HD1  HIS 117           HD1      HIS 117 -21.283  -4.001   0.665
  879    HD2  HIS 117           HD2      HIS 117 -21.733  -8.131   0.761
  880    HE1  HIS 117           HE1      HIS 117 -23.673  -4.432   0.012
  881    HE2  HIS 117           HE2      HIS 117 -23.886  -6.942  -0.037
  882    HA   PRO 118           HA       PRO 118 -18.521  -3.259  -2.754
  883   1HB   PRO 118          HB2       PRO 118 -20.176  -3.828  -4.780
  884   2HB   PRO 118          HB1       PRO 118 -18.638  -4.675  -4.577
  885   1HG   PRO 118          HG2       PRO 118 -21.399  -5.619  -4.063
  886   2HG   PRO 118          HG1       PRO 118 -19.959  -6.543  -4.517
  887   1HD   PRO 118          HD2       PRO 118 -21.065  -6.211  -1.911
  888   2HD   PRO 118          HD1       PRO 118 -19.564  -7.048  -2.348
  889    H    LEU 119           HN       LEU 119 -20.773  -2.364  -4.340
  890    HA   LEU 119           HA       LEU 119 -22.057  -0.633  -2.563
  891   1HB   LEU 119          HB2       LEU 119 -23.204  -1.428  -5.209
  892   2HB   LEU 119          HB1       LEU 119 -23.257   0.127  -4.423
  893    HG   LEU 119           HG       LEU 119 -21.754   0.508  -6.114
  894   1HD1  LEU 119          HD11      LEU 119 -20.696   1.220  -4.134
  895   2HD1  LEU 119          HD12      LEU 119 -19.459   0.445  -5.125
  896   3HD1  LEU 119          HD13      LEU 119 -20.164  -0.417  -3.756
  897   1HD2  LEU 119          HD21      LEU 119 -20.186  -1.030  -7.012
  898   2HD2  LEU 119          HD22      LEU 119 -21.722  -1.878  -6.841
  899   3HD2  LEU 119          HD23      LEU 119 -20.430  -2.149  -5.672
  900    HA   PRO 120           HA       PRO 120 -25.137  -3.493  -0.978
  901   1HB   PRO 120          HB2       PRO 120 -26.433  -1.711   0.603
  902   2HB   PRO 120          HB1       PRO 120 -24.885  -2.436   1.053
  903   1HG   PRO 120          HG2       PRO 120 -25.444   0.254  -0.141
  904   2HG   PRO 120          HG1       PRO 120 -24.332  -0.179   1.171
  905   1HD   PRO 120          HD2       PRO 120 -23.497   0.245  -1.372
  906   2HD   PRO 120          HD1       PRO 120 -22.700  -0.910  -0.284
  907    H    GLN 121           HN       GLN 121 -27.712  -2.893  -0.464
  908    HA   GLN 121           HA       GLN 121 -28.714  -2.036  -3.079
  909   1HB   GLN 121          HB2       GLN 121 -29.675  -3.959  -1.005
  910   2HB   GLN 121          HB1       GLN 121 -30.845  -3.200  -2.068
  911   1HG   GLN 121          HG2       GLN 121 -29.462  -4.025  -4.002
  912   2HG   GLN 121          HG1       GLN 121 -28.541  -4.966  -2.830
  913   1HE2  GLN 121          HE21      GLN 121 -30.918  -5.451  -1.175
  914   2HE2  GLN 121          HE22      GLN 121 -31.831  -6.655  -2.011
  915    H    CYS 122           HN       CYS 122 -29.506  -0.035  -3.173
  916    HA   CYS 122           HA       CYS 122 -30.568   1.176  -0.724
  917   1HB   CYS 122          HB2       CYS 122 -29.672   2.383  -3.345
  918   2HB   CYS 122          HB1       CYS 122 -30.494   3.309  -2.095
  919    H    GLU 123           HN       GLU 123 -32.676   0.779  -0.461
  920    HA   GLU 123           HA       GLU 123 -34.485   1.082  -2.780
  921   1HB   GLU 123          HB2       GLU 123 -34.263  -1.285  -2.016
  922   2HB   GLU 123          HB1       GLU 123 -34.819  -0.784  -0.424
  923   1HG   GLU 123          HG2       GLU 123 -36.627  -1.774  -1.675
  924   2HG   GLU 123          HG1       GLU 123 -36.944  -0.062  -1.399
  925    H    ILE 124           HN       ILE 124 -36.360   2.126  -2.467
  926    HA   ILE 124           HA       ILE 124 -36.369   4.294  -0.724
  927    HB   ILE 124           HB       ILE 124 -37.699   4.076  -2.842
  928   1HG1  ILE 124          HG12      ILE 124 -39.731   5.282  -1.884
  929   2HG1  ILE 124          HG11      ILE 124 -39.032   4.992  -0.296
  930   1HG2  ILE 124          HG21      ILE 124 -38.635   1.855  -2.409
  931   2HG2  ILE 124          HG22      ILE 124 -39.898   3.038  -2.746
  932   3HG2  ILE 124          HG23      ILE 124 -39.595   2.520  -1.086
  933   1HD1  ILE 124          HD11      ILE 124 -37.804   6.581  -2.531
  934   2HD1  ILE 124          HD12      ILE 124 -37.018   6.226  -0.994
  935   3HD1  ILE 124          HD13      ILE 124 -38.482   7.209  -1.029
  936    H    LEU 125           HN       LEU 125 -37.673   4.795   1.077
  937    HA   LEU 125           HA       LEU 125 -37.878   2.701   2.994
  938   1HB   LEU 125          HB2       LEU 125 -38.868   5.553   3.058
  939   2HB   LEU 125          HB1       LEU 125 -38.877   4.470   4.436
  940    HG   LEU 125           HG       LEU 125 -36.380   5.326   2.971
  941   1HD1  LEU 125          HD11      LEU 125 -37.329   6.296   5.655
  942   2HD1  LEU 125          HD12      LEU 125 -37.636   7.172   4.155
  943   3HD1  LEU 125          HD13      LEU 125 -35.978   6.897   4.692
  944   1HD2  LEU 125          HD21      LEU 125 -36.192   3.176   4.115
  945   2HD2  LEU 125          HD22      LEU 125 -36.773   3.915   5.606
  946   3HD2  LEU 125          HD23      LEU 125 -35.229   4.415   4.918
  947    H    GLU 126           HN       GLU 126 -40.186   3.204   4.388
  948    HA   GLU 126           HA       GLU 126 -42.197   2.101   2.563
  949   1HB   GLU 126          HB2       GLU 126 -41.640   0.742   4.527
  950   2HB   GLU 126          HB1       GLU 126 -42.084   2.073   5.584
  951   1HG   GLU 126          HG2       GLU 126 -44.382   1.930   4.870
  952   2HG   GLU 126          HG1       GLU 126 -43.969   0.679   3.699
  953    H    HIS 127           HN       HIS 127 -43.052   3.929   1.638
  954    HA   HIS 127           HA       HIS 127 -45.045   5.296   3.145
  955   1HB   HIS 127          HB2       HIS 127 -44.186   7.576   2.887
  956   2HB   HIS 127          HB1       HIS 127 -43.097   6.604   3.870
  957    HD1  HIS 127           HD1      HIS 127 -43.260   8.579   0.763
  958    HD2  HIS 127           HD2      HIS 127 -40.649   5.892   2.560
  959    HE1  HIS 127           HE1      HIS 127 -41.082   8.834  -0.467
  960    HE2  HIS 127           HE2      HIS 127 -39.539   7.145   0.588
  961    H    HIS 128           HN       HIS 128 -43.864   4.041   0.402
  962    HA   HIS 128           HA       HIS 128 -45.031   5.860  -1.512
  963   1HB   HIS 128          HB2       HIS 128 -44.394   4.149  -3.176
  964   2HB   HIS 128          HB1       HIS 128 -43.045   4.597  -2.137
  965    HD1  HIS 128           HD1      HIS 128 -42.115   2.796  -0.555
  966    HD2  HIS 128           HD2      HIS 128 -45.322   1.512  -2.864
  967    HE1  HIS 128           HE1      HIS 128 -42.174   0.295  -0.293
  968    HE2  HIS 128           HE2      HIS 128 -44.163  -0.453  -1.646
  969    H    HIS 129           HN       HIS 129 -46.813   5.391  -2.869
  970    HA   HIS 129           HA       HIS 129 -48.616   3.287  -1.874
  971   1HB   HIS 129          HB2       HIS 129 -49.361   6.124  -2.616
  972   2HB   HIS 129          HB1       HIS 129 -50.521   4.842  -2.283
  973    HD1  HIS 129           HD1      HIS 129 -48.413   7.364  -0.645
  974    HD2  HIS 129           HD2      HIS 129 -50.519   3.957   0.461
  975    HE1  HIS 129           HE1      HIS 129 -48.603   7.475   1.860
  976    HE2  HIS 129           HE2      HIS 129 -49.921   5.425   2.504
  977    H    HIS 130           HN       HIS 130 -50.677   3.537  -3.612
  978    HA   HIS 130           HA       HIS 130 -49.416   2.802  -6.155
  979   1HB   HIS 130          HB2       HIS 130 -52.216   2.257  -5.141
  980   2HB   HIS 130          HB1       HIS 130 -51.547   1.674  -6.661
  981    HD1  HIS 130           HD1      HIS 130 -51.949   0.752  -3.185
  982    HD2  HIS 130           HD2      HIS 130 -49.267  -0.150  -6.228
  983    HE1  HIS 130           HE1      HIS 130 -50.771  -1.342  -2.443
  984    HE2  HIS 130           HE2      HIS 130 -49.115  -1.841  -4.277
  985    H    HIS 131           HN       HIS 131 -49.686   3.975  -7.952
  986    HA   HIS 131           HA       HIS 131 -51.803   6.017  -7.996
  987   1HB   HIS 131          HB2       HIS 131 -48.958   6.444  -8.932
  988   2HB   HIS 131          HB1       HIS 131 -50.264   7.624  -8.995
  989    HD1  HIS 131           HD1      HIS 131 -47.625   6.320  -6.812
  990    HD2  HIS 131           HD2      HIS 131 -51.090   8.573  -6.390
  991    HE1  HIS 131           HE1      HIS 131 -47.455   7.395  -4.545
  992    HE2  HIS 131           HE2      HIS 131 -49.610   8.670  -4.272
  993    H    HIS 132           HN       HIS 132 -50.299   3.427  -9.493
  994    HA   HIS 132           HA       HIS 132 -50.687   4.166 -12.226
  995   1HB   HIS 132          HB2       HIS 132 -49.042   2.458 -11.525
  996   2HB   HIS 132          HB1       HIS 132 -50.363   1.414 -11.012
  997    HD1  HIS 132           HD1      HIS 132 -51.806   0.318 -12.888
  998    HD2  HIS 132           HD2      HIS 132 -48.547   2.500 -14.260
  999    HE1  HIS 132           HE1      HIS 132 -51.526  -0.338 -15.299
 1000    HE2  HIS 132           HE2      HIS 132 -49.556   1.005 -16.114
  Start of MODEL   30
    1   1H    MET   0           HT1      MET   0  34.297  -3.597  -0.147
    2   2H    MET   0           HT2      MET   0  35.376  -4.367  -1.198
    3   3H    MET   0           HT3      MET   0  33.748  -4.826  -1.173
    4    HA   MET   0           HA       MET   0  34.790  -2.187  -2.022
    5   1HB   MET   0          HB2       MET   0  35.304  -3.974  -3.624
    6   2HB   MET   0          HB1       MET   0  33.616  -4.463  -3.632
    7   1HG   MET   0          HG2       MET   0  34.112  -3.178  -5.604
    8   2HG   MET   0          HG1       MET   0  33.001  -2.283  -4.569
    9   1HE   MET   0          HE1       MET   0  34.473  -0.927  -6.930
   10   2HE   MET   0          HE2       MET   0  35.143   0.547  -6.231
   11   3HE   MET   0          HE3       MET   0  33.504   0.042  -5.820
   12    H    ASN   1           HN       ASN   1  33.226  -0.704  -2.723
   13    HA   ASN   1           HA       ASN   1  30.845  -0.624  -1.256
   14   1HB   ASN   1          HB2       ASN   1  32.006   1.358  -2.261
   15   2HB   ASN   1          HB1       ASN   1  31.403   0.844  -3.832
   16   1HD2  ASN   1          HD21      ASN   1  29.606   0.552  -0.858
   17   2HD2  ASN   1          HD22      ASN   1  28.392   1.713  -1.258
   18    H    CYS   2           HN       CYS   2  28.639  -0.519  -2.130
   19    HA   CYS   2           HA       CYS   2  28.185  -2.762  -3.923
   20   1HB   CYS   2          HB2       CYS   2  26.341  -1.151  -2.164
   21   2HB   CYS   2          HB1       CYS   2  25.768  -2.404  -3.262
   22    H    GLY   3           HN       GLY   3  28.533   0.524  -4.247
   23   1HA   GLY   3          HA2       GLY   3  28.439   1.575  -6.393
   24   2HA   GLY   3          HA1       GLY   3  27.143   0.471  -6.838
   25    HA   PRO   4           HA       PRO   4  25.798   4.858  -5.077
   26   1HB   PRO   4          HB2       PRO   4  24.815   4.908  -7.906
   27   2HB   PRO   4          HB1       PRO   4  25.337   6.248  -6.876
   28   1HG   PRO   4          HG2       PRO   4  26.974   5.313  -8.735
   29   2HG   PRO   4          HG1       PRO   4  27.599   5.724  -7.128
   30   1HD   PRO   4          HD2       PRO   4  27.056   3.040  -8.317
   31   2HD   PRO   4          HD1       PRO   4  28.346   3.544  -7.207
   32    HA   PRO   5           HA       PRO   5  22.124   2.642  -3.871
   33   1HB   PRO   5          HB2       PRO   5  21.174   5.469  -3.640
   34   2HB   PRO   5          HB1       PRO   5  20.966   4.122  -2.517
   35   1HG   PRO   5          HG2       PRO   5  22.810   5.966  -2.050
   36   2HG   PRO   5          HG1       PRO   5  23.162   4.254  -1.754
   37   1HD   PRO   5          HD2       PRO   5  24.089   6.025  -3.960
   38   2HD   PRO   5          HD1       PRO   5  24.913   4.655  -3.188
   39    HA   PRO   6           HA       PRO   6  20.173   2.900  -7.971
   40   1HB   PRO   6          HB2       PRO   6  18.784   0.562  -7.608
   41   2HB   PRO   6          HB1       PRO   6  20.444   0.636  -8.207
   42   1HG   PRO   6          HG2       PRO   6  19.445   0.063  -5.442
   43   2HG   PRO   6          HG1       PRO   6  20.762  -0.713  -6.344
   44   1HD   PRO   6          HD2       PRO   6  21.228   1.123  -4.438
   45   2HD   PRO   6          HD1       PRO   6  22.248   0.995  -5.885
   46    H    THR   7           HN       THR   7  17.800   2.197  -8.498
   47    HA   THR   7           HA       THR   7  16.084   3.782  -6.725
   48    HB   THR   7           HB       THR   7  16.269   4.536  -9.071
   49    HG1  THR   7           HG1      THR   7  14.309   4.878  -7.884
   50   1HG2  THR   7          HG21      THR   7  15.203   3.219 -10.853
   51   2HG2  THR   7          HG22      THR   7  14.961   1.893  -9.716
   52   3HG2  THR   7          HG23      THR   7  16.594   2.384 -10.163
   53    H    LEU   8           HN       LEU   8  14.418   2.839  -5.661
   54    HA   LEU   8           HA       LEU   8  13.745   0.075  -6.377
   55   1HB   LEU   8          HB2       LEU   8  13.434   1.449  -3.709
   56   2HB   LEU   8          HB1       LEU   8  13.112  -0.241  -4.052
   57    HG   LEU   8           HG       LEU   8  15.603  -0.346  -4.739
   58   1HD1  LEU   8          HD11      LEU   8  17.042   1.242  -3.571
   59   2HD1  LEU   8          HD12      LEU   8  15.620   2.145  -3.051
   60   3HD1  LEU   8          HD13      LEU   8  16.021   2.043  -4.765
   61   1HD2  LEU   8          HD21      LEU   8  16.255  -0.845  -2.458
   62   2HD2  LEU   8          HD22      LEU   8  14.618  -1.432  -2.758
   63   3HD2  LEU   8          HD23      LEU   8  14.869   0.054  -1.842
   64    H    SER   9           HN       SER   9  11.897  -0.069  -7.426
   65    HA   SER   9           HA       SER   9   9.970   1.970  -7.583
   66   1HB   SER   9          HB2       SER   9  10.209   0.264  -9.325
   67   2HB   SER   9          HB1       SER   9   9.680  -0.982  -8.196
   68    HG   SER   9           HG       SER   9   7.710   0.387  -8.010
   69    H    PHE  10           HN       PHE  10  10.216  -0.885  -5.530
   70    HA   PHE  10           HA       PHE  10   7.599  -0.716  -4.448
   71   1HB   PHE  10          HB2       PHE  10   9.891  -1.903  -2.926
   72   2HB   PHE  10          HB1       PHE  10   8.218  -2.434  -3.000
   73    HD1  PHE  10           HD1      PHE  10   7.412  -3.777  -4.847
   74    HD2  PHE  10           HD2      PHE  10  11.476  -2.536  -4.632
   75    HE1  PHE  10           HE1      PHE  10   8.006  -5.439  -6.562
   76    HE2  PHE  10           HE2      PHE  10  12.078  -4.194  -6.347
   77    HZ   PHE  10           HZ       PHE  10  10.342  -5.648  -7.314
   78    H    ALA  11           HN       ALA  11  10.273   1.283  -4.042
   79    HA   ALA  11           HA       ALA  11   8.985   2.545  -1.747
   80   1HB   ALA  11          HB1       ALA  11  10.609   1.016  -0.771
   81   2HB   ALA  11          HB2       ALA  11  11.081   2.693  -0.496
   82   3HB   ALA  11          HB3       ALA  11  11.891   1.742  -1.741
   83    H    ALA  12           HN       ALA  12  11.110   4.229  -1.151
   84    HA   ALA  12           HA       ALA  12  11.932   5.772  -3.344
   85   1HB   ALA  12          HB1       ALA  12   9.588   6.931  -1.834
   86   2HB   ALA  12          HB2       ALA  12   9.540   6.332  -3.492
   87   3HB   ALA  12          HB3       ALA  12  10.524   7.741  -3.091
   88    HA   PRO  13           HA       PRO  13  14.881   6.988  -0.278
   89   1HB   PRO  13          HB2       PRO  13  14.710   9.638  -1.651
   90   2HB   PRO  13          HB1       PRO  13  16.136   8.693  -1.208
   91   1HG   PRO  13          HG2       PRO  13  15.286   8.747  -3.727
   92   2HG   PRO  13          HG1       PRO  13  15.895   7.243  -3.009
   93   1HD   PRO  13          HD2       PRO  13  13.093   8.059  -3.612
   94   2HD   PRO  13          HD1       PRO  13  13.834   6.448  -3.658
   95    H    MET  14           HN       MET  14  14.874   7.946   1.702
   96    HA   MET  14           HA       MET  14  13.036  10.123   2.269
   97   1HB   MET  14          HB2       MET  14  11.695   8.053   2.545
   98   2HB   MET  14          HB1       MET  14  12.841   7.502   3.757
   99   1HG   MET  14          HG2       MET  14  10.912   8.402   4.846
  100   2HG   MET  14          HG1       MET  14  12.287   9.468   5.133
  101   1HE   MET  14          HE1       MET  14   9.126  10.168   5.536
  102   2HE   MET  14          HE2       MET  14   9.113  11.834   4.960
  103   3HE   MET  14          HE3       MET  14  10.434  11.264   5.979
  104    H    ASP  15           HN       ASP  15  15.884   8.397   2.872
  105    HA   ASP  15           HA       ASP  15  16.842  10.390   4.668
  106   1HB   ASP  15          HB2       ASP  15  15.459   8.938   6.183
  107   2HB   ASP  15          HB1       ASP  15  16.567   7.617   5.831
  108    H    ILE  16           HN       ILE  16  18.488  10.566   3.189
  109    HA   ILE  16           HA       ILE  16  20.773   9.008   3.613
  110    HB   ILE  16           HB       ILE  16  19.853   7.294   2.319
  111   1HG1  ILE  16          HG12      ILE  16  21.469   8.932   0.379
  112   2HG1  ILE  16          HG11      ILE  16  22.160   7.957   1.672
  113   1HG2  ILE  16          HG21      ILE  16  18.993   9.346   0.305
  114   2HG2  ILE  16          HG22      ILE  16  17.942   8.475   1.423
  115   3HG2  ILE  16          HG23      ILE  16  18.788   7.602   0.142
  116   1HD1  ILE  16          HD11      ILE  16  20.542   6.922  -0.644
  117   2HD1  ILE  16          HD12      ILE  16  21.243   5.946   0.646
  118   3HD1  ILE  16          HD13      ILE  16  22.293   6.821  -0.469
  119    H    THR  17           HN       THR  17  21.798  10.979   3.795
  120    HA   THR  17           HA       THR  17  21.571  13.140   2.070
  121    HB   THR  17           HB       THR  17  23.903  13.748   2.757
  122    HG1  THR  17           HG1      THR  17  24.049  11.156   3.288
  123   1HG2  THR  17          HG21      THR  17  22.036  12.915   4.983
  124   2HG2  THR  17          HG22      THR  17  21.996  14.447   4.109
  125   3HG2  THR  17          HG23      THR  17  23.372  14.055   5.141
  126    H    LEU  18           HN       LEU  18  21.835  13.152  -0.058
  127    HA   LEU  18           HA       LEU  18  23.318  11.123  -1.382
  128   1HB   LEU  18          HB2       LEU  18  21.611  13.405  -2.165
  129   2HB   LEU  18          HB1       LEU  18  22.796  12.889  -3.345
  130    HG   LEU  18           HG       LEU  18  20.738  11.784  -3.849
  131   1HD1  LEU  18          HD11      LEU  18  21.359   9.426  -3.620
  132   2HD1  LEU  18          HD12      LEU  18  22.595   9.869  -2.443
  133   3HD1  LEU  18          HD13      LEU  18  22.731  10.417  -4.114
  134   1HD2  LEU  18          HD21      LEU  18  19.666  10.281  -2.162
  135   2HD2  LEU  18          HD22      LEU  18  19.551  12.003  -1.800
  136   3HD2  LEU  18          HD23      LEU  18  20.722  10.999  -0.944
  137    H    THR  19           HN       THR  19  24.767  12.922   0.411
  138    HA   THR  19           HA       THR  19  26.398  14.650  -1.199
  139    HB   THR  19           HB       THR  19  27.617  15.130   0.807
  140    HG1  THR  19           HG1      THR  19  27.565  13.824   2.580
  141   1HG2  THR  19          HG21      THR  19  25.468  16.188   0.765
  142   2HG2  THR  19          HG22      THR  19  25.749  15.624   2.413
  143   3HG2  THR  19          HG23      THR  19  24.674  14.721   1.343
  144    H    GLU  20           HN       GLU  20  26.348  11.340  -0.491
  145    HA   GLU  20           HA       GLU  20  29.089  11.042  -1.523
  146   1HB   GLU  20          HB2       GLU  20  27.714   9.310   0.540
  147   2HB   GLU  20          HB1       GLU  20  29.294   8.989  -0.162
  148   1HG   GLU  20          HG2       GLU  20  30.140  11.072   0.798
  149   2HG   GLU  20          HG1       GLU  20  28.557  11.382   1.510
  150    H    THR  21           HN       THR  21  29.428   9.422  -3.027
  151    HA   THR  21           HA       THR  21  26.997   8.417  -4.306
  152    HB   THR  21           HB       THR  21  29.734   8.051  -5.457
  153    HG1  THR  21           HG1      THR  21  29.946  10.170  -5.339
  154   1HG2  THR  21          HG21      THR  21  27.839   7.041  -6.604
  155   2HG2  THR  21          HG22      THR  21  28.509   8.356  -7.569
  156   3HG2  THR  21          HG23      THR  21  27.019   8.602  -6.657
  157    H    ARG  22           HN       ARG  22  29.294   7.362  -2.135
  158    HA   ARG  22           HA       ARG  22  28.817   4.546  -2.846
  159   1HB   ARG  22          HB2       ARG  22  31.332   5.715  -1.669
  160   2HB   ARG  22          HB1       ARG  22  31.031   4.007  -1.948
  161   1HG   ARG  22          HG2       ARG  22  30.861   4.445  -4.359
  162   2HG   ARG  22          HG1       ARG  22  31.223   6.146  -4.057
  163   1HD   ARG  22          HD2       ARG  22  33.384   5.505  -3.091
  164   2HD   ARG  22          HD1       ARG  22  33.024   3.812  -3.423
  165    HE   ARG  22           HE       ARG  22  32.784   5.076  -5.841
  166   1HH1  ARG  22          HH11      ARG  22  35.291   4.736  -3.445
  167   2HH1  ARG  22          HH12      ARG  22  36.583   4.844  -4.595
  168   1HH2  ARG  22          HH21      ARG  22  34.478   5.217  -7.361
  169   2HH2  ARG  22          HH22      ARG  22  36.120   5.117  -6.820
  170    H    PHE  23           HN       PHE  23  28.692   3.093  -0.990
  171    HA   PHE  23           HA       PHE  23  28.541   4.309   1.650
  172   1HB   PHE  23          HB2       PHE  23  26.208   2.834   0.397
  173   2HB   PHE  23          HB1       PHE  23  26.301   3.338   2.082
  174    HD1  PHE  23           HD1      PHE  23  25.507   5.432   2.715
  175    HD2  PHE  23           HD2      PHE  23  26.382   4.679  -1.378
  176    HE1  PHE  23           HE1      PHE  23  24.561   7.621   2.112
  177    HE2  PHE  23           HE2      PHE  23  25.452   6.860  -1.990
  178    HZ   PHE  23           HZ       PHE  23  24.527   8.340  -0.244
  179    H    LYS  24           HN       LYS  24  29.856   3.058   2.797
  180    HA   LYS  24           HA       LYS  24  30.907   0.626   2.179
  181   1HB   LYS  24          HB2       LYS  24  31.153   0.329   4.730
  182   2HB   LYS  24          HB1       LYS  24  31.932   1.699   3.955
  183   1HG   LYS  24          HG2       LYS  24  30.095   3.147   4.658
  184   2HG   LYS  24          HG1       LYS  24  29.303   1.769   5.424
  185   1HD   LYS  24          HD2       LYS  24  30.455   3.033   7.113
  186   2HD   LYS  24          HD1       LYS  24  31.297   1.500   6.880
  187   1HE   LYS  24          HE2       LYS  24  32.974   2.590   5.518
  188   2HE   LYS  24          HE1       LYS  24  32.104   4.120   5.624
  189   1HZ   LYS  24          HZ1       LYS  24  32.494   4.135   8.008
  190   2HZ   LYS  24          HZ2       LYS  24  33.959   4.048   7.165
  191   3HZ   LYS  24          HZ3       LYS  24  33.326   2.665   7.906
  192    H    THR  25           HN       THR  25  30.693  -1.453   3.405
  193    HA   THR  25           HA       THR  25  28.169  -2.583   2.851
  194    HB   THR  25           HB       THR  25  29.211  -4.509   4.278
  195    HG1  THR  25           HG1      THR  25  30.950  -3.157   5.038
  196   1HG2  THR  25          HG21      THR  25  30.497  -3.802   1.649
  197   2HG2  THR  25          HG22      THR  25  28.842  -4.392   1.776
  198   3HG2  THR  25          HG23      THR  25  30.182  -5.415   2.295
  199    H    GLY  26           HN       GLY  26  29.044  -0.705   5.411
  200   1HA   GLY  26          HA2       GLY  26  27.360  -2.165   7.333
  201   2HA   GLY  26          HA1       GLY  26  28.468  -0.857   7.734
  202    H    THR  27           HN       THR  27  27.239   0.323   5.110
  203    HA   THR  27           HA       THR  27  25.590   2.231   6.343
  204    HB   THR  27           HB       THR  27  26.792   2.315   4.032
  205    HG1  THR  27           HG1      THR  27  24.424   3.508   4.898
  206   1HG2  THR  27          HG21      THR  27  25.421   0.353   3.168
  207   2HG2  THR  27          HG22      THR  27  25.498   1.768   2.119
  208   3HG2  THR  27          HG23      THR  27  24.054   1.469   3.091
  209    H    THR  28           HN       THR  28  23.321   2.663   5.950
  210    HA   THR  28           HA       THR  28  21.619   0.552   5.019
  211    HB   THR  28           HB       THR  28  21.571   1.276   7.961
  212    HG1  THR  28           HG1      THR  28  22.101  -1.173   6.600
  213   1HG2  THR  28          HG21      THR  28  19.703  -0.311   8.130
  214   2HG2  THR  28          HG22      THR  28  19.713  -0.500   6.376
  215   3HG2  THR  28          HG23      THR  28  19.303   1.059   7.092
  216    H    LEU  29           HN       LEU  29  20.027   1.516   3.977
  217    HA   LEU  29           HA       LEU  29  19.517   4.332   4.491
  218   1HB   LEU  29          HB2       LEU  29  18.162   2.763   2.335
  219   2HB   LEU  29          HB1       LEU  29  18.573   4.465   2.368
  220    HG   LEU  29           HG       LEU  29  20.357   2.119   1.791
  221   1HD1  LEU  29          HD11      LEU  29  20.899   3.407  -0.200
  222   2HD1  LEU  29          HD12      LEU  29  19.860   4.721   0.352
  223   3HD1  LEU  29          HD13      LEU  29  19.157   3.159  -0.070
  224   1HD2  LEU  29          HD21      LEU  29  22.272   3.633   1.835
  225   2HD2  LEU  29          HD22      LEU  29  21.542   3.442   3.429
  226   3HD2  LEU  29          HD23      LEU  29  21.243   4.907   2.493
  227    H    LYS  30           HN       LYS  30  17.190   5.066   4.235
  228    HA   LYS  30           HA       LYS  30  15.519   3.498   6.042
  229   1HB   LYS  30          HB2       LYS  30  16.051   6.235   5.817
  230   2HB   LYS  30          HB1       LYS  30  14.403   6.046   5.233
  231   1HG   LYS  30          HG2       LYS  30  15.407   5.028   7.884
  232   2HG   LYS  30          HG1       LYS  30  14.548   6.551   7.646
  233   1HD   LYS  30          HD2       LYS  30  12.646   5.256   6.692
  234   2HD   LYS  30          HD1       LYS  30  13.498   3.772   7.128
  235   1HE   LYS  30          HE2       LYS  30  13.468   4.428   9.474
  236   2HE   LYS  30          HE1       LYS  30  12.657   5.936   9.054
  237   1HZ   LYS  30          HZ1       LYS  30  10.799   4.597   8.184
  238   2HZ   LYS  30          HZ2       LYS  30  11.050   4.371   9.842
  239   3HZ   LYS  30          HZ3       LYS  30  11.565   3.194   8.743
  240    H    TYR  31           HN       TYR  31  14.738   5.646   3.331
  241    HA   TYR  31           HA       TYR  31  13.360   5.434   1.550
  242   1HB   TYR  31          HB2       TYR  31  14.399   2.696   1.958
  243   2HB   TYR  31          HB1       TYR  31  12.947   2.826   0.964
  244    HD1  TYR  31           HD1      TYR  31  13.048   3.731  -1.242
  245    HD2  TYR  31           HD2      TYR  31  16.477   3.855   1.271
  246    HE1  TYR  31           HE1      TYR  31  14.430   4.374  -3.171
  247    HE2  TYR  31           HE2      TYR  31  17.870   4.499  -0.650
  248    HH   TYR  31           HH       TYR  31  16.563   5.519  -3.609
  249    H    THR  32           HN       THR  32  11.226   5.500   1.219
  250    HA   THR  32           HA       THR  32   9.473   4.295   3.256
  251    HB   THR  32           HB       THR  32   9.275   6.609   3.567
  252    HG1  THR  32           HG1      THR  32   7.188   6.186   3.454
  253   1HG2  THR  32          HG21      THR  32  10.524   7.424   1.702
  254   2HG2  THR  32          HG22      THR  32   8.933   8.188   1.648
  255   3HG2  THR  32          HG23      THR  32   9.308   6.848   0.562
  256    H    CYS  33           HN       CYS  33   7.121   4.101   2.364
  257    HA   CYS  33           HA       CYS  33   7.287   2.992  -0.364
  258   1HB   CYS  33          HB2       CYS  33   5.480   2.028   1.855
  259   2HB   CYS  33          HB1       CYS  33   5.709   1.285   0.277
  260    H    LEU  34           HN       LEU  34   6.149   3.880  -1.767
  261    HA   LEU  34           HA       LEU  34   4.592   6.108  -1.622
  262   1HB   LEU  34          HB2       LEU  34   4.249   3.879  -3.624
  263   2HB   LEU  34          HB1       LEU  34   3.728   5.539  -3.835
  264    HG   LEU  34           HG       LEU  34   6.605   4.654  -3.526
  265   1HD1  LEU  34          HD11      LEU  34   5.678   3.898  -5.640
  266   2HD1  LEU  34          HD12      LEU  34   6.802   5.232  -5.905
  267   3HD1  LEU  34          HD13      LEU  34   5.062   5.516  -5.972
  268   1HD2  LEU  34          HD21      LEU  34   7.140   6.946  -4.171
  269   2HD2  LEU  34          HD22      LEU  34   6.195   6.909  -2.682
  270   3HD2  LEU  34          HD23      LEU  34   5.423   7.345  -4.207
  271    HA   PRO  35           HA       PRO  35   0.596   5.433   0.025
  272   1HB   PRO  35          HB2       PRO  35  -1.013   6.410  -2.029
  273   2HB   PRO  35          HB1       PRO  35  -0.281   7.376  -0.745
  274   1HG   PRO  35          HG2       PRO  35   0.651   6.922  -3.545
  275   2HG   PRO  35          HG1       PRO  35   0.705   8.401  -2.569
  276   1HD   PRO  35          HD2       PRO  35   2.898   6.928  -2.956
  277   2HD   PRO  35          HD1       PRO  35   2.580   7.697  -1.386
  278    H    GLY  36           HN       GLY  36   0.254   3.278   0.140
  279   1HA   GLY  36          HA2       GLY  36  -1.609   1.770  -0.638
  280   2HA   GLY  36          HA1       GLY  36  -0.921   1.980  -2.243
  281    H    TYR  37           HN       TYR  37   1.821   1.885  -1.385
  282    HA   TYR  37           HA       TYR  37   2.323  -0.881  -1.638
  283   1HB   TYR  37          HB2       TYR  37   3.958   1.514  -0.884
  284   2HB   TYR  37          HB1       TYR  37   4.617  -0.078  -0.532
  285    HD1  TYR  37           HD1      TYR  37   4.638  -1.753  -2.562
  286    HD2  TYR  37           HD2      TYR  37   4.400   2.480  -2.922
  287    HE1  TYR  37           HE1      TYR  37   5.495  -1.909  -4.860
  288    HE2  TYR  37           HE2      TYR  37   5.262   2.337  -5.224
  289    HH   TYR  37           HH       TYR  37   6.481   0.866  -6.650
  290    H    VAL  38           HN       VAL  38   1.106  -2.005   0.004
  291    HA   VAL  38           HA       VAL  38   1.102  -1.395   2.726
  292    HB   VAL  38           HB       VAL  38   0.269  -3.720   2.995
  293   1HG1  VAL  38          HG11      VAL  38  -1.775  -3.407   1.742
  294   2HG1  VAL  38          HG12      VAL  38  -0.978  -2.257   0.669
  295   3HG1  VAL  38          HG13      VAL  38  -1.230  -1.850   2.367
  296   1HG2  VAL  38          HG21      VAL  38   1.606  -4.843   1.342
  297   2HG2  VAL  38          HG22      VAL  38   0.883  -3.884   0.051
  298   3HG2  VAL  38          HG23      VAL  38  -0.099  -5.049   0.939
  299    H    ARG  39           HN       ARG  39   1.682  -4.193   3.581
  300    HA   ARG  39           HA       ARG  39   4.534  -4.420   3.227
  301   1HB   ARG  39          HB2       ARG  39   5.055  -4.292   5.625
  302   2HB   ARG  39          HB1       ARG  39   4.428  -2.774   5.000
  303   1HG   ARG  39          HG2       ARG  39   2.287  -3.172   5.990
  304   2HG   ARG  39          HG1       ARG  39   2.763  -4.803   6.470
  305   1HD   ARG  39          HD2       ARG  39   4.476  -3.868   7.942
  306   2HD   ARG  39          HD1       ARG  39   3.995  -2.239   7.468
  307    HE   ARG  39           HE       ARG  39   1.791  -3.713   8.491
  308   1HH1  ARG  39          HH11      ARG  39   4.649  -1.966   9.451
  309   2HH1  ARG  39          HH12      ARG  39   4.026  -1.550  11.013
  310   1HH2  ARG  39          HH21      ARG  39   0.963  -3.172  10.545
  311   2HH2  ARG  39          HH22      ARG  39   1.932  -2.237  11.635
  312    H    SER  40           HN       SER  40   5.178  -6.405   3.208
  313    HA   SER  40           HA       SER  40   3.482  -8.492   4.409
  314   1HB   SER  40          HB2       SER  40   3.693  -8.646   1.942
  315   2HB   SER  40          HB1       SER  40   5.447  -8.727   2.109
  316    HG   SER  40           HG       SER  40   3.751 -10.572   3.409
  317    H    HIS  41           HN       HIS  41   6.488  -6.924   4.341
  318    HA   HIS  41           HA       HIS  41   7.620  -8.841   6.268
  319   1HB   HIS  41          HB2       HIS  41   9.155  -7.139   4.286
  320   2HB   HIS  41          HB1       HIS  41   9.848  -8.283   5.431
  321    HD1  HIS  41           HD1      HIS  41   8.553  -8.030   2.035
  322    HD2  HIS  41           HD2      HIS  41   9.140 -11.053   4.825
  323    HE1  HIS  41           HE1      HIS  41   8.457 -10.177   0.729
  324    HE2  HIS  41           HE2      HIS  41   8.713 -11.996   2.454
  325    H    SER  42           HN       SER  42   6.843  -5.615   5.396
  326    HA   SER  42           HA       SER  42   6.656  -3.702   6.589
  327   1HB   SER  42          HB2       SER  42   5.826  -5.055   8.420
  328   2HB   SER  42          HB1       SER  42   7.476  -5.426   8.926
  329    HG   SER  42           HG       SER  42   6.374  -2.813   8.821
  330    H    THR  43           HN       THR  43   9.555  -5.356   6.254
  331    HA   THR  43           HA       THR  43  11.329  -3.626   7.620
  332    HB   THR  43           HB       THR  43  12.292  -4.892   5.117
  333    HG1  THR  43           HG1      THR  43  11.288  -6.366   7.342
  334   1HG2  THR  43          HG21      THR  43  14.120  -5.593   6.600
  335   2HG2  THR  43          HG22      THR  43  13.255  -4.913   7.978
  336   3HG2  THR  43          HG23      THR  43  13.837  -3.854   6.693
  337    H    GLN  44           HN       GLN  44  13.109  -2.452   6.226
  338    HA   GLN  44           HA       GLN  44  12.562  -1.283   3.774
  339   1HB   GLN  44          HB2       GLN  44  11.824   0.984   4.399
  340   2HB   GLN  44          HB1       GLN  44  10.624  -0.233   4.802
  341   1HG   GLN  44          HG2       GLN  44  12.575   0.742   6.850
  342   2HG   GLN  44          HG1       GLN  44  11.105   1.643   6.486
  343   1HE2  GLN  44          HE21      GLN  44   9.097   0.721   6.964
  344   2HE2  GLN  44          HE22      GLN  44   8.942  -0.577   8.094
  345    H    THR  45           HN       THR  45  14.860  -2.003   4.125
  346    HA   THR  45           HA       THR  45  16.470   0.337   4.734
  347    HB   THR  45           HB       THR  45  18.050  -0.950   6.161
  348    HG1  THR  45           HG1      THR  45  16.444  -2.839   7.074
  349   1HG2  THR  45          HG21      THR  45  15.247  -0.839   7.276
  350   2HG2  THR  45          HG22      THR  45  16.329   0.549   7.129
  351   3HG2  THR  45          HG23      THR  45  16.753  -0.793   8.196
  352    H    LEU  46           HN       LEU  46  18.317   0.455   3.590
  353    HA   LEU  46           HA       LEU  46  18.916  -1.780   1.766
  354   1HB   LEU  46          HB2       LEU  46  18.987   1.180   1.352
  355   2HB   LEU  46          HB1       LEU  46  20.066   0.155   0.427
  356    HG   LEU  46           HG       LEU  46  17.049   0.066   0.420
  357   1HD1  LEU  46          HD11      LEU  46  17.980   1.921  -0.846
  358   2HD1  LEU  46          HD12      LEU  46  17.317   0.704  -1.937
  359   3HD1  LEU  46          HD13      LEU  46  19.061   0.817  -1.699
  360   1HD2  LEU  46          HD21      LEU  46  19.028  -1.673  -1.045
  361   2HD2  LEU  46          HD22      LEU  46  17.284  -1.656  -1.306
  362   3HD2  LEU  46          HD23      LEU  46  17.939  -2.187   0.243
  363    H    THR  47           HN       THR  47  20.608  -2.849   2.534
  364    HA   THR  47           HA       THR  47  22.834  -1.311   3.716
  365    HB   THR  47           HB       THR  47  22.311  -4.262   4.108
  366    HG1  THR  47           HG1      THR  47  21.759  -3.034   6.335
  367   1HG2  THR  47          HG21      THR  47  23.809  -4.021   6.008
  368   2HG2  THR  47          HG22      THR  47  23.975  -2.296   5.685
  369   3HG2  THR  47          HG23      THR  47  24.605  -3.472   4.533
  370    H    CYS  48           HN       CYS  48  24.967  -1.808   3.090
  371    HA   CYS  48           HA       CYS  48  25.153  -2.965   0.447
  372   1HB   CYS  48          HB2       CYS  48  26.431  -0.906   1.014
  373   2HB   CYS  48          HB1       CYS  48  27.336  -1.822   2.208
  374    H    ASN  49           HN       ASN  49  25.419  -5.042   0.177
  375    HA   ASN  49           HA       ASN  49  26.537  -6.653   2.342
  376   1HB   ASN  49          HB2       ASN  49  25.718  -8.570   0.834
  377   2HB   ASN  49          HB1       ASN  49  24.486  -7.558   1.589
  378   1HD2  ASN  49          HD21      ASN  49  23.513  -5.900   0.307
  379   2HD2  ASN  49          HD22      ASN  49  23.383  -6.102  -1.404
  380    H    SER  50           HN       SER  50  27.802  -8.684   1.341
  381    HA   SER  50           HA       SER  50  30.050  -7.501  -0.087
  382   1HB   SER  50          HB2       SER  50  30.551  -8.863   1.881
  383   2HB   SER  50          HB1       SER  50  29.717 -10.244   1.166
  384    HG   SER  50           HG       SER  50  32.186  -9.897   0.964
  385    H    ASP  51           HN       ASP  51  28.374  -7.340  -1.877
  386    HA   ASP  51           HA       ASP  51  28.850  -9.462  -3.841
  387   1HB   ASP  51          HB2       ASP  51  26.080  -8.457  -3.195
  388   2HB   ASP  51          HB1       ASP  51  26.510  -9.629  -4.438
  389    H    GLY  52           HN       GLY  52  28.932  -6.347  -2.989
  390   1HA   GLY  52          HA2       GLY  52  29.097  -4.377  -4.139
  391   2HA   GLY  52          HA1       GLY  52  29.314  -5.358  -5.580
  392    H    GLU  53           HN       GLU  53  26.498  -5.978  -3.885
  393    HA   GLU  53           HA       GLU  53  24.909  -4.078  -5.479
  394   1HB   GLU  53          HB2       GLU  53  23.472  -5.707  -6.278
  395   2HB   GLU  53          HB1       GLU  53  25.012  -6.552  -6.315
  396   1HG   GLU  53          HG2       GLU  53  24.469  -7.619  -4.175
  397   2HG   GLU  53          HG1       GLU  53  22.912  -6.793  -4.174
  398    H    TRP  54           HN       TRP  54  22.701  -3.761  -4.635
  399    HA   TRP  54           HA       TRP  54  22.724  -3.655  -1.758
  400   1HB   TRP  54          HB2       TRP  54  20.782  -2.587  -3.819
  401   2HB   TRP  54          HB1       TRP  54  20.731  -2.238  -2.096
  402    HD1  TRP  54           HD1      TRP  54  23.101  -1.686  -5.116
  403    HE1  TRP  54           HE1      TRP  54  24.456   0.460  -4.665
  404    HE3  TRP  54           HE3      TRP  54  21.412  -0.670  -0.448
  405    HZ2  TRP  54           HZ2      TRP  54  24.773   2.340  -2.564
  406    HZ3  TRP  54           HZ3      TRP  54  22.274   1.313   0.745
  407    HH2  TRP  54           HH2      TRP  54  23.922   2.787  -0.300
  408    H    VAL  55           HN       VAL  55  21.910  -5.190  -0.583
  409    HA   VAL  55           HA       VAL  55  20.027  -7.156  -1.712
  410    HB   VAL  55           HB       VAL  55  22.167  -7.221   0.354
  411   1HG1  VAL  55          HG11      VAL  55  20.177  -7.689   1.680
  412   2HG1  VAL  55          HG12      VAL  55  21.202  -9.116   1.517
  413   3HG1  VAL  55          HG13      VAL  55  19.727  -8.974   0.557
  414   1HG2  VAL  55          HG21      VAL  55  22.390  -8.240  -1.899
  415   2HG2  VAL  55          HG22      VAL  55  21.096  -9.362  -1.477
  416   3HG2  VAL  55          HG23      VAL  55  22.616  -9.387  -0.578
  417    H    TYR  56           HN       TYR  56  18.075  -7.576  -0.670
  418    HA   TYR  56           HA       TYR  56  17.454  -6.641   1.865
  419   1HB   TYR  56          HB2       TYR  56  15.921  -4.733   1.308
  420   2HB   TYR  56          HB1       TYR  56  17.619  -4.403   0.982
  421    HD1  TYR  56           HD1      TYR  56  18.429  -4.726  -1.452
  422    HD2  TYR  56           HD2      TYR  56  14.327  -4.418  -0.369
  423    HE1  TYR  56           HE1      TYR  56  17.869  -4.120  -3.768
  424    HE2  TYR  56           HE2      TYR  56  13.756  -3.812  -2.681
  425    HH   TYR  56           HH       TYR  56  14.872  -2.832  -4.658
  426    H    ASN  57           HN       ASN  57  14.923  -6.457   2.188
  427    HA   ASN  57           HA       ASN  57  13.789  -8.825   0.949
  428   1HB   ASN  57          HB2       ASN  57  13.667  -7.905   3.481
  429   2HB   ASN  57          HB1       ASN  57  12.179  -7.209   2.848
  430   1HD2  ASN  57          HD21      ASN  57  12.551  -9.279   4.848
  431   2HD2  ASN  57          HD22      ASN  57  11.705 -10.669   4.270
  432    H    THR  58           HN       THR  58  11.281  -8.617   0.542
  433    HA   THR  58           HA       THR  58  10.986  -6.478  -1.430
  434    HB   THR  58           HB       THR  58   9.150  -8.845  -1.014
  435    HG1  THR  58           HG1      THR  58  11.664  -8.833  -1.923
  436   1HG2  THR  58          HG21      THR  58   8.585  -8.400  -3.398
  437   2HG2  THR  58          HG22      THR  58   9.578  -6.944  -3.321
  438   3HG2  THR  58          HG23      THR  58   8.138  -7.084  -2.312
  439    H    PHE  59           HN       PHE  59  10.833  -5.589   1.146
  440    HA   PHE  59           HA       PHE  59   8.367  -5.498   2.393
  441   1HB   PHE  59          HB2       PHE  59   9.126  -3.236   3.224
  442   2HB   PHE  59          HB1       PHE  59  10.276  -4.548   3.478
  443    HD1  PHE  59           HD1      PHE  59  12.350  -4.641   2.258
  444    HD2  PHE  59           HD2      PHE  59   9.575  -1.479   1.618
  445    HE1  PHE  59           HE1      PHE  59  14.082  -3.367   1.064
  446    HE2  PHE  59           HE2      PHE  59  11.304  -0.199   0.423
  447    HZ   PHE  59           HZ       PHE  59  13.558  -1.148   0.142
  448    H    CYS  60           HN       CYS  60   6.490  -4.420   2.064
  449    HA   CYS  60           HA       CYS  60   4.862  -3.228   1.010
  450   1HB   CYS  60          HB2       CYS  60   7.118  -1.543  -0.095
  451   2HB   CYS  60          HB1       CYS  60   5.429  -1.076   0.070
  452    H    ILE  61           HN       ILE  61   3.940  -4.504  -0.488
  453    HA   ILE  61           HA       ILE  61   5.310  -4.742  -3.081
  454    HB   ILE  61           HB       ILE  61   4.307  -6.863  -3.433
  455   1HG1  ILE  61          HG12      ILE  61   2.768  -6.424  -0.861
  456   2HG1  ILE  61          HG11      ILE  61   2.087  -6.346  -2.483
  457   1HG2  ILE  61          HG21      ILE  61   5.248  -6.726  -0.570
  458   2HG2  ILE  61          HG22      ILE  61   6.287  -6.833  -1.992
  459   3HG2  ILE  61          HG23      ILE  61   5.209  -8.168  -1.586
  460   1HD1  ILE  61          HD11      ILE  61   3.276  -8.780  -1.175
  461   2HD1  ILE  61          HD12      ILE  61   2.640  -8.707  -2.819
  462   3HD1  ILE  61          HD13      ILE  61   1.563  -8.460  -1.444
  463    H    TYR  62           HN       TYR  62   2.736  -3.204  -1.625
  464    HA   TYR  62           HA       TYR  62   0.925  -2.027  -2.515
  465   1HB   TYR  62          HB2       TYR  62   2.840  -1.996  -4.483
  466   2HB   TYR  62          HB1       TYR  62   1.436  -2.667  -5.309
  467    HD1  TYR  62           HD1      TYR  62   3.091   0.236  -4.830
  468    HD2  TYR  62           HD2      TYR  62  -0.848  -1.295  -4.423
  469    HE1  TYR  62           HE1      TYR  62   2.208   2.513  -5.048
  470    HE2  TYR  62           HE2      TYR  62  -1.758   0.981  -4.646
  471    HH   TYR  62           HH       TYR  62   0.208   3.652  -5.621
  472    H    LYS  63           HN       LYS  63  -1.035  -2.915  -2.250
  473    HA   LYS  63           HA       LYS  63  -2.112  -4.620  -4.305
  474   1HB   LYS  63          HB2       LYS  63  -2.749  -6.395  -2.640
  475   2HB   LYS  63          HB1       LYS  63  -1.030  -6.316  -3.002
  476   1HG   LYS  63          HG2       LYS  63  -0.611  -5.133  -0.940
  477   2HG   LYS  63          HG1       LYS  63  -2.337  -5.077  -0.588
  478   1HD   LYS  63          HD2       LYS  63  -2.112  -7.000   0.499
  479   2HD   LYS  63          HD1       LYS  63  -1.764  -7.766  -1.047
  480   1HE   LYS  63          HE2       LYS  63   0.626  -7.198  -0.741
  481   2HE   LYS  63          HE1       LYS  63   0.239  -6.595   0.866
  482   1HZ   LYS  63          HZ1       LYS  63  -0.158  -9.381  -0.079
  483   2HZ   LYS  63          HZ2       LYS  63  -0.558  -8.804   1.459
  484   3HZ   LYS  63          HZ3       LYS  63   1.060  -8.853   0.969
  485    H    ARG  64           HN       ARG  64  -3.381  -2.606  -4.352
  486    HA   ARG  64           HA       ARG  64  -5.142  -2.073  -2.121
  487   1HB   ARG  64          HB2       ARG  64  -6.078  -0.344  -3.743
  488   2HB   ARG  64          HB1       ARG  64  -4.404  -0.135  -3.246
  489   1HG   ARG  64          HG2       ARG  64  -4.009  -1.587  -5.453
  490   2HG   ARG  64          HG1       ARG  64  -5.532  -0.811  -5.891
  491   1HD   ARG  64          HD2       ARG  64  -3.089   0.652  -4.909
  492   2HD   ARG  64          HD1       ARG  64  -3.510   0.448  -6.609
  493    HE   ARG  64           HE       ARG  64  -5.680   1.589  -5.213
  494   1HH1  ARG  64          HH11      ARG  64  -2.501   2.364  -6.409
  495   2HH1  ARG  64          HH12      ARG  64  -2.840   4.054  -6.591
  496   1HH2  ARG  64          HH21      ARG  64  -6.138   3.810  -5.452
  497   2HH2  ARG  64          HH22      ARG  64  -4.908   4.875  -6.048
  498    H    CYS  65           HN       CYS  65  -7.536  -1.548  -2.956
  499    HA   CYS  65           HA       CYS  65  -8.489  -4.053  -4.172
  500   1HB   CYS  65          HB2       CYS  65 -10.061  -2.146  -2.425
  501   2HB   CYS  65          HB1       CYS  65 -10.533  -3.767  -2.928
  502    H    ARG  66           HN       ARG  66  -9.674  -3.939  -6.031
  503    HA   ARG  66           HA       ARG  66  -9.588  -1.705  -7.614
  504   1HB   ARG  66          HB2       ARG  66 -10.122  -3.777  -8.660
  505   2HB   ARG  66          HB1       ARG  66 -11.529  -4.021  -7.632
  506   1HG   ARG  66          HG2       ARG  66 -12.245  -3.425  -9.844
  507   2HG   ARG  66          HG1       ARG  66 -12.616  -2.097  -8.742
  508   1HD   ARG  66          HD2       ARG  66 -11.710  -1.160 -10.744
  509   2HD   ARG  66          HD1       ARG  66 -10.504  -0.999  -9.466
  510    HE   ARG  66           HE       ARG  66  -9.857  -3.337 -10.702
  511   1HH1  ARG  66          HH11      ARG  66 -10.328  -0.054 -11.773
  512   2HH1  ARG  66          HH12      ARG  66  -9.195  -0.182 -13.077
  513   1HH2  ARG  66          HH21      ARG  66  -8.366  -3.513 -12.416
  514   2HH2  ARG  66          HH22      ARG  66  -8.081  -2.149 -13.443
  515    H    HIS  67           HN       HIS  67 -10.875   0.046  -7.976
  516    HA   HIS  67           HA       HIS  67 -12.152   1.297  -5.929
  517   1HB   HIS  67          HB2       HIS  67 -11.547   2.338  -8.109
  518   2HB   HIS  67          HB1       HIS  67 -12.943   1.551  -8.836
  519    HD1  HIS  67           HD1      HIS  67 -15.179   2.684  -8.571
  520    HD2  HIS  67           HD2      HIS  67 -12.217   4.382  -6.206
  521    HE1  HIS  67           HE1      HIS  67 -16.190   4.788  -7.636
  522    HE2  HIS  67           HE2      HIS  67 -14.358   5.832  -6.258
  523    HA   PRO  68           HA       PRO  68 -15.707  -1.218  -4.783
  524   1HB   PRO  68          HB2       PRO  68 -16.597   1.601  -4.301
  525   2HB   PRO  68          HB1       PRO  68 -16.838   0.162  -3.303
  526   1HG   PRO  68          HG2       PRO  68 -14.922   1.941  -2.735
  527   2HG   PRO  68          HG1       PRO  68 -14.673   0.204  -2.489
  528   1HD   PRO  68          HD2       PRO  68 -13.483   1.997  -4.499
  529   2HD   PRO  68          HD1       PRO  68 -12.925   0.412  -3.928
  530    H    GLY  69           HN       GLY  69 -16.031   1.826  -6.581
  531   1HA   GLY  69          HA2       GLY  69 -17.141   2.136  -8.628
  532   2HA   GLY  69          HA1       GLY  69 -17.918   0.573  -8.428
  533    H    GLU  70           HN       GLU  70 -18.762   3.455  -8.838
  534    HA   GLU  70           HA       GLU  70 -20.122   4.690  -6.916
  535   1HB   GLU  70          HB2       GLU  70 -20.223   5.331  -9.292
  536   2HB   GLU  70          HB1       GLU  70 -21.335   4.004  -9.597
  537   1HG   GLU  70          HG2       GLU  70 -22.964   5.029  -8.083
  538   2HG   GLU  70          HG1       GLU  70 -21.849   6.365  -7.802
  539    H    LEU  71           HN       LEU  71 -21.759   4.531  -5.635
  540    HA   LEU  71           HA       LEU  71 -23.266   2.005  -5.567
  541   1HB   LEU  71          HB2       LEU  71 -22.155   2.265  -3.503
  542   2HB   LEU  71          HB1       LEU  71 -22.449   3.992  -3.459
  543    HG   LEU  71           HG       LEU  71 -24.859   3.499  -3.078
  544   1HD1  LEU  71          HD11      LEU  71 -23.860   0.682  -2.789
  545   2HD1  LEU  71          HD12      LEU  71 -25.022   1.280  -3.973
  546   3HD1  LEU  71          HD13      LEU  71 -25.446   1.244  -2.260
  547   1HD2  LEU  71          HD21      LEU  71 -23.221   2.218  -0.937
  548   2HD2  LEU  71          HD22      LEU  71 -24.641   3.259  -0.784
  549   3HD2  LEU  71          HD23      LEU  71 -23.094   3.942  -1.287
  550    H    ARG  72           HN       ARG  72 -25.044   2.328  -6.782
  551    HA   ARG  72           HA       ARG  72 -26.230   4.854  -7.215
  552   1HB   ARG  72          HB2       ARG  72 -26.520   2.976  -8.798
  553   2HB   ARG  72          HB1       ARG  72 -27.463   2.110  -7.594
  554   1HG   ARG  72          HG2       ARG  72 -29.218   3.732  -7.706
  555   2HG   ARG  72          HG1       ARG  72 -28.250   4.777  -8.746
  556   1HD   ARG  72          HD2       ARG  72 -28.230   2.965 -10.447
  557   2HD   ARG  72          HD1       ARG  72 -29.326   2.043  -9.420
  558    HE   ARG  72           HE       ARG  72 -30.557   4.462  -9.775
  559   1HH1  ARG  72          HH11      ARG  72 -29.359   1.948 -11.869
  560   2HH1  ARG  72          HH12      ARG  72 -30.525   2.252 -13.114
  561   1HH2  ARG  72          HH21      ARG  72 -32.096   4.868 -11.409
  562   2HH2  ARG  72          HH22      ARG  72 -32.080   3.911 -12.852
  563    H    ASN  73           HN       ASN  73 -27.517   6.030  -6.235
  564    HA   ASN  73           HA       ASN  73 -28.972   6.886  -4.753
  565   1HB   ASN  73          HB2       ASN  73 -29.602   4.013  -4.000
  566   2HB   ASN  73          HB1       ASN  73 -30.539   5.426  -3.526
  567   1HD2  ASN  73          HD21      ASN  73 -31.236   3.025  -5.101
  568   2HD2  ASN  73          HD22      ASN  73 -31.878   3.626  -6.588
  569    H    GLY  74           HN       GLY  74 -26.242   5.226  -4.139
  570   1HA   GLY  74          HA2       GLY  74 -26.290   6.075  -1.322
  571   2HA   GLY  74          HA1       GLY  74 -25.525   4.585  -1.835
  572    H    GLN  75           HN       GLN  75 -23.820   5.720  -0.529
  573    HA   GLN  75           HA       GLN  75 -22.076   7.179  -2.375
  574   1HB   GLN  75          HB2       GLN  75 -22.651   8.006   0.473
  575   2HB   GLN  75          HB1       GLN  75 -21.347   8.664  -0.505
  576   1HG   GLN  75          HG2       GLN  75 -22.959   9.541  -2.098
  577   2HG   GLN  75          HG1       GLN  75 -24.280   8.846  -1.159
  578   1HE2  GLN  75          HE21      GLN  75 -23.009   9.486   1.390
  579   2HE2  GLN  75          HE22      GLN  75 -23.209  11.188   1.609
  580    H    VAL  76           HN       VAL  76 -19.932   6.726  -2.208
  581    HA   VAL  76           HA       VAL  76 -19.228   4.539  -0.360
  582    HB   VAL  76           HB       VAL  76 -17.824   5.322  -2.918
  583   1HG1  VAL  76          HG11      VAL  76 -16.476   4.228  -1.066
  584   2HG1  VAL  76          HG12      VAL  76 -16.470   3.408  -2.628
  585   3HG1  VAL  76          HG13      VAL  76 -17.480   2.799  -1.316
  586   1HG2  VAL  76          HG21      VAL  76 -19.990   4.427  -3.453
  587   2HG2  VAL  76          HG22      VAL  76 -19.750   3.078  -2.342
  588   3HG2  VAL  76          HG23      VAL  76 -18.769   3.204  -3.801
  589    H    GLU  77           HN       GLU  77 -18.242   5.334   1.415
  590    HA   GLU  77           HA       GLU  77 -16.850   7.816   1.418
  591   1HB   GLU  77          HB2       GLU  77 -17.996   7.039   3.412
  592   2HB   GLU  77          HB1       GLU  77 -16.974   5.611   3.478
  593   1HG   GLU  77          HG2       GLU  77 -15.022   7.028   3.874
  594   2HG   GLU  77          HG1       GLU  77 -16.054   8.456   3.825
  595    H    ILE  78           HN       ILE  78 -15.200   7.635  -0.126
  596    HA   ILE  78           HA       ILE  78 -13.051   5.725   0.473
  597    HB   ILE  78           HB       ILE  78 -13.517   7.442  -1.971
  598   1HG1  ILE  78          HG12      ILE  78 -15.030   5.527  -1.821
  599   2HG1  ILE  78          HG11      ILE  78 -13.855   5.277  -3.107
  600   1HG2  ILE  78          HG21      ILE  78 -11.597   6.269  -2.951
  601   2HG2  ILE  78          HG22      ILE  78 -11.302   5.474  -1.406
  602   3HG2  ILE  78          HG23      ILE  78 -11.135   7.224  -1.542
  603   1HD1  ILE  78          HD11      ILE  78 -14.227   3.240  -1.845
  604   2HD1  ILE  78          HD12      ILE  78 -13.743   4.059  -0.359
  605   3HD1  ILE  78          HD13      ILE  78 -12.568   3.806  -1.650
  606    H    LYS  79           HN       LYS  79 -11.391   6.427   1.639
  607    HA   LYS  79           HA       LYS  79 -10.393   9.136   1.278
  608   1HB   LYS  79          HB2       LYS  79 -10.478   9.685   3.625
  609   2HB   LYS  79          HB1       LYS  79 -12.097   9.297   3.066
  610   1HG   LYS  79          HG2       LYS  79 -10.275   7.501   4.660
  611   2HG   LYS  79          HG1       LYS  79 -11.702   8.343   5.255
  612   1HD   LYS  79          HD2       LYS  79 -13.064   7.033   3.646
  613   2HD   LYS  79          HD1       LYS  79 -11.605   6.131   3.205
  614   1HE   LYS  79          HE2       LYS  79 -13.031   6.200   5.851
  615   2HE   LYS  79          HE1       LYS  79 -12.724   4.823   4.803
  616   1HZ   LYS  79          HZ1       LYS  79 -10.389   4.970   5.278
  617   2HZ   LYS  79          HZ2       LYS  79 -11.250   4.863   6.730
  618   3HZ   LYS  79          HZ3       LYS  79 -10.626   6.351   6.227
  619    H    THR  80           HN       THR  80  -9.517   6.276   0.929
  620    HA   THR  80           HA       THR  80  -6.912   6.672   2.193
  621    HB   THR  80           HB       THR  80  -6.800   4.360   2.982
  622    HG1  THR  80           HG1      THR  80  -9.204   3.488   3.067
  623   1HG2  THR  80          HG21      THR  80  -7.469   5.902   4.651
  624   2HG2  THR  80          HG22      THR  80  -8.578   4.537   4.792
  625   3HG2  THR  80          HG23      THR  80  -9.101   6.024   3.993
  626    H    ASP  81           HN       ASP  81  -8.431   6.423  -0.547
  627    HA   ASP  81           HA       ASP  81  -7.859   5.714  -2.687
  628   1HB   ASP  81          HB2       ASP  81  -5.211   5.333  -1.312
  629   2HB   ASP  81          HB1       ASP  81  -5.460   5.189  -3.050
  630    H    LEU  82           HN       LEU  82  -8.310   3.799  -0.222
  631    HA   LEU  82           HA       LEU  82  -8.680   1.586   0.107
  632   1HB   LEU  82          HB2       LEU  82  -8.239   1.366  -2.861
  633   2HB   LEU  82          HB1       LEU  82  -9.132   0.244  -1.849
  634    HG   LEU  82           HG       LEU  82 -10.153   2.972  -1.693
  635   1HD1  LEU  82          HD11      LEU  82 -11.171   2.989  -3.921
  636   2HD1  LEU  82          HD12      LEU  82 -10.208   1.578  -4.361
  637   3HD1  LEU  82          HD13      LEU  82  -9.413   3.109  -3.987
  638   1HD2  LEU  82          HD21      LEU  82 -11.306   1.024  -0.819
  639   2HD2  LEU  82          HD22      LEU  82 -11.408   0.347  -2.444
  640   3HD2  LEU  82          HD23      LEU  82 -12.267   1.836  -2.053
  641    H    SER  83           HN       SER  83  -6.266   2.302   0.841
  642    HA   SER  83           HA       SER  83  -4.218   0.781  -0.512
  643   1HB   SER  83          HB2       SER  83  -2.708   1.695   1.213
  644   2HB   SER  83          HB1       SER  83  -3.649   2.956   0.417
  645    HG   SER  83           HG       SER  83  -3.723   2.069   3.038
  646    H    PHE  84           HN       PHE  84  -6.353  -0.813   0.574
  647    HA   PHE  84           HA       PHE  84  -6.691  -2.743   1.717
  648   1HB   PHE  84          HB2       PHE  84  -4.804  -3.629   0.585
  649   2HB   PHE  84          HB1       PHE  84  -3.680  -2.721   1.592
  650    HD1  PHE  84           HD1      PHE  84  -6.213  -5.436   1.733
  651    HD2  PHE  84           HD2      PHE  84  -2.746  -3.692   3.480
  652    HE1  PHE  84           HE1      PHE  84  -6.010  -7.365   3.248
  653    HE2  PHE  84           HE2      PHE  84  -2.535  -5.618   4.996
  654    HZ   PHE  84           HZ       PHE  84  -4.168  -7.458   4.881
  655    H    GLY  85           HN       GLY  85  -7.203  -3.341   3.764
  656   1HA   GLY  85          HA2       GLY  85  -6.979  -3.490   6.084
  657   2HA   GLY  85          HA1       GLY  85  -5.624  -2.374   6.004
  658    H    SER  86           HN       SER  86  -8.437  -1.412   4.290
  659    HA   SER  86           HA       SER  86  -9.148   0.371   6.520
  660   1HB   SER  86          HB2       SER  86  -9.861   2.030   4.768
  661   2HB   SER  86          HB1       SER  86  -8.120   1.739   4.849
  662    HG   SER  86           HG       SER  86  -8.795   1.691   2.702
  663    H    GLN  87           HN       GLN  87 -11.291   1.221   6.478
  664    HA   GLN  87           HA       GLN  87 -13.247  -0.669   5.353
  665   1HB   GLN  87          HB2       GLN  87 -13.430  -1.214   7.585
  666   2HB   GLN  87          HB1       GLN  87 -12.952   0.386   8.127
  667   1HG   GLN  87          HG2       GLN  87 -15.567   0.101   6.751
  668   2HG   GLN  87          HG1       GLN  87 -15.415  -0.500   8.403
  669   1HE2  GLN  87          HE21      GLN  87 -15.519   2.276   6.366
  670   2HE2  GLN  87          HE22      GLN  87 -15.545   3.465   7.615
  671    H    ILE  88           HN       ILE  88 -14.907   0.235   4.243
  672    HA   ILE  88           HA       ILE  88 -15.179   3.166   4.382
  673    HB   ILE  88           HB       ILE  88 -15.830   3.166   2.023
  674   1HG1  ILE  88          HG12      ILE  88 -15.019   0.252   1.997
  675   2HG1  ILE  88          HG11      ILE  88 -16.688   0.814   1.992
  676   1HG2  ILE  88          HG21      ILE  88 -13.632   2.781   1.070
  677   2HG2  ILE  88          HG22      ILE  88 -13.176   1.807   2.468
  678   3HG2  ILE  88          HG23      ILE  88 -13.487   3.532   2.660
  679   1HD1  ILE  88          HD11      ILE  88 -16.024   0.235  -0.237
  680   2HD1  ILE  88          HD12      ILE  88 -14.623   1.301  -0.136
  681   3HD1  ILE  88          HD13      ILE  88 -16.250   1.981  -0.133
  682    H    GLU  89           HN       GLU  89 -17.127   3.912   4.902
  683    HA   GLU  89           HA       GLU  89 -19.307   1.999   5.181
  684   1HB   GLU  89          HB2       GLU  89 -18.606   3.674   6.991
  685   2HB   GLU  89          HB1       GLU  89 -19.369   4.900   5.987
  686   1HG   GLU  89          HG2       GLU  89 -21.494   3.747   6.146
  687   2HG   GLU  89          HG1       GLU  89 -20.746   2.466   7.098
  688    H    PHE  90           HN       PHE  90 -21.520   2.735   4.580
  689    HA   PHE  90           HA       PHE  90 -21.480   4.251   2.050
  690   1HB   PHE  90          HB2       PHE  90 -23.255   1.897   2.718
  691   2HB   PHE  90          HB1       PHE  90 -23.203   2.773   1.190
  692    HD1  PHE  90           HD1      PHE  90 -21.233   2.575  -0.285
  693    HD2  PHE  90           HD2      PHE  90 -21.649   0.232   3.249
  694    HE1  PHE  90           HE1      PHE  90 -19.502   1.035  -1.106
  695    HE2  PHE  90           HE2      PHE  90 -19.917  -1.310   2.430
  696    HZ   PHE  90           HZ       PHE  90 -18.841  -0.910   0.252
  697    H    SER  91           HN       SER  91 -23.984   4.668   1.481
  698    HA   SER  91           HA       SER  91 -25.572   5.389   3.753
  699   1HB   SER  91          HB2       SER  91 -25.606   7.836   3.247
  700   2HB   SER  91          HB1       SER  91 -24.061   7.261   3.876
  701    HG   SER  91           HG       SER  91 -24.735   7.905   1.203
  702    H    CYS  92           HN       CYS  92 -27.519   4.841   3.108
  703    HA   CYS  92           HA       CYS  92 -28.212   5.032   0.291
  704   1HB   CYS  92          HB2       CYS  92 -28.792   3.040   1.819
  705   2HB   CYS  92          HB1       CYS  92 -30.069   4.066   2.460
  706    H    SER  93           HN       SER  93 -29.068   6.811  -0.496
  707    HA   SER  93           HA       SER  93 -29.656   9.107   0.861
  708   1HB   SER  93          HB2       SER  93 -31.163   9.651  -1.150
  709   2HB   SER  93          HB1       SER  93 -29.461   9.300  -1.471
  710    HG   SER  93           HG       SER  93 -30.352   7.022  -1.726
  711    H    GLU  94           HN       GLU  94 -31.729  10.260   1.022
  712    HA   GLU  94           HA       GLU  94 -33.425   9.245   2.893
  713   1HB   GLU  94          HB2       GLU  94 -33.520  11.553   2.500
  714   2HB   GLU  94          HB1       GLU  94 -33.802  11.342   0.779
  715   1HG   GLU  94          HG2       GLU  94 -36.045  10.567   1.204
  716   2HG   GLU  94          HG1       GLU  94 -35.774  10.661   2.944
  717    H    GLY  95           HN       GLY  95 -35.596   8.500   2.862
  718   1HA   GLY  95          HA2       GLY  95 -37.427   7.347   2.042
  719   2HA   GLY  95          HA1       GLY  95 -36.786   7.555   0.421
  720    H    PHE  96           HN       PHE  96 -34.200   6.317   1.040
  721    HA   PHE  96           HA       PHE  96 -35.140   3.524   1.175
  722   1HB   PHE  96          HB2       PHE  96 -32.542   4.044  -0.120
  723   2HB   PHE  96          HB1       PHE  96 -33.828   2.941  -0.589
  724    HD1  PHE  96           HD1      PHE  96 -35.962   4.068  -1.587
  725    HD2  PHE  96           HD2      PHE  96 -32.130   5.905  -1.372
  726    HE1  PHE  96           HE1      PHE  96 -36.611   5.610  -3.390
  727    HE2  PHE  96           HE2      PHE  96 -32.773   7.457  -3.177
  728    HZ   PHE  96           HZ       PHE  96 -35.016   7.309  -4.187
  729    H    PHE  97           HN       PHE  97 -33.569   1.990   2.083
  730    HA   PHE  97           HA       PHE  97 -31.779   3.310   4.008
  731   1HB   PHE  97          HB2       PHE  97 -32.290   1.656   5.663
  732   2HB   PHE  97          HB1       PHE  97 -33.805   2.309   5.061
  733    HD1  PHE  97           HD1      PHE  97 -34.789   0.915   2.987
  734    HD2  PHE  97           HD2      PHE  97 -32.187  -0.597   5.998
  735    HE1  PHE  97           HE1      PHE  97 -35.617  -1.361   2.557
  736    HE2  PHE  97           HE2      PHE  97 -33.010  -2.875   5.571
  737    HZ   PHE  97           HZ       PHE  97 -34.728  -3.260   3.849
  738    H    LEU  98           HN       LEU  98 -30.079   1.902   4.858
  739    HA   LEU  98           HA       LEU  98 -28.622   0.757   2.645
  740   1HB   LEU  98          HB2       LEU  98 -27.655   2.277   4.417
  741   2HB   LEU  98          HB1       LEU  98 -27.803   0.947   5.545
  742    HG   LEU  98           HG       LEU  98 -25.511   1.316   4.572
  743   1HD1  LEU  98          HD11      LEU  98 -26.039  -0.762   5.643
  744   2HD1  LEU  98          HD12      LEU  98 -25.091  -1.092   4.192
  745   3HD1  LEU  98          HD13      LEU  98 -26.834  -1.360   4.187
  746   1HD2  LEU  98          HD21      LEU  98 -26.185   1.845   2.292
  747   2HD2  LEU  98          HD22      LEU  98 -26.797   0.204   2.086
  748   3HD2  LEU  98          HD23      LEU  98 -25.072   0.478   2.331
  749    H    ILE  99           HN       ILE  99 -28.163  -1.348   2.306
  750    HA   ILE  99           HA       ILE  99 -28.517  -3.392   4.325
  751    HB   ILE  99           HB       ILE  99 -29.912  -4.205   1.911
  752   1HG1  ILE  99          HG12      ILE  99 -31.437  -2.241   3.574
  753   2HG1  ILE  99          HG11      ILE  99 -30.480  -1.688   2.206
  754   1HG2  ILE  99          HG21      ILE  99 -31.530  -5.062   3.511
  755   2HG2  ILE  99          HG22      ILE  99 -30.756  -4.144   4.803
  756   3HG2  ILE  99          HG23      ILE  99 -29.887  -5.458   4.011
  757   1HD1  ILE  99          HD11      ILE  99 -32.806  -2.001   1.591
  758   2HD1  ILE  99          HD12      ILE  99 -32.718  -3.693   2.083
  759   3HD1  ILE  99          HD13      ILE  99 -31.761  -3.120   0.716
  760    H    GLY 100           HN       GLY 100 -26.749  -4.505   4.079
  761   1HA   GLY 100          HA2       GLY 100 -25.779  -6.228   2.465
  762   2HA   GLY 100          HA1       GLY 100 -25.598  -4.848   1.393
  763    H    SER 101           HN       SER 101 -25.069  -5.064   4.853
  764    HA   SER 101           HA       SER 101 -23.255  -4.680   6.165
  765   1HB   SER 101          HB2       SER 101 -22.185  -6.492   4.888
  766   2HB   SER 101          HB1       SER 101 -21.677  -5.332   3.660
  767    HG   SER 101           HG       SER 101 -20.763  -5.647   6.299
  768    H    THR 102           HN       THR 102 -23.471  -2.554   6.636
  769    HA   THR 102           HA       THR 102 -23.035  -0.460   4.802
  770    HB   THR 102           HB       THR 102 -24.426  -0.015   6.694
  771    HG1  THR 102           HG1      THR 102 -23.624   1.948   7.075
  772   1HG2  THR 102          HG21      THR 102 -23.588  -0.067   8.973
  773   2HG2  THR 102          HG22      THR 102 -21.998  -0.559   8.388
  774   3HG2  THR 102          HG23      THR 102 -23.378  -1.639   8.201
  775    H    THR 103           HN       THR 103 -20.889  -2.499   6.272
  776    HA   THR 103           HA       THR 103 -18.732  -0.522   6.038
  777    HB   THR 103           HB       THR 103 -17.405  -2.094   7.425
  778    HG1  THR 103           HG1      THR 103 -19.851  -3.329   8.120
  779   1HG2  THR 103          HG21      THR 103 -18.509  -1.507   9.547
  780   2HG2  THR 103          HG22      THR 103 -19.951  -1.046   8.643
  781   3HG2  THR 103          HG23      THR 103 -18.448  -0.149   8.423
  782    H    SER 104           HN       SER 104 -16.732  -1.233   5.056
  783    HA   SER 104           HA       SER 104 -16.769  -3.746   3.618
  784   1HB   SER 104          HB2       SER 104 -16.708  -1.042   2.276
  785   2HB   SER 104          HB1       SER 104 -16.045  -2.481   1.504
  786    HG   SER 104           HG       SER 104 -18.543  -2.877   2.527
  787    H    ARG 105           HN       ARG 105 -14.927  -4.618   4.192
  788    HA   ARG 105           HA       ARG 105 -12.624  -2.895   4.781
  789   1HB   ARG 105          HB2       ARG 105 -13.014  -5.820   5.438
  790   2HB   ARG 105          HB1       ARG 105 -11.718  -4.780   6.013
  791   1HG   ARG 105          HG2       ARG 105 -13.328  -3.432   7.244
  792   2HG   ARG 105          HG1       ARG 105 -14.643  -4.445   6.648
  793   1HD   ARG 105          HD2       ARG 105 -13.645  -6.385   7.766
  794   2HD   ARG 105          HD1       ARG 105 -12.349  -5.358   8.380
  795    HE   ARG 105           HE       ARG 105 -14.800  -4.256   9.162
  796   1HH1  ARG 105          HH11      ARG 105 -12.837  -7.068   9.778
  797   2HH1  ARG 105          HH12      ARG 105 -13.423  -7.282  11.394
  798   1HH2  ARG 105          HH21      ARG 105 -15.577  -4.530  11.287
  799   2HH2  ARG 105          HH22      ARG 105 -14.981  -5.840  12.252
  800    H    CYS 106           HN       CYS 106 -10.505  -3.559   4.092
  801    HA   CYS 106           HA       CYS 106 -10.577  -4.769   1.424
  802   1HB   CYS 106          HB2       CYS 106  -9.053  -2.585   2.645
  803   2HB   CYS 106          HB1       CYS 106  -8.048  -3.709   1.737
  804    H    GLU 107           HN       GLU 107  -9.976  -6.800   1.285
  805    HA   GLU 107           HA       GLU 107  -8.021  -7.826   3.230
  806   1HB   GLU 107          HB2       GLU 107 -10.374  -8.677   3.457
  807   2HB   GLU 107          HB1       GLU 107 -10.205  -9.403   1.863
  808   1HG   GLU 107          HG2       GLU 107  -8.281 -10.716   2.728
  809   2HG   GLU 107          HG1       GLU 107  -8.629 -10.076   4.334
  810    H    VAL 108           HN       VAL 108  -7.004  -9.921   2.354
  811    HA   VAL 108           HA       VAL 108  -6.490  -9.677  -0.522
  812    HB   VAL 108           HB       VAL 108  -4.393  -9.627   1.622
  813   1HG1  VAL 108          HG11      VAL 108  -3.878 -10.108  -1.312
  814   2HG1  VAL 108          HG12      VAL 108  -3.854 -11.384  -0.092
  815   3HG1  VAL 108          HG13      VAL 108  -2.693 -10.060  -0.005
  816   1HG2  VAL 108          HG21      VAL 108  -3.710  -7.627   0.578
  817   2HG2  VAL 108          HG22      VAL 108  -5.473  -7.548   0.642
  818   3HG2  VAL 108          HG23      VAL 108  -4.662  -7.971  -0.867
  819    H    GLN 109           HN       GLN 109  -6.440 -11.420  -1.599
  820    HA   GLN 109           HA       GLN 109  -6.078 -14.000  -0.221
  821   1HB   GLN 109          HB2       GLN 109  -7.767 -13.406  -2.664
  822   2HB   GLN 109          HB1       GLN 109  -7.612 -14.968  -1.870
  823   1HG   GLN 109          HG2       GLN 109  -8.841 -14.294  -0.021
  824   2HG   GLN 109          HG1       GLN 109  -8.581 -12.583  -0.350
  825   1HE2  GLN 109          HE21      GLN 109 -10.766 -12.119  -0.223
  826   2HE2  GLN 109          HE22      GLN 109 -11.883 -12.575  -1.461
  827    H    ASP 110           HN       ASP 110  -4.022 -14.557  -0.642
  828    HA   ASP 110           HA       ASP 110  -2.136 -15.129  -1.773
  829   1HB   ASP 110          HB2       ASP 110  -4.164 -15.332  -3.997
  830   2HB   ASP 110          HB1       ASP 110  -2.469 -15.756  -4.223
  831    H    ARG 111           HN       ARG 111  -1.587 -14.406  -4.601
  832    HA   ARG 111           HA       ARG 111  -0.663 -11.747  -4.123
  833   1HB   ARG 111          HB2       ARG 111  -0.495 -13.578  -6.516
  834   2HB   ARG 111          HB1       ARG 111   0.223 -11.980  -6.469
  835   1HG   ARG 111          HG2       ARG 111   1.565 -12.694  -4.508
  836   2HG   ARG 111          HG1       ARG 111   0.918 -14.322  -4.720
  837   1HD   ARG 111          HD2       ARG 111   1.865 -14.395  -6.979
  838   2HD   ARG 111          HD1       ARG 111   2.527 -12.777  -6.749
  839    HE   ARG 111           HE       ARG 111   3.353 -14.707  -4.769
  840   1HH1  ARG 111          HH11      ARG 111   4.054 -13.246  -7.854
  841   2HH1  ARG 111          HH12      ARG 111   5.739 -13.643  -7.803
  842   1HH2  ARG 111          HH21      ARG 111   5.568 -15.233  -4.694
  843   2HH2  ARG 111          HH22      ARG 111   6.600 -14.773  -6.007
  844    H    GLY 112           HN       GLY 112  -3.522 -12.032  -4.125
  845   1HA   GLY 112          HA2       GLY 112  -4.118  -9.937  -6.033
  846   2HA   GLY 112          HA1       GLY 112  -5.002 -11.436  -6.267
  847    H    VAL 113           HN       VAL 113  -4.434  -8.737  -4.182
  848    HA   VAL 113           HA       VAL 113  -5.940  -9.156  -1.973
  849    HB   VAL 113           HB       VAL 113  -5.266  -7.049  -1.748
  850   1HG1  VAL 113          HG11      VAL 113  -5.387  -6.737  -4.739
  851   2HG1  VAL 113          HG12      VAL 113  -3.973  -7.229  -3.796
  852   3HG1  VAL 113          HG13      VAL 113  -4.641  -5.602  -3.612
  853   1HG2  VAL 113          HG21      VAL 113  -7.687  -6.687  -1.803
  854   2HG2  VAL 113          HG22      VAL 113  -7.587  -6.337  -3.528
  855   3HG2  VAL 113          HG23      VAL 113  -6.789  -5.278  -2.364
  856    H    GLY 114           HN       GLY 114  -8.120  -8.984  -1.336
  857   1HA   GLY 114          HA2       GLY 114  -9.968  -9.156  -3.618
  858   2HA   GLY 114          HA1       GLY 114 -10.088 -10.189  -2.206
  859    H    TRP 115           HN       TRP 115 -12.024  -8.262  -3.390
  860    HA   TRP 115           HA       TRP 115 -12.270  -6.261  -1.309
  861   1HB   TRP 115          HB2       TRP 115 -13.165  -6.439  -3.994
  862   2HB   TRP 115          HB1       TRP 115 -14.599  -6.390  -2.981
  863    HD1  TRP 115           HD1      TRP 115 -12.893  -4.066  -4.908
  864    HE1  TRP 115           HE1      TRP 115 -12.840  -1.701  -3.897
  865    HE3  TRP 115           HE3      TRP 115 -14.077  -5.215  -0.066
  866    HZ2  TRP 115           HZ2      TRP 115 -13.240  -0.481  -1.387
  867    HZ3  TRP 115           HZ3      TRP 115 -14.218  -3.389   1.575
  868    HH2  TRP 115           HH2      TRP 115 -13.809  -1.073   0.927
  869    H    SER 116           HN       SER 116 -13.276  -6.692   0.546
  870    HA   SER 116           HA       SER 116 -14.558  -9.096   1.126
  871   1HB   SER 116          HB2       SER 116 -14.866  -6.415   2.505
  872   2HB   SER 116          HB1       SER 116 -15.361  -7.968   3.180
  873    HG   SER 116           HG       SER 116 -13.393  -8.136   3.864
  874    H    HIS 117           HN       HIS 117 -16.170  -5.905   0.937
  875    HA   HIS 117           HA       HIS 117 -18.419  -7.170  -0.443
  876   1HB   HIS 117          HB2       HIS 117 -18.700  -5.520   2.079
  877   2HB   HIS 117          HB1       HIS 117 -20.039  -6.057   1.068
  878    HD1  HIS 117           HD1      HIS 117 -20.663  -8.573   1.163
  879    HD2  HIS 117           HD2      HIS 117 -17.606  -7.468   3.752
  880    HE1  HIS 117           HE1      HIS 117 -20.389 -10.509   2.746
  881    HE2  HIS 117           HE2      HIS 117 -18.543  -9.814   4.312
  882    HA   PRO 118           HA       PRO 118 -18.236  -3.224  -2.512
  883   1HB   PRO 118          HB2       PRO 118 -19.851  -3.829  -4.539
  884   2HB   PRO 118          HB1       PRO 118 -18.300  -4.653  -4.342
  885   1HG   PRO 118          HG2       PRO 118 -21.051  -5.638  -3.814
  886   2HG   PRO 118          HG1       PRO 118 -19.610  -6.539  -4.314
  887   1HD   PRO 118          HD2       PRO 118 -20.665  -6.263  -1.676
  888   2HD   PRO 118          HD1       PRO 118 -19.163  -7.077  -2.161
  889    H    LEU 119           HN       LEU 119 -20.469  -2.331  -4.033
  890    HA   LEU 119           HA       LEU 119 -21.860  -0.733  -2.241
  891   1HB   LEU 119          HB2       LEU 119 -22.818  -1.565  -4.961
  892   2HB   LEU 119          HB1       LEU 119 -23.164  -0.076  -4.121
  893    HG   LEU 119           HG       LEU 119 -21.583   0.659  -5.601
  894   1HD1  LEU 119          HD11      LEU 119 -19.945  -0.398  -3.318
  895   2HD1  LEU 119          HD12      LEU 119 -20.751   1.167  -3.403
  896   3HD1  LEU 119          HD13      LEU 119 -19.399   0.813  -4.479
  897   1HD2  LEU 119          HD21      LEU 119 -21.220  -1.475  -6.691
  898   2HD2  LEU 119          HD22      LEU 119 -20.187  -1.996  -5.359
  899   3HD2  LEU 119          HD23      LEU 119 -19.683  -0.661  -6.397
  900    HA   PRO 120           HA       PRO 120 -24.736  -3.686  -0.505
  901   1HB   PRO 120          HB2       PRO 120 -26.059  -1.234   0.484
  902   2HB   PRO 120          HB1       PRO 120 -25.427  -2.615   1.386
  903   1HG   PRO 120          HG2       PRO 120 -24.168  -0.262   1.417
  904   2HG   PRO 120          HG1       PRO 120 -23.263  -1.787   1.392
  905   1HD   PRO 120          HD2       PRO 120 -23.842   0.111  -0.854
  906   2HD   PRO 120          HD1       PRO 120 -22.333  -0.743  -0.462
  907    H    GLN 121           HN       GLN 121 -27.376  -2.184   0.001
  908    HA   GLN 121           HA       GLN 121 -28.447  -2.212  -2.729
  909   1HB   GLN 121          HB2       GLN 121 -28.762  -4.456  -1.634
  910   2HB   GLN 121          HB1       GLN 121 -29.774  -3.660  -0.440
  911   1HG   GLN 121          HG2       GLN 121 -31.323  -2.971  -2.180
  912   2HG   GLN 121          HG1       GLN 121 -30.302  -3.728  -3.402
  913   1HE2  GLN 121          HE21      GLN 121 -29.663  -5.991  -1.660
  914   2HE2  GLN 121          HE22      GLN 121 -31.071  -6.990  -1.646
  915    H    CYS 122           HN       CYS 122 -29.619  -0.444  -3.103
  916    HA   CYS 122           HA       CYS 122 -30.747   0.983  -0.800
  917   1HB   CYS 122          HB2       CYS 122 -29.460   1.833  -3.292
  918   2HB   CYS 122          HB1       CYS 122 -30.947   2.706  -2.933
  919    H    GLU 123           HN       GLU 123 -32.840   0.456  -0.478
  920    HA   GLU 123           HA       GLU 123 -34.632   0.537  -2.804
  921   1HB   GLU 123          HB2       GLU 123 -35.898  -1.361  -1.925
  922   2HB   GLU 123          HB1       GLU 123 -34.239  -1.823  -2.280
  923   1HG   GLU 123          HG2       GLU 123 -33.669  -1.726   0.061
  924   2HG   GLU 123          HG1       GLU 123 -35.284  -1.141   0.457
  925    H    ILE 124           HN       ILE 124 -36.724   1.231  -2.405
  926    HA   ILE 124           HA       ILE 124 -36.919   3.262  -0.438
  927    HB   ILE 124           HB       ILE 124 -38.106   3.351  -2.603
  928   1HG1  ILE 124          HG12      ILE 124 -40.319   4.119  -1.679
  929   2HG1  ILE 124          HG11      ILE 124 -39.817   3.485  -0.116
  930   1HG2  ILE 124          HG21      ILE 124 -40.169   2.058  -2.909
  931   2HG2  ILE 124          HG22      ILE 124 -39.835   1.191  -1.409
  932   3HG2  ILE 124          HG23      ILE 124 -38.748   1.020  -2.787
  933   1HD1  ILE 124          HD11      ILE 124 -39.458   5.868  -0.221
  934   2HD1  ILE 124          HD12      ILE 124 -38.457   5.676  -1.661
  935   3HD1  ILE 124          HD13      ILE 124 -37.914   5.023  -0.115
  936    H    LEU 125           HN       LEU 125 -38.184   3.379   1.421
  937    HA   LEU 125           HA       LEU 125 -38.446   0.949   2.894
  938   1HB   LEU 125          HB2       LEU 125 -39.416   3.737   3.531
  939   2HB   LEU 125          HB1       LEU 125 -39.398   2.397   4.660
  940    HG   LEU 125           HG       LEU 125 -36.914   3.523   3.368
  941   1HD1  LEU 125          HD11      LEU 125 -36.498   4.608   5.529
  942   2HD1  LEU 125          HD12      LEU 125 -38.091   4.095   6.083
  943   3HD1  LEU 125          HD13      LEU 125 -37.948   5.233   4.744
  944   1HD2  LEU 125          HD21      LEU 125 -37.277   1.712   5.751
  945   2HD2  LEU 125          HD22      LEU 125 -35.742   2.283   5.092
  946   3HD2  LEU 125          HD23      LEU 125 -36.759   1.196   4.146
  947    H    GLU 126           HN       GLU 126 -40.136  -0.381   3.029
  948    HA   GLU 126           HA       GLU 126 -42.382  -0.200   1.413
  949   1HB   GLU 126          HB2       GLU 126 -41.558  -2.282   2.487
  950   2HB   GLU 126          HB1       GLU 126 -42.160  -1.697   4.032
  951   1HG   GLU 126          HG2       GLU 126 -43.719  -3.268   3.122
  952   2HG   GLU 126          HG1       GLU 126 -44.440  -1.659   3.092
  953    H    HIS 127           HN       HIS 127 -44.322   0.762   1.567
  954    HA   HIS 127           HA       HIS 127 -45.435   1.591   4.085
  955   1HB   HIS 127          HB2       HIS 127 -43.741   3.389   3.486
  956   2HB   HIS 127          HB1       HIS 127 -44.764   3.773   2.105
  957    HD1  HIS 127           HD1      HIS 127 -46.563   5.433   2.512
  958    HD2  HIS 127           HD2      HIS 127 -45.168   3.745   6.043
  959    HE1  HIS 127           HE1      HIS 127 -47.720   6.687   4.360
  960    HE2  HIS 127           HE2      HIS 127 -46.816   5.688   6.489
  961    H    HIS 128           HN       HIS 128 -46.178  -0.084   1.839
  962    HA   HIS 128           HA       HIS 128 -47.995  -0.590   0.570
  963   1HB   HIS 128          HB2       HIS 128 -49.246   1.610   2.227
  964   2HB   HIS 128          HB1       HIS 128 -50.146   0.529   1.169
  965    HD1  HIS 128           HD1      HIS 128 -48.481   0.693   4.485
  966    HD2  HIS 128           HD2      HIS 128 -50.385  -2.130   2.103
  967    HE1  HIS 128           HE1      HIS 128 -48.924  -1.270   5.993
  968    HE2  HIS 128           HE2      HIS 128 -50.037  -2.985   4.519
  969    H    HIS 129           HN       HIS 129 -49.894   0.712  -0.750
  970    HA   HIS 129           HA       HIS 129 -48.441   2.745  -2.310
  971   1HB   HIS 129          HB2       HIS 129 -50.439   0.680  -3.255
  972   2HB   HIS 129          HB1       HIS 129 -49.786   1.967  -4.264
  973    HD1  HIS 129           HD1      HIS 129 -49.041  -1.398  -2.980
  974    HD2  HIS 129           HD2      HIS 129 -46.980   1.698  -4.832
  975    HE1  HIS 129           HE1      HIS 129 -46.891  -2.415  -3.794
  976    HE2  HIS 129           HE2      HIS 129 -45.614  -0.498  -4.817
  977    H    HIS 130           HN       HIS 130 -51.727   1.635  -1.490
  978    HA   HIS 130           HA       HIS 130 -53.678   2.755  -1.156
  979   1HB   HIS 130          HB2       HIS 130 -52.170   3.814   0.602
  980   2HB   HIS 130          HB1       HIS 130 -51.976   5.164  -0.510
  981    HD1  HIS 130           HD1      HIS 130 -54.727   3.354   1.373
  982    HD2  HIS 130           HD2      HIS 130 -53.932   7.054  -0.343
  983    HE1  HIS 130           HE1      HIS 130 -56.661   4.826   2.019
  984    HE2  HIS 130           HE2      HIS 130 -56.109   7.084   1.050
  985    H    HIS 131           HN       HIS 131 -52.084   3.015  -3.768
  986    HA   HIS 131           HA       HIS 131 -53.745   5.166  -4.896
  987   1HB   HIS 131          HB2       HIS 131 -51.406   5.939  -4.712
  988   2HB   HIS 131          HB1       HIS 131 -50.883   4.558  -5.671
  989    HD1  HIS 131           HD1      HIS 131 -51.372   4.623  -8.212
  990    HD2  HIS 131           HD2      HIS 131 -52.574   8.028  -6.156
  991    HE1  HIS 131           HE1      HIS 131 -51.856   6.342  -9.983
  992    HE2  HIS 131           HE2      HIS 131 -52.485   8.423  -8.711
  993    H    HIS 132           HN       HIS 132 -51.746   2.332  -5.699
  994    HA   HIS 132           HA       HIS 132 -53.660   1.702  -7.849
  995   1HB   HIS 132          HB2       HIS 132 -51.400   2.187  -8.683
  996   2HB   HIS 132          HB1       HIS 132 -50.740   0.936  -7.634
  997    HD1  HIS 132           HD1      HIS 132 -50.547  -1.331  -8.627
  998    HD2  HIS 132           HD2      HIS 132 -53.222   1.069 -10.715
  999    HE1  HIS 132           HE1      HIS 132 -51.220  -2.673 -10.645
 1000    HE2  HIS 132           HE2      HIS 132 -52.777  -1.169 -11.935
  Start of MODEL   31
    1   1H    MET   0           HT1      MET   0  34.712  -4.261   1.825
    2   2H    MET   0           HT2      MET   0  33.030  -4.156   1.686
    3   3H    MET   0           HT3      MET   0  33.889  -2.938   2.482
    4    HA   MET   0           HA       MET   0  34.992  -2.322   0.441
    5   1HB   MET   0          HB2       MET   0  33.155  -4.336  -0.867
    6   2HB   MET   0          HB1       MET   0  34.350  -3.326  -1.666
    7   1HG   MET   0          HG2       MET   0  36.144  -4.502  -0.563
    8   2HG   MET   0          HG1       MET   0  34.984  -5.460   0.357
    9   1HE   MET   0          HE1       MET   0  37.311  -6.878  -1.272
   10   2HE   MET   0          HE2       MET   0  36.389  -8.197  -1.992
   11   3HE   MET   0          HE3       MET   0  36.065  -7.698  -0.332
   12    H    ASN   1           HN       ASN   1  33.476  -1.587  -1.696
   13    HA   ASN   1           HA       ASN   1  31.208  -0.197  -0.430
   14   1HB   ASN   1          HB2       ASN   1  33.372   0.731  -2.186
   15   2HB   ASN   1          HB1       ASN   1  31.769   1.275  -2.674
   16   1HD2  ASN   1          HD21      ASN   1  30.724   1.281   0.015
   17   2HD2  ASN   1          HD22      ASN   1  31.405   2.655   0.808
   18    H    CYS   2           HN       CYS   2  29.274   0.022  -1.560
   19    HA   CYS   2           HA       CYS   2  28.875  -1.992  -3.643
   20   1HB   CYS   2          HB2       CYS   2  26.996  -0.508  -1.814
   21   2HB   CYS   2          HB1       CYS   2  26.406  -1.399  -3.213
   22    H    GLY   3           HN       GLY   3  27.214  -1.367  -5.354
   23   1HA   GLY   3          HA2       GLY   3  28.199   0.882  -6.791
   24   2HA   GLY   3          HA1       GLY   3  26.810  -0.099  -7.242
   25    HA   PRO   4           HA       PRO   4  25.927   4.404  -5.439
   26   1HB   PRO   4          HB2       PRO   4  24.952   4.550  -8.267
   27   2HB   PRO   4          HB1       PRO   4  25.596   5.832  -7.235
   28   1HG   PRO   4          HG2       PRO   4  27.128   4.724  -9.104
   29   2HG   PRO   4          HG1       PRO   4  27.797   5.131  -7.513
   30   1HD   PRO   4          HD2       PRO   4  27.095   2.471  -8.646
   31   2HD   PRO   4          HD1       PRO   4  28.364   2.907  -7.484
   32    HA   PRO   5           HA       PRO   5  22.067   2.549  -4.209
   33   1HB   PRO   5          HB2       PRO   5  21.416   5.463  -3.968
   34   2HB   PRO   5          HB1       PRO   5  21.073   4.139  -2.847
   35   1HG   PRO   5          HG2       PRO   5  23.108   5.774  -2.386
   36   2HG   PRO   5          HG1       PRO   5  23.275   4.032  -2.098
   37   1HD   PRO   5          HD2       PRO   5  24.378   5.704  -4.299
   38   2HD   PRO   5          HD1       PRO   5  25.049   4.245  -3.544
   39    HA   PRO   6           HA       PRO   6  20.132   3.037  -8.312
   40   1HB   PRO   6          HB2       PRO   6  18.590   0.786  -7.978
   41   2HB   PRO   6          HB1       PRO   6  20.232   0.767  -8.630
   42   1HG   PRO   6          HG2       PRO   6  19.258   0.148  -5.873
   43   2HG   PRO   6          HG1       PRO   6  20.526  -0.650  -6.824
   44   1HD   PRO   6          HD2       PRO   6  21.097   1.086  -4.844
   45   2HD   PRO   6          HD1       PRO   6  22.105   0.943  -6.298
   46    H    THR   7           HN       THR   7  17.704   2.360  -8.768
   47    HA   THR   7           HA       THR   7  16.066   4.061  -7.022
   48    HB   THR   7           HB       THR   7  15.529   3.139  -9.855
   49    HG1  THR   7           HG1      THR   7  16.827   4.747 -10.307
   50   1HG2  THR   7          HG21      THR   7  14.060   5.081  -8.069
   51   2HG2  THR   7          HG22      THR   7  13.460   3.536  -8.672
   52   3HG2  THR   7          HG23      THR   7  13.749   4.867  -9.792
   53    H    LEU   8           HN       LEU   8  14.407   3.161  -5.875
   54    HA   LEU   8           HA       LEU   8  13.834   0.325  -6.401
   55   1HB   LEU   8          HB2       LEU   8  13.279   1.815  -3.847
   56   2HB   LEU   8          HB1       LEU   8  13.255   0.081  -4.103
   57    HG   LEU   8           HG       LEU   8  15.668   1.884  -4.026
   58   1HD1  LEU   8          HD11      LEU   8  14.768  -0.421  -2.307
   59   2HD1  LEU   8          HD12      LEU   8  14.814   1.281  -1.849
   60   3HD1  LEU   8          HD13      LEU   8  16.315   0.411  -2.160
   61   1HD2  LEU   8          HD21      LEU   8  15.986   0.278  -5.802
   62   2HD2  LEU   8          HD22      LEU   8  15.515  -1.040  -4.728
   63   3HD2  LEU   8          HD23      LEU   8  17.000  -0.137  -4.421
   64    H    SER   9           HN       SER   9  11.977   0.052  -7.506
   65    HA   SER   9           HA       SER   9   9.936   1.993  -7.631
   66   1HB   SER   9          HB2       SER   9   9.821  -0.961  -8.301
   67   2HB   SER   9          HB1       SER   9   8.628   0.243  -8.785
   68    HG   SER   9           HG       SER   9   9.893   0.827 -10.351
   69    H    PHE  10           HN       PHE  10  10.509  -0.765  -5.570
   70    HA   PHE  10           HA       PHE  10   7.884  -0.751  -4.413
   71   1HB   PHE  10          HB2       PHE  10   9.296  -2.149  -2.606
   72   2HB   PHE  10          HB1       PHE  10   8.704  -2.847  -4.106
   73    HD1  PHE  10           HD1      PHE  10  10.174  -3.655  -5.743
   74    HD2  PHE  10           HD2      PHE  10  11.673  -1.388  -2.469
   75    HE1  PHE  10           HE1      PHE  10  12.470  -4.276  -6.370
   76    HE2  PHE  10           HE2      PHE  10  13.972  -2.003  -3.092
   77    HZ   PHE  10           HZ       PHE  10  14.371  -3.450  -5.042
   78    H    ALA  11           HN       ALA  11  10.517   1.276  -4.108
   79    HA   ALA  11           HA       ALA  11   9.360   2.452  -1.698
   80   1HB   ALA  11          HB1       ALA  11  11.555   2.645  -0.619
   81   2HB   ALA  11          HB2       ALA  11  12.268   1.692  -1.922
   82   3HB   ALA  11          HB3       ALA  11  11.074   0.963  -0.849
   83    H    ALA  12           HN       ALA  12  11.500   4.192  -1.245
   84    HA   ALA  12           HA       ALA  12  12.205   5.712  -3.477
   85   1HB   ALA  12          HB1       ALA  12   9.827   6.232  -3.644
   86   2HB   ALA  12          HB2       ALA  12  10.750   7.669  -3.207
   87   3HB   ALA  12          HB3       ALA  12   9.823   6.808  -1.977
   88    HA   PRO  13           HA       PRO  13  15.190   7.114  -0.544
   89   1HB   PRO  13          HB2       PRO  13  14.848   9.710  -1.992
   90   2HB   PRO  13          HB1       PRO  13  16.332   8.856  -1.552
   91   1HG   PRO  13          HG2       PRO  13  15.417   8.770  -4.049
   92   2HG   PRO  13          HG1       PRO  13  16.122   7.328  -3.293
   93   1HD   PRO  13          HD2       PRO  13  13.271   7.971  -3.864
   94   2HD   PRO  13          HD1       PRO  13  14.093   6.398  -3.841
   95    H    MET  14           HN       MET  14  15.266   8.198   1.375
   96    HA   MET  14           HA       MET  14  13.284  10.243   1.972
   97   1HB   MET  14          HB2       MET  14  12.183   8.088   2.506
   98   2HB   MET  14          HB1       MET  14  13.496   7.714   3.615
   99   1HG   MET  14          HG2       MET  14  11.598   8.509   4.848
  100   2HG   MET  14          HG1       MET  14  12.903   9.689   4.951
  101   1HE   MET  14          HE1       MET  14   9.796  10.207   5.671
  102   2HE   MET  14          HE2       MET  14   9.572  11.820   4.995
  103   3HE   MET  14          HE3       MET  14  11.049  11.431   5.879
  104    H    ASP  15           HN       ASP  15  16.269   8.714   2.464
  105    HA   ASP  15           HA       ASP  15  17.142  10.896   4.175
  106   1HB   ASP  15          HB2       ASP  15  16.421   9.003   5.681
  107   2HB   ASP  15          HB1       ASP  15  17.704   8.031   4.963
  108    H    ILE  16           HN       ILE  16  19.337   8.406   4.385
  109    HA   ILE  16           HA       ILE  16  21.477   8.303   3.596
  110    HB   ILE  16           HB       ILE  16  20.631   6.625   2.219
  111   1HG1  ILE  16          HG12      ILE  16  21.937   8.610   0.360
  112   2HG1  ILE  16          HG11      ILE  16  22.783   7.496   1.429
  113   1HG2  ILE  16          HG21      ILE  16  18.534   7.754   1.604
  114   2HG2  ILE  16          HG22      ILE  16  19.293   6.941   0.237
  115   3HG2  ILE  16          HG23      ILE  16  19.418   8.692   0.402
  116   1HD1  ILE  16          HD11      ILE  16  22.713   6.772  -0.933
  117   2HD1  ILE  16          HD12      ILE  16  20.959   6.643  -0.802
  118   3HD1  ILE  16          HD13      ILE  16  21.995   5.613   0.185
  119    H    THR  17           HN       THR  17  22.280  10.360   3.960
  120    HA   THR  17           HA       THR  17  21.943  12.614   2.408
  121    HB   THR  17           HB       THR  17  24.251  13.287   3.056
  122    HG1  THR  17           HG1      THR  17  25.365  11.371   3.087
  123   1HG2  THR  17          HG21      THR  17  22.316  13.608   4.581
  124   2HG2  THR  17          HG22      THR  17  23.842  13.397   5.439
  125   3HG2  THR  17          HG23      THR  17  22.695  12.061   5.337
  126    H    LEU  18           HN       LEU  18  22.170  12.882   0.288
  127    HA   LEU  18           HA       LEU  18  23.593  10.992  -1.294
  128   1HB   LEU  18          HB2       LEU  18  21.875  13.356  -1.781
  129   2HB   LEU  18          HB1       LEU  18  22.994  12.926  -3.055
  130    HG   LEU  18           HG       LEU  18  20.880  11.911  -3.539
  131   1HD1  LEU  18          HD11      LEU  18  21.489   9.472  -3.426
  132   2HD1  LEU  18          HD12      LEU  18  22.927   9.958  -2.524
  133   3HD1  LEU  18          HD13      LEU  18  22.688  10.526  -4.177
  134   1HD2  LEU  18          HD21      LEU  18  19.872  11.945  -1.354
  135   2HD2  LEU  18          HD22      LEU  18  21.030  10.755  -0.762
  136   3HD2  LEU  18          HD23      LEU  18  19.840  10.297  -1.981
  137    H    THR  19           HN       THR  19  25.293  12.319   0.523
  138    HA   THR  19           HA       THR  19  26.822  14.249  -1.032
  139    HB   THR  19           HB       THR  19  28.097  14.645   0.966
  140    HG1  THR  19           HG1      THR  19  28.415  12.935   2.180
  141   1HG2  THR  19          HG21      THR  19  26.277  15.204   2.584
  142   2HG2  THR  19          HG22      THR  19  25.150  14.324   1.548
  143   3HG2  THR  19          HG23      THR  19  25.969  15.765   0.941
  144    H    GLU  20           HN       GLU  20  26.618  11.017  -0.973
  145    HA   GLU  20           HA       GLU  20  29.356  10.691  -1.916
  146   1HB   GLU  20          HB2       GLU  20  28.147   9.202   0.397
  147   2HB   GLU  20          HB1       GLU  20  29.403   8.466  -0.589
  148   1HG   GLU  20          HG2       GLU  20  29.705  11.113   0.806
  149   2HG   GLU  20          HG1       GLU  20  30.209   9.569   1.495
  150    H    THR  21           HN       THR  21  29.635   8.944  -3.343
  151    HA   THR  21           HA       THR  21  27.125   7.948  -4.488
  152    HB   THR  21           HB       THR  21  29.775   7.506  -5.799
  153    HG1  THR  21           HG1      THR  21  29.442   9.814  -5.051
  154   1HG2  THR  21          HG21      THR  21  27.809   6.549  -6.837
  155   2HG2  THR  21          HG22      THR  21  28.403   7.879  -7.832
  156   3HG2  THR  21          HG23      THR  21  26.992   8.111  -6.801
  157    H    ARG  22           HN       ARG  22  29.576   7.014  -2.448
  158    HA   ARG  22           HA       ARG  22  29.074   4.153  -2.950
  159   1HB   ARG  22          HB2       ARG  22  31.610   5.443  -1.940
  160   2HB   ARG  22          HB1       ARG  22  31.332   3.712  -2.053
  161   1HG   ARG  22          HG2       ARG  22  31.136   3.889  -4.475
  162   2HG   ARG  22          HG1       ARG  22  31.390   5.632  -4.371
  163   1HD   ARG  22          HD2       ARG  22  33.606   5.274  -3.439
  164   2HD   ARG  22          HD1       ARG  22  33.354   3.530  -3.466
  165    HE   ARG  22           HE       ARG  22  32.990   4.515  -6.059
  166   1HH1  ARG  22          HH11      ARG  22  35.525   4.108  -3.704
  167   2HH1  ARG  22          HH12      ARG  22  36.778   3.944  -4.889
  168   1HH2  ARG  22          HH21      ARG  22  34.633   4.296  -7.628
  169   2HH2  ARG  22          HH22      ARG  22  36.271   4.050  -7.119
  170    H    PHE  23           HN       PHE  23  29.051   2.816  -1.024
  171    HA   PHE  23           HA       PHE  23  28.961   4.138   1.555
  172   1HB   PHE  23          HB2       PHE  23  26.538   2.675   0.471
  173   2HB   PHE  23          HB1       PHE  23  26.701   3.360   2.086
  174    HD1  PHE  23           HD1      PHE  23  26.282   5.644   2.497
  175    HD2  PHE  23           HD2      PHE  23  26.463   4.190  -1.496
  176    HE1  PHE  23           HE1      PHE  23  25.404   7.791   1.677
  177    HE2  PHE  23           HE2      PHE  23  25.599   6.331  -2.325
  178    HZ   PHE  23           HZ       PHE  23  25.058   8.139  -0.737
  179    H    LYS  24           HN       LYS  24  30.242   2.872   2.714
  180    HA   LYS  24           HA       LYS  24  31.149   0.374   2.103
  181   1HB   LYS  24          HB2       LYS  24  31.531   0.143   4.649
  182   2HB   LYS  24          HB1       LYS  24  32.343   1.434   3.778
  183   1HG   LYS  24          HG2       LYS  24  30.635   3.017   4.531
  184   2HG   LYS  24          HG1       LYS  24  29.817   1.714   5.398
  185   1HD   LYS  24          HD2       LYS  24  31.851   1.386   6.759
  186   2HD   LYS  24          HD1       LYS  24  32.598   2.754   5.932
  187   1HE   LYS  24          HE2       LYS  24  31.658   3.387   8.113
  188   2HE   LYS  24          HE1       LYS  24  30.888   4.244   6.777
  189   1HZ   LYS  24          HZ1       LYS  24  29.036   2.709   6.893
  190   2HZ   LYS  24          HZ2       LYS  24  29.272   3.448   8.396
  191   3HZ   LYS  24          HZ3       LYS  24  29.778   1.854   8.149
  192    H    THR  25           HN       THR  25  30.894  -1.662   3.341
  193    HA   THR  25           HA       THR  25  28.267  -2.635   3.014
  194    HB   THR  25           HB       THR  25  29.309  -4.604   4.379
  195    HG1  THR  25           HG1      THR  25  31.604  -3.174   3.496
  196   1HG2  THR  25          HG21      THR  25  28.719  -4.632   1.974
  197   2HG2  THR  25          HG22      THR  25  30.193  -5.538   2.311
  198   3HG2  THR  25          HG23      THR  25  30.292  -3.924   1.607
  199    H    GLY  26           HN       GLY  26  29.405  -0.745   5.424
  200   1HA   GLY  26          HA2       GLY  26  27.826  -2.087   7.519
  201   2HA   GLY  26          HA1       GLY  26  29.045  -0.852   7.803
  202    H    THR  27           HN       THR  27  27.707   0.412   5.293
  203    HA   THR  27           HA       THR  27  26.229   2.386   6.670
  204    HB   THR  27           HB       THR  27  27.364   2.550   4.358
  205    HG1  THR  27           HG1      THR  27  24.803   3.669   4.221
  206   1HG2  THR  27          HG21      THR  27  26.190   1.921   2.457
  207   2HG2  THR  27          HG22      THR  27  24.648   1.844   3.311
  208   3HG2  THR  27          HG23      THR  27  25.856   0.580   3.553
  209    H    THR  28           HN       THR  28  23.939   2.994   5.924
  210    HA   THR  28           HA       THR  28  22.153   0.899   5.177
  211    HB   THR  28           HB       THR  28  21.973   1.869   8.043
  212    HG1  THR  28           HG1      THR  28  23.195   0.198   8.439
  213   1HG2  THR  28          HG21      THR  28  20.282  -0.140   6.550
  214   2HG2  THR  28          HG22      THR  28  19.784   1.496   6.979
  215   3HG2  THR  28          HG23      THR  28  20.111   0.313   8.246
  216    H    LEU  29           HN       LEU  29  20.526   1.825   4.118
  217    HA   LEU  29           HA       LEU  29  20.125   4.702   4.458
  218   1HB   LEU  29          HB2       LEU  29  18.735   3.185   2.315
  219   2HB   LEU  29          HB1       LEU  29  19.402   4.803   2.285
  220    HG   LEU  29           HG       LEU  29  20.896   2.201   2.000
  221   1HD1  LEU  29          HD11      LEU  29  19.833   2.925  -0.026
  222   2HD1  LEU  29          HD12      LEU  29  21.567   3.219  -0.158
  223   3HD1  LEU  29          HD13      LEU  29  20.469   4.558   0.174
  224   1HD2  LEU  29          HD21      LEU  29  22.176   3.722   3.422
  225   2HD2  LEU  29          HD22      LEU  29  22.043   4.978   2.191
  226   3HD2  LEU  29          HD23      LEU  29  22.935   3.496   1.847
  227    H    LYS  30           HN       LYS  30  17.847   5.507   4.175
  228    HA   LYS  30           HA       LYS  30  16.122   4.078   6.013
  229   1HB   LYS  30          HB2       LYS  30  16.465   6.561   6.139
  230   2HB   LYS  30          HB1       LYS  30  15.605   6.703   4.611
  231   1HG   LYS  30          HG2       LYS  30  14.125   7.198   6.450
  232   2HG   LYS  30          HG1       LYS  30  13.616   5.709   5.649
  233   1HD   LYS  30          HD2       LYS  30  14.740   4.401   7.399
  234   2HD   LYS  30          HD1       LYS  30  15.209   5.899   8.206
  235   1HE   LYS  30          HE2       LYS  30  13.238   4.923   9.255
  236   2HE   LYS  30          HE1       LYS  30  12.859   6.478   8.515
  237   1HZ   LYS  30          HZ1       LYS  30  11.908   5.319   6.628
  238   2HZ   LYS  30          HZ2       LYS  30  11.153   4.824   8.058
  239   3HZ   LYS  30          HZ3       LYS  30  12.293   3.821   7.313
  240    H    TYR  31           HN       TYR  31  15.236   5.834   3.072
  241    HA   TYR  31           HA       TYR  31  13.894   5.328   1.322
  242   1HB   TYR  31          HB2       TYR  31  15.209   2.765   1.967
  243   2HB   TYR  31          HB1       TYR  31  13.740   2.639   0.999
  244    HD1  TYR  31           HD1      TYR  31  13.661   3.527  -1.258
  245    HD2  TYR  31           HD2      TYR  31  17.194   3.865   1.089
  246    HE1  TYR  31           HE1      TYR  31  14.937   4.118  -3.275
  247    HE2  TYR  31           HE2      TYR  31  18.480   4.459  -0.922
  248    HH   TYR  31           HH       TYR  31  18.322   4.161  -3.364
  249    H    THR  32           HN       THR  32  11.768   5.220   1.030
  250    HA   THR  32           HA       THR  32  10.105   3.730   2.946
  251    HB   THR  32           HB       THR  32   9.921   5.960   3.735
  252    HG1  THR  32           HG1      THR  32   7.867   4.733   2.713
  253   1HG2  THR  32          HG21      THR  32   9.195   7.771   2.016
  254   2HG2  THR  32          HG22      THR  32   9.894   6.670   0.825
  255   3HG2  THR  32          HG23      THR  32  10.896   7.317   2.126
  256    H    CYS  33           HN       CYS  33   8.123   2.944   2.063
  257    HA   CYS  33           HA       CYS  33   8.206   2.800  -0.846
  258   1HB   CYS  33          HB2       CYS  33   6.431   1.010  -0.513
  259   2HB   CYS  33          HB1       CYS  33   8.048   0.656   0.079
  260    H    LEU  34           HN       LEU  34   6.962   3.684  -2.117
  261    HA   LEU  34           HA       LEU  34   5.427   5.841  -1.877
  262   1HB   LEU  34          HB2       LEU  34   4.782   3.582  -3.768
  263   2HB   LEU  34          HB1       LEU  34   4.314   5.260  -3.972
  264    HG   LEU  34           HG       LEU  34   7.173   4.275  -3.907
  265   1HD1  LEU  34          HD11      LEU  34   7.178   4.668  -6.313
  266   2HD1  LEU  34          HD12      LEU  34   5.465   5.083  -6.259
  267   3HD1  LEU  34          HD13      LEU  34   5.987   3.442  -5.876
  268   1HD2  LEU  34          HD21      LEU  34   7.684   6.516  -4.774
  269   2HD2  LEU  34          HD22      LEU  34   6.956   6.571  -3.168
  270   3HD2  LEU  34          HD23      LEU  34   5.987   6.962  -4.588
  271    HA   PRO  35           HA       PRO  35   1.542   5.102   0.037
  272   1HB   PRO  35          HB2       PRO  35  -0.246   6.434  -1.514
  273   2HB   PRO  35          HB1       PRO  35   0.908   7.248  -0.452
  274   1HG   PRO  35          HG2       PRO  35   1.054   6.770  -3.403
  275   2HG   PRO  35          HG1       PRO  35   1.471   8.227  -2.484
  276   1HD   PRO  35          HD2       PRO  35   3.340   6.479  -3.374
  277   2HD   PRO  35          HD1       PRO  35   3.535   7.406  -1.872
  278    H    GLY  36           HN       GLY  36   0.920   3.000  -0.018
  279   1HA   GLY  36          HA2       GLY  36  -1.275   2.026  -1.118
  280   2HA   GLY  36          HA1       GLY  36  -0.205   1.944  -2.503
  281    H    TYR  37           HN       TYR  37   1.775   1.384   0.052
  282    HA   TYR  37           HA       TYR  37   1.653  -1.493  -0.401
  283   1HB   TYR  37          HB2       TYR  37   3.610   0.128   1.249
  284   2HB   TYR  37          HB1       TYR  37   3.747  -1.589   0.891
  285    HD1  TYR  37           HD1      TYR  37   4.993  -2.276  -0.950
  286    HD2  TYR  37           HD2      TYR  37   3.543   1.715  -0.811
  287    HE1  TYR  37           HE1      TYR  37   6.295  -1.739  -2.966
  288    HE2  TYR  37           HE2      TYR  37   4.843   2.267  -2.817
  289    HH   TYR  37           HH       TYR  37   6.813   1.450  -4.018
  290    H    VAL  38           HN       VAL  38   1.550  -3.000   1.398
  291    HA   VAL  38           HA       VAL  38   0.506  -1.993   3.927
  292    HB   VAL  38           HB       VAL  38  -1.407  -3.481   3.895
  293   1HG1  VAL  38          HG11      VAL  38  -1.480  -1.174   2.765
  294   2HG1  VAL  38          HG12      VAL  38  -2.797  -2.300   2.435
  295   3HG1  VAL  38          HG13      VAL  38  -1.514  -2.074   1.245
  296   1HG2  VAL  38          HG21      VAL  38  -0.669  -4.212   1.070
  297   2HG2  VAL  38          HG22      VAL  38  -1.988  -4.867   2.042
  298   3HG2  VAL  38          HG23      VAL  38  -0.314  -5.221   2.472
  299    H    ARG  39           HN       ARG  39  -0.363  -4.807   4.423
  300    HA   ARG  39           HA       ARG  39   1.588  -5.813   5.942
  301   1HB   ARG  39          HB2       ARG  39  -0.667  -7.014   4.506
  302   2HB   ARG  39          HB1       ARG  39   0.583  -8.148   4.996
  303   1HG   ARG  39          HG2       ARG  39  -0.792  -6.216   6.853
  304   2HG   ARG  39          HG1       ARG  39  -1.241  -7.911   6.645
  305   1HD   ARG  39          HD2       ARG  39   1.015  -8.579   7.357
  306   2HD   ARG  39          HD1       ARG  39   1.426  -6.883   7.606
  307    HE   ARG  39           HE       ARG  39  -0.813  -7.315   9.130
  308   1HH1  ARG  39          HH11      ARG  39   2.391  -8.669   8.940
  309   2HH1  ARG  39          HH12      ARG  39   2.460  -9.076  10.622
  310   1HH2  ARG  39          HH21      ARG  39  -0.732  -7.846  11.349
  311   2HH2  ARG  39          HH22      ARG  39   0.686  -8.607  11.992
  312    H    SER  40           HN       SER  40   3.661  -5.985   5.510
  313    HA   SER  40           HA       SER  40   4.777  -8.094   4.135
  314   1HB   SER  40          HB2       SER  40   4.028  -7.015   2.068
  315   2HB   SER  40          HB1       SER  40   4.876  -5.536   2.519
  316    HG   SER  40           HG       SER  40   6.393  -7.855   2.498
  317    H    HIS  41           HN       HIS  41   4.954  -5.068   5.673
  318    HA   HIS  41           HA       HIS  41   7.586  -4.320   5.628
  319   1HB   HIS  41          HB2       HIS  41   5.990  -4.351   8.182
  320   2HB   HIS  41          HB1       HIS  41   7.239  -3.212   7.700
  321    HD1  HIS  41           HD1      HIS  41   6.529  -1.193   6.367
  322    HD2  HIS  41           HD2      HIS  41   3.480  -3.977   6.833
  323    HE1  HIS  41           HE1      HIS  41   4.447  -0.057   5.529
  324    HE2  HIS  41           HE2      HIS  41   2.632  -1.793   5.740
  325    H    SER  42           HN       SER  42   9.427  -4.756   6.852
  326    HA   SER  42           HA       SER  42   9.609  -6.693   8.876
  327   1HB   SER  42          HB2       SER  42   9.099  -8.305   7.120
  328   2HB   SER  42          HB1       SER  42  10.399  -7.660   6.118
  329    HG   SER  42           HG       SER  42  11.303  -8.344   8.574
  330    H    THR  43           HN       THR  43  10.896  -4.434   6.741
  331    HA   THR  43           HA       THR  43  13.264  -4.125   8.337
  332    HB   THR  43           HB       THR  43  13.700  -4.779   5.424
  333    HG1  THR  43           HG1      THR  43  14.092  -6.385   7.748
  334   1HG2  THR  43          HG21      THR  43  16.052  -4.823   6.032
  335   2HG2  THR  43          HG22      THR  43  15.647  -4.471   7.711
  336   3HG2  THR  43          HG23      THR  43  15.348  -3.265   6.462
  337    H    GLN  44           HN       GLN  44  13.211  -3.290   4.961
  338    HA   GLN  44           HA       GLN  44  12.817  -1.359   3.814
  339   1HB   GLN  44          HB2       GLN  44  10.862  -1.011   5.347
  340   2HB   GLN  44          HB1       GLN  44  11.929  -0.116   6.421
  341   1HG   GLN  44          HG2       GLN  44  12.379   1.473   4.584
  342   2HG   GLN  44          HG1       GLN  44  11.205   0.609   3.592
  343   1HE2  GLN  44          HE21      GLN  44   9.015   0.731   4.113
  344   2HE2  GLN  44          HE22      GLN  44   8.389   1.965   5.146
  345    H    THR  45           HN       THR  45  15.289  -1.915   4.275
  346    HA   THR  45           HA       THR  45  16.549   0.650   4.662
  347    HB   THR  45           HB       THR  45  18.291  -0.286   6.223
  348    HG1  THR  45           HG1      THR  45  18.122  -2.303   6.802
  349   1HG2  THR  45          HG21      THR  45  16.569   1.229   7.049
  350   2HG2  THR  45          HG22      THR  45  16.937  -0.004   8.255
  351   3HG2  THR  45          HG23      THR  45  15.468  -0.129   7.287
  352    H    LEU  46           HN       LEU  46  18.477   0.825   3.537
  353    HA   LEU  46           HA       LEU  46  19.161  -1.518   1.893
  354   1HB   LEU  46          HB2       LEU  46  19.030   1.371   1.309
  355   2HB   LEU  46          HB1       LEU  46  20.393   0.520   0.610
  356    HG   LEU  46           HG       LEU  46  18.886  -1.012  -0.543
  357   1HD1  LEU  46          HD11      LEU  46  16.677   0.582   0.746
  358   2HD1  LEU  46          HD12      LEU  46  17.090  -1.101   1.080
  359   3HD1  LEU  46          HD13      LEU  46  16.462  -0.644  -0.503
  360   1HD2  LEU  46          HD21      LEU  46  18.118   0.457  -2.207
  361   2HD2  LEU  46          HD22      LEU  46  19.505   1.274  -1.484
  362   3HD2  LEU  46          HD23      LEU  46  17.869   1.767  -1.051
  363    H    THR  47           HN       THR  47  20.790  -2.572   2.768
  364    HA   THR  47           HA       THR  47  23.069  -1.054   3.869
  365    HB   THR  47           HB       THR  47  22.507  -3.987   4.330
  366    HG1  THR  47           HG1      THR  47  20.853  -3.242   5.457
  367   1HG2  THR  47          HG21      THR  47  23.992  -3.740   6.211
  368   2HG2  THR  47          HG22      THR  47  24.114  -2.003   5.938
  369   3HG2  THR  47          HG23      THR  47  24.796  -3.128   4.765
  370    H    CYS  48           HN       CYS  48  25.207  -1.667   3.232
  371    HA   CYS  48           HA       CYS  48  25.265  -2.845   0.597
  372   1HB   CYS  48          HB2       CYS  48  26.654  -0.857   1.026
  373   2HB   CYS  48          HB1       CYS  48  27.499  -1.708   2.306
  374    H    ASN  49           HN       ASN  49  25.392  -4.959   0.363
  375    HA   ASN  49           HA       ASN  49  26.559  -6.574   2.499
  376   1HB   ASN  49          HB2       ASN  49  25.568  -8.492   1.169
  377   2HB   ASN  49          HB1       ASN  49  24.399  -7.343   1.818
  378   1HD2  ASN  49          HD21      ASN  49  23.388  -5.888   0.415
  379   2HD2  ASN  49          HD22      ASN  49  23.314  -6.181  -1.287
  380    H    SER  50           HN       SER  50  27.672  -8.685   1.458
  381    HA   SER  50           HA       SER  50  29.885  -7.614  -0.113
  382   1HB   SER  50          HB2       SER  50  30.435  -8.928   1.888
  383   2HB   SER  50          HB1       SER  50  29.560 -10.312   1.234
  384    HG   SER  50           HG       SER  50  31.744 -10.555   0.795
  385    H    ASP  51           HN       ASP  51  28.022  -7.513  -1.800
  386    HA   ASP  51           HA       ASP  51  28.409  -9.722  -3.699
  387   1HB   ASP  51          HB2       ASP  51  26.230  -9.977  -2.310
  388   2HB   ASP  51          HB1       ASP  51  25.674  -8.586  -3.239
  389    H    GLY  52           HN       GLY  52  28.686  -6.593  -3.006
  390   1HA   GLY  52          HA2       GLY  52  28.945  -4.709  -4.273
  391   2HA   GLY  52          HA1       GLY  52  28.882  -5.745  -5.689
  392    H    GLU  53           HN       GLU  53  26.257  -6.061  -3.665
  393    HA   GLU  53           HA       GLU  53  24.664  -4.063  -5.131
  394   1HB   GLU  53          HB2       GLU  53  22.983  -5.580  -5.655
  395   2HB   GLU  53          HB1       GLU  53  24.442  -6.527  -5.903
  396   1HG   GLU  53          HG2       GLU  53  24.154  -7.553  -3.703
  397   2HG   GLU  53          HG1       GLU  53  22.694  -6.599  -3.455
  398    H    TRP  54           HN       TRP  54  22.394  -3.926  -4.104
  399    HA   TRP  54           HA       TRP  54  22.733  -3.546  -1.230
  400   1HB   TRP  54          HB2       TRP  54  20.750  -2.454  -3.233
  401   2HB   TRP  54          HB1       TRP  54  20.677  -2.143  -1.506
  402    HD1  TRP  54           HD1      TRP  54  22.281  -0.916  -4.648
  403    HE1  TRP  54           HE1      TRP  54  23.915   0.998  -4.105
  404    HE3  TRP  54           HE3      TRP  54  22.427  -1.410   0.416
  405    HZ2  TRP  54           HZ2      TRP  54  25.113   2.148  -1.817
  406    HZ3  TRP  54           HZ3      TRP  54  23.840   0.130   1.723
  407    HH2  TRP  54           HH2      TRP  54  25.155   1.871   0.625
  408    H    VAL  55           HN       VAL  55  21.926  -5.001   0.071
  409    HA   VAL  55           HA       VAL  55  19.851  -6.856  -0.876
  410    HB   VAL  55           HB       VAL  55  22.161  -7.078   0.977
  411   1HG1  VAL  55          HG11      VAL  55  20.330  -7.281   2.552
  412   2HG1  VAL  55          HG12      VAL  55  21.125  -8.837   2.315
  413   3HG1  VAL  55          HG13      VAL  55  19.573  -8.511   1.540
  414   1HG2  VAL  55          HG21      VAL  55  22.310  -9.291   0.100
  415   2HG2  VAL  55          HG22      VAL  55  21.983  -8.199  -1.247
  416   3HG2  VAL  55          HG23      VAL  55  20.685  -9.189  -0.579
  417    H    TYR  56           HN       TYR  56  17.953  -7.095   0.407
  418    HA   TYR  56           HA       TYR  56  17.653  -5.976   2.928
  419   1HB   TYR  56          HB2       TYR  56  16.203  -3.955   2.279
  420   2HB   TYR  56          HB1       TYR  56  17.946  -3.798   2.080
  421    HD1  TYR  56           HD1      TYR  56  14.783  -4.416   0.255
  422    HD2  TYR  56           HD2      TYR  56  18.895  -3.374  -0.049
  423    HE1  TYR  56           HE1      TYR  56  14.453  -3.831  -2.109
  424    HE2  TYR  56           HE2      TYR  56  18.577  -2.782  -2.415
  425    HH   TYR  56           HH       TYR  56  17.045  -3.292  -4.248
  426    H    ASN  57           HN       ASN  57  16.559  -7.807   0.549
  427    HA   ASN  57           HA       ASN  57  14.656  -8.954   0.047
  428   1HB   ASN  57          HB2       ASN  57  13.998  -8.302   2.929
  429   2HB   ASN  57          HB1       ASN  57  13.213  -9.542   1.955
  430   1HD2  ASN  57          HD21      ASN  57  14.303 -11.433   1.483
  431   2HD2  ASN  57          HD22      ASN  57  15.742 -11.904   2.314
  432    H    THR  58           HN       THR  58  12.120  -8.821   0.185
  433    HA   THR  58           HA       THR  58  11.432  -6.154  -0.724
  434    HB   THR  58           HB       THR  58   9.253  -8.127  -0.506
  435    HG1  THR  58           HG1      THR  58  10.498  -8.924  -2.648
  436   1HG2  THR  58          HG21      THR  58   8.898  -7.396  -2.848
  437   2HG2  THR  58          HG22      THR  58  10.365  -6.418  -2.739
  438   3HG2  THR  58          HG23      THR  58   8.976  -6.045  -1.716
  439    H    PHE  59           HN       PHE  59  11.550  -4.967   1.176
  440    HA   PHE  59           HA       PHE  59  10.355  -5.643   3.604
  441   1HB   PHE  59          HB2       PHE  59  10.471  -3.083   3.983
  442   2HB   PHE  59          HB1       PHE  59  11.965  -3.991   3.762
  443    HD1  PHE  59           HD1      PHE  59   9.561  -1.754   2.065
  444    HD2  PHE  59           HD2      PHE  59  13.419  -3.545   1.983
  445    HE1  PHE  59           HE1      PHE  59  10.210  -0.264   0.219
  446    HE2  PHE  59           HE2      PHE  59  14.074  -2.060   0.136
  447    HZ   PHE  59           HZ       PHE  59  12.470  -0.418  -0.749
  448    H    CYS  60           HN       CYS  60   9.042  -3.610   0.964
  449    HA   CYS  60           HA       CYS  60   6.482  -3.653   2.400
  450   1HB   CYS  60          HB2       CYS  60   7.440  -1.858   0.167
  451   2HB   CYS  60          HB1       CYS  60   5.810  -1.825   0.836
  452    H    ILE  61           HN       ILE  61   4.623  -3.354   0.425
  453    HA   ILE  61           HA       ILE  61   5.048  -5.666  -1.340
  454    HB   ILE  61           HB       ILE  61   3.880  -6.657   0.419
  455   1HG1  ILE  61          HG12      ILE  61   1.518  -5.898  -1.249
  456   2HG1  ILE  61          HG11      ILE  61   2.840  -6.799  -1.985
  457   1HG2  ILE  61          HG21      ILE  61   3.264  -4.697   1.663
  458   2HG2  ILE  61          HG22      ILE  61   1.831  -5.694   1.411
  459   3HG2  ILE  61          HG23      ILE  61   2.080  -4.243   0.439
  460   1HD1  ILE  61          HD11      ILE  61   0.887  -8.128  -1.037
  461   2HD1  ILE  61          HD12      ILE  61   1.523  -7.699   0.555
  462   3HD1  ILE  61          HD13      ILE  61   2.509  -8.636  -0.569
  463    H    TYR  62           HN       TYR  62   2.440  -3.407  -0.585
  464    HA   TYR  62           HA       TYR  62   1.369  -1.850  -1.875
  465   1HB   TYR  62          HB2       TYR  62   3.598  -1.954  -3.315
  466   2HB   TYR  62          HB1       TYR  62   2.540  -2.787  -4.450
  467    HD1  TYR  62           HD1      TYR  62   3.976  -0.047  -4.698
  468    HD2  TYR  62           HD2      TYR  62   0.011  -1.158  -3.643
  469    HE1  TYR  62           HE1      TYR  62   3.177   2.147  -5.450
  470    HE2  TYR  62           HE2      TYR  62  -0.813   1.031  -4.400
  471    HH   TYR  62           HH       TYR  62   0.439   3.473  -4.617
  472    H    LYS  63           HN       LYS  63  -0.633  -2.541  -1.737
  473    HA   LYS  63           HA       LYS  63  -1.839  -3.857  -3.935
  474   1HB   LYS  63          HB2       LYS  63  -2.750  -5.797  -2.661
  475   2HB   LYS  63          HB1       LYS  63  -1.026  -5.893  -2.981
  476   1HG   LYS  63          HG2       LYS  63  -0.515  -5.313  -0.710
  477   2HG   LYS  63          HG1       LYS  63  -2.218  -4.989  -0.369
  478   1HD   LYS  63          HD2       LYS  63  -2.768  -7.313  -0.737
  479   2HD   LYS  63          HD1       LYS  63  -1.114  -7.671  -1.205
  480   1HE   LYS  63          HE2       LYS  63  -0.581  -6.717   1.185
  481   2HE   LYS  63          HE1       LYS  63  -2.270  -7.119   1.484
  482   1HZ   LYS  63          HZ1       LYS  63  -0.162  -8.997   0.567
  483   2HZ   LYS  63          HZ2       LYS  63  -1.794  -9.396   0.764
  484   3HZ   LYS  63          HZ3       LYS  63  -0.866  -8.952   2.106
  485    H    ARG  64           HN       ARG  64  -3.102  -2.017  -3.915
  486    HA   ARG  64           HA       ARG  64  -4.574  -1.224  -1.593
  487   1HB   ARG  64          HB2       ARG  64  -5.762   0.231  -3.410
  488   2HB   ARG  64          HB1       ARG  64  -4.102   0.584  -2.953
  489   1HG   ARG  64          HG2       ARG  64  -3.907  -1.262  -5.032
  490   2HG   ARG  64          HG1       ARG  64  -5.183  -0.140  -5.515
  491   1HD   ARG  64          HD2       ARG  64  -2.448   0.679  -4.544
  492   2HD   ARG  64          HD1       ARG  64  -2.915   0.559  -6.241
  493    HE   ARG  64           HE       ARG  64  -4.690   2.245  -4.795
  494   1HH1  ARG  64          HH11      ARG  64  -1.532   2.141  -6.265
  495   2HH1  ARG  64          HH12      ARG  64  -1.462   3.849  -6.538
  496   1HH2  ARG  64          HH21      ARG  64  -4.606   4.496  -5.153
  497   2HH2  ARG  64          HH22      ARG  64  -3.209   5.188  -5.907
  498    H    CYS  65           HN       CYS  65  -6.850  -0.762  -3.813
  499    HA   CYS  65           HA       CYS  65  -8.004  -3.394  -4.005
  500   1HB   CYS  65          HB2       CYS  65  -9.835  -1.541  -2.604
  501   2HB   CYS  65          HB1       CYS  65  -9.652  -3.282  -2.434
  502    H    ARG  66           HN       ARG  66  -9.627  -3.472  -5.577
  503    HA   ARG  66           HA       ARG  66  -9.696  -1.246  -7.331
  504   1HB   ARG  66          HB2       ARG  66  -9.901  -3.495  -8.241
  505   2HB   ARG  66          HB1       ARG  66 -11.362  -3.777  -7.304
  506   1HG   ARG  66          HG2       ARG  66 -11.829  -3.329  -9.670
  507   2HG   ARG  66          HG1       ARG  66 -12.561  -2.131  -8.601
  508   1HD   ARG  66          HD2       ARG  66 -10.763  -0.568  -9.081
  509   2HD   ARG  66          HD1       ARG  66  -9.963  -1.771 -10.093
  510    HE   ARG  66           HE       ARG  66 -12.570  -1.347 -11.049
  511   1HH1  ARG  66          HH11      ARG  66  -9.497   0.282 -10.820
  512   2HH1  ARG  66          HH12      ARG  66  -9.756   1.242 -12.238
  513   1HH2  ARG  66          HH21      ARG  66 -12.917  -0.085 -12.918
  514   2HH2  ARG  66          HH22      ARG  66 -11.697   1.033 -13.430
  515    H    HIS  67           HN       HIS  67 -11.349   0.181  -7.764
  516    HA   HIS  67           HA       HIS  67 -12.767   1.227  -5.664
  517   1HB   HIS  67          HB2       HIS  67 -12.346   2.323  -7.878
  518   2HB   HIS  67          HB1       HIS  67 -13.651   1.351  -8.551
  519    HD1  HIS  67           HD1      HIS  67 -15.956   2.286  -8.350
  520    HD2  HIS  67           HD2      HIS  67 -13.259   4.156  -5.804
  521    HE1  HIS  67           HE1      HIS  67 -17.215   4.212  -7.336
  522    HE2  HIS  67           HE2      HIS  67 -15.527   5.397  -5.889
  523    HA   PRO  68           HA       PRO  68 -16.045  -1.695  -4.685
  524   1HB   PRO  68          HB2       PRO  68 -17.754   0.282  -3.760
  525   2HB   PRO  68          HB1       PRO  68 -16.573  -0.600  -2.794
  526   1HG   PRO  68          HG2       PRO  68 -16.379   2.112  -4.011
  527   2HG   PRO  68          HG1       PRO  68 -15.751   1.526  -2.460
  528   1HD   PRO  68          HD2       PRO  68 -14.123   1.887  -4.544
  529   2HD   PRO  68          HD1       PRO  68 -13.907   0.505  -3.449
  530    H    GLY  69           HN       GLY  69 -16.550   1.326  -6.417
  531   1HA   GLY  69          HA2       GLY  69 -17.650   1.232  -8.595
  532   2HA   GLY  69          HA1       GLY  69 -18.754   0.045  -7.907
  533    H    GLU  70           HN       GLU  70 -20.054   1.899  -9.047
  534    HA   GLU  70           HA       GLU  70 -20.562   4.157  -7.305
  535   1HB   GLU  70          HB2       GLU  70 -20.589   4.484  -9.757
  536   2HB   GLU  70          HB1       GLU  70 -21.915   3.337  -9.885
  537   1HG   GLU  70          HG2       GLU  70 -23.346   4.813  -8.597
  538   2HG   GLU  70          HG1       GLU  70 -22.015   5.952  -8.398
  539    H    LEU  71           HN       LEU  71 -22.013   4.353  -5.865
  540    HA   LEU  71           HA       LEU  71 -24.071   2.268  -5.653
  541   1HB   LEU  71          HB2       LEU  71 -22.550   2.300  -3.744
  542   2HB   LEU  71          HB1       LEU  71 -22.816   4.019  -3.525
  543    HG   LEU  71           HG       LEU  71 -25.165   3.546  -2.989
  544   1HD1  LEU  71          HD11      LEU  71 -24.301   0.680  -3.210
  545   2HD1  LEU  71          HD12      LEU  71 -25.550   1.501  -4.152
  546   3HD1  LEU  71          HD13      LEU  71 -25.793   1.207  -2.426
  547   1HD2  LEU  71          HD21      LEU  71 -23.307   1.977  -1.233
  548   2HD2  LEU  71          HD22      LEU  71 -24.798   2.800  -0.766
  549   3HD2  LEU  71          HD23      LEU  71 -23.388   3.738  -1.256
  550    H    ARG  72           HN       ARG  72 -25.747   3.039  -6.661
  551    HA   ARG  72           HA       ARG  72 -26.248   5.812  -7.067
  552   1HB   ARG  72          HB2       ARG  72 -26.990   4.169  -8.717
  553   2HB   ARG  72          HB1       ARG  72 -28.036   3.419  -7.517
  554   1HG   ARG  72          HG2       ARG  72 -29.487   5.293  -7.478
  555   2HG   ARG  72          HG1       ARG  72 -28.365   6.265  -8.433
  556   1HD   ARG  72          HD2       ARG  72 -29.664   3.741  -9.436
  557   2HD   ARG  72          HD1       ARG  72 -30.329   5.352  -9.700
  558    HE   ARG  72           HE       ARG  72 -27.617   5.168 -10.554
  559   1HH1  ARG  72          HH11      ARG  72 -30.893   4.403 -11.461
  560   2HH1  ARG  72          HH12      ARG  72 -30.568   4.439 -13.161
  561   1HH2  ARG  72          HH21      ARG  72 -27.181   5.224 -12.793
  562   2HH2  ARG  72          HH22      ARG  72 -28.458   4.908 -13.918
  563    H    ASN  73           HN       ASN  73 -28.822   3.906  -6.008
  564    HA   ASN  73           HA       ASN  73 -29.921   5.738  -4.324
  565   1HB   ASN  73          HB2       ASN  73 -30.195   2.739  -3.916
  566   2HB   ASN  73          HB1       ASN  73 -31.299   3.962  -3.292
  567   1HD2  ASN  73          HD21      ASN  73 -30.202   2.252  -6.106
  568   2HD2  ASN  73          HD22      ASN  73 -31.499   2.720  -7.146
  569    H    GLY  74           HN       GLY  74 -26.918   4.688  -3.850
  570   1HA   GLY  74          HA2       GLY  74 -27.174   5.275  -1.008
  571   2HA   GLY  74          HA1       GLY  74 -26.219   3.906  -1.542
  572    H    GLN  75           HN       GLN  75 -24.610   5.233  -0.204
  573    HA   GLN  75           HA       GLN  75 -23.117   6.940  -2.074
  574   1HB   GLN  75          HB2       GLN  75 -23.648   7.524   0.841
  575   2HB   GLN  75          HB1       GLN  75 -22.446   8.370  -0.125
  576   1HG   GLN  75          HG2       GLN  75 -24.211   9.149  -1.630
  577   2HG   GLN  75          HG1       GLN  75 -25.411   8.316  -0.642
  578   1HE2  GLN  75          HE21      GLN  75 -25.951   9.136   1.368
  579   2HE2  GLN  75          HE22      GLN  75 -25.533  10.739   1.856
  580    H    VAL  76           HN       VAL  76 -20.958   6.557  -2.167
  581    HA   VAL  76           HA       VAL  76 -19.917   4.479  -0.357
  582    HB   VAL  76           HB       VAL  76 -18.643   5.306  -2.957
  583   1HG1  VAL  76          HG11      VAL  76 -18.444   2.810  -1.273
  584   2HG1  VAL  76          HG12      VAL  76 -17.233   4.087  -1.385
  585   3HG1  VAL  76          HG13      VAL  76 -17.601   3.094  -2.796
  586   1HG2  VAL  76          HG21      VAL  76 -20.678   3.126  -2.506
  587   2HG2  VAL  76          HG22      VAL  76 -19.739   3.357  -3.981
  588   3HG2  VAL  76          HG23      VAL  76 -20.900   4.584  -3.474
  589    H    GLU  77           HN       GLU  77 -18.857   5.373   1.308
  590    HA   GLU  77           HA       GLU  77 -17.554   7.904   1.144
  591   1HB   GLU  77          HB2       GLU  77 -18.442   7.250   3.264
  592   2HB   GLU  77          HB1       GLU  77 -17.542   5.741   3.246
  593   1HG   GLU  77          HG2       GLU  77 -15.495   6.836   3.645
  594   2HG   GLU  77          HG1       GLU  77 -16.186   8.419   3.301
  595    H    ILE  78           HN       ILE  78 -16.134   7.594  -0.644
  596    HA   ILE  78           HA       ILE  78 -13.805   5.882  -0.102
  597    HB   ILE  78           HB       ILE  78 -14.794   7.091  -2.686
  598   1HG1  ILE  78          HG12      ILE  78 -15.982   5.077  -1.925
  599   2HG1  ILE  78          HG11      ILE  78 -15.049   4.759  -3.383
  600   1HG2  ILE  78          HG21      ILE  78 -12.363   7.202  -2.632
  601   2HG2  ILE  78          HG22      ILE  78 -12.907   5.978  -3.780
  602   3HG2  ILE  78          HG23      ILE  78 -12.282   5.494  -2.203
  603   1HD1  ILE  78          HD11      ILE  78 -13.296   3.725  -2.004
  604   2HD1  ILE  78          HD12      ILE  78 -14.853   2.912  -1.855
  605   3HD1  ILE  78          HD13      ILE  78 -14.296   3.990  -0.575
  606    H    LYS  79           HN       LYS  79 -11.761   6.728  -0.018
  607    HA   LYS  79           HA       LYS  79 -11.155   9.418  -0.736
  608   1HB   LYS  79          HB2       LYS  79 -10.713  10.285   1.508
  609   2HB   LYS  79          HB1       LYS  79 -12.409   9.873   1.321
  610   1HG   LYS  79          HG2       LYS  79 -10.343   8.184   2.718
  611   2HG   LYS  79          HG1       LYS  79 -11.521   9.230   3.510
  612   1HD   LYS  79          HD2       LYS  79 -13.299   7.858   2.286
  613   2HD   LYS  79          HD1       LYS  79 -12.003   6.702   1.956
  614   1HE   LYS  79          HE2       LYS  79 -11.568   6.580   4.395
  615   2HE   LYS  79          HE1       LYS  79 -12.966   7.616   4.662
  616   1HZ   LYS  79          HZ1       LYS  79 -13.028   4.952   3.351
  617   2HZ   LYS  79          HZ2       LYS  79 -14.368   5.942   3.644
  618   3HZ   LYS  79          HZ3       LYS  79 -13.511   5.275   4.940
  619    H    THR  80           HN       THR  80 -10.288   6.670   1.298
  620    HA   THR  80           HA       THR  80  -7.503   7.245   1.286
  621    HB   THR  80           HB       THR  80  -7.224   5.199   2.466
  622    HG1  THR  80           HG1      THR  80  -9.494   4.477   1.061
  623   1HG2  THR  80          HG21      THR  80  -8.186   6.781   3.904
  624   2HG2  THR  80          HG22      THR  80  -9.192   5.349   4.125
  625   3HG2  THR  80          HG23      THR  80  -9.759   6.681   3.111
  626    H    ASP  81           HN       ASP  81  -9.213   6.549  -1.311
  627    HA   ASP  81           HA       ASP  81  -8.703   5.675  -3.381
  628   1HB   ASP  81          HB2       ASP  81  -5.963   5.504  -2.146
  629   2HB   ASP  81          HB1       ASP  81  -6.304   5.274  -3.859
  630    H    LEU  82           HN       LEU  82  -8.937   3.940  -0.739
  631    HA   LEU  82           HA       LEU  82  -9.219   1.742  -0.241
  632   1HB   LEU  82          HB2       LEU  82  -9.022   1.467  -3.236
  633   2HB   LEU  82          HB1       LEU  82  -9.440   0.147  -2.165
  634    HG   LEU  82           HG       LEU  82 -11.493   0.876  -3.012
  635   1HD1  LEU  82          HD11      LEU  82 -12.660   1.938  -1.129
  636   2HD1  LEU  82          HD12      LEU  82 -11.101   2.305  -0.390
  637   3HD1  LEU  82          HD13      LEU  82 -11.599   0.628  -0.611
  638   1HD2  LEU  82          HD21      LEU  82 -10.733   3.733  -2.438
  639   2HD2  LEU  82          HD22      LEU  82 -12.174   3.154  -3.277
  640   3HD2  LEU  82          HD23      LEU  82 -10.584   2.959  -4.017
  641    H    SER  83           HN       SER  83  -6.805   2.564   0.360
  642    HA   SER  83           HA       SER  83  -4.761   1.032  -0.987
  643   1HB   SER  83          HB2       SER  83  -3.223   2.053   0.646
  644   2HB   SER  83          HB1       SER  83  -4.229   3.262  -0.152
  645    HG   SER  83           HG       SER  83  -4.489   2.222   2.467
  646    H    PHE  84           HN       PHE  84  -6.788  -0.601   0.162
  647    HA   PHE  84           HA       PHE  84  -7.083  -2.477   1.410
  648   1HB   PHE  84          HB2       PHE  84  -5.080  -3.215   0.226
  649   2HB   PHE  84          HB1       PHE  84  -4.060  -2.454   1.442
  650    HD1  PHE  84           HD1      PHE  84  -6.293  -5.264   0.723
  651    HD2  PHE  84           HD2      PHE  84  -3.732  -3.461   3.603
  652    HE1  PHE  84           HE1      PHE  84  -6.311  -7.344   2.035
  653    HE2  PHE  84           HE2      PHE  84  -3.745  -5.539   4.921
  654    HZ   PHE  84           HZ       PHE  84  -5.037  -7.484   4.137
  655    H    GLY  85           HN       GLY  85  -7.568  -2.978   3.510
  656   1HA   GLY  85          HA2       GLY  85  -7.320  -3.005   5.822
  657   2HA   GLY  85          HA1       GLY  85  -5.929  -1.941   5.665
  658    H    SER  86           HN       SER  86  -9.114  -1.375   4.251
  659    HA   SER  86           HA       SER  86  -9.567   0.718   6.239
  660   1HB   SER  86          HB2       SER  86 -10.309   2.270   4.410
  661   2HB   SER  86          HB1       SER  86  -8.575   1.932   4.433
  662    HG   SER  86           HG       SER  86 -10.017   0.174   2.903
  663    H    GLN  87           HN       GLN  87 -11.648   1.606   6.259
  664    HA   GLN  87           HA       GLN  87 -13.726  -0.316   5.447
  665   1HB   GLN  87          HB2       GLN  87 -13.786  -0.503   7.752
  666   2HB   GLN  87          HB1       GLN  87 -13.283   1.159   8.008
  667   1HG   GLN  87          HG2       GLN  87 -15.955   0.674   6.810
  668   2HG   GLN  87          HG1       GLN  87 -15.731   0.356   8.530
  669   1HE2  GLN  87          HE21      GLN  87 -15.920   2.751   6.062
  670   2HE2  GLN  87          HE22      GLN  87 -15.890   4.134   7.094
  671    H    ILE  88           HN       ILE  88 -15.396   0.479   4.277
  672    HA   ILE  88           HA       ILE  88 -15.594   3.407   4.011
  673    HB   ILE  88           HB       ILE  88 -16.362   3.012   1.649
  674   1HG1  ILE  88          HG12      ILE  88 -15.022   0.323   1.955
  675   2HG1  ILE  88          HG11      ILE  88 -16.769   0.531   2.046
  676   1HG2  ILE  88          HG21      ILE  88 -14.126   3.851   2.216
  677   2HG2  ILE  88          HG22      ILE  88 -14.110   2.861   0.756
  678   3HG2  ILE  88          HG23      ILE  88 -13.529   2.192   2.282
  679   1HD1  ILE  88          HD11      ILE  88 -16.805   1.391  -0.219
  680   2HD1  ILE  88          HD12      ILE  88 -16.045  -0.200  -0.164
  681   3HD1  ILE  88          HD13      ILE  88 -15.050   1.248  -0.315
  682    H    GLU  89           HN       GLU  89 -17.351   3.837   5.212
  683    HA   GLU  89           HA       GLU  89 -19.609   2.104   5.325
  684   1HB   GLU  89          HB2       GLU  89 -18.818   4.697   6.513
  685   2HB   GLU  89          HB1       GLU  89 -20.543   4.400   6.378
  686   1HG   GLU  89          HG2       GLU  89 -20.297   2.327   7.629
  687   2HG   GLU  89          HG1       GLU  89 -18.558   2.599   7.746
  688    H    PHE  90           HN       PHE  90 -21.410   2.099   4.168
  689    HA   PHE  90           HA       PHE  90 -21.648   4.004   1.964
  690   1HB   PHE  90          HB2       PHE  90 -23.255   1.493   2.465
  691   2HB   PHE  90          HB1       PHE  90 -23.164   2.414   0.968
  692    HD1  PHE  90           HD1      PHE  90 -21.317   0.173   3.229
  693    HD2  PHE  90           HD2      PHE  90 -21.365   2.109  -0.566
  694    HE1  PHE  90           HE1      PHE  90 -19.448  -1.238   2.485
  695    HE2  PHE  90           HE2      PHE  90 -19.495   0.699  -1.313
  696    HZ   PHE  90           HZ       PHE  90 -18.534  -0.976   0.216
  697    H    SER  91           HN       SER  91 -23.629   5.109   1.539
  698    HA   SER  91           HA       SER  91 -25.532   5.176   3.775
  699   1HB   SER  91          HB2       SER  91 -24.385   7.593   2.365
  700   2HB   SER  91          HB1       SER  91 -25.671   7.630   3.571
  701    HG   SER  91           HG       SER  91 -23.570   8.051   4.445
  702    H    CYS  92           HN       CYS  92 -27.434   4.591   3.055
  703    HA   CYS  92           HA       CYS  92 -28.094   4.850   0.231
  704   1HB   CYS  92          HB2       CYS  92 -29.618   3.659   2.558
  705   2HB   CYS  92          HB1       CYS  92 -30.265   3.764   0.924
  706    H    SER  93           HN       SER  93 -29.085   6.534  -0.619
  707    HA   SER  93           HA       SER  93 -29.557   8.905   0.671
  708   1HB   SER  93          HB2       SER  93 -31.116   9.425  -1.273
  709   2HB   SER  93          HB1       SER  93 -29.474   8.930  -1.696
  710    HG   SER  93           HG       SER  93 -31.591   7.069  -1.534
  711    H    GLU  94           HN       GLU  94 -31.652  10.089   0.835
  712    HA   GLU  94           HA       GLU  94 -33.219   9.181   2.867
  713   1HB   GLU  94          HB2       GLU  94 -33.424  11.449   2.374
  714   2HB   GLU  94          HB1       GLU  94 -33.711  11.156   0.665
  715   1HG   GLU  94          HG2       GLU  94 -35.932  10.328   1.153
  716   2HG   GLU  94          HG1       GLU  94 -35.653  10.548   2.881
  717    H    GLY  95           HN       GLY  95 -35.338   8.350   3.033
  718   1HA   GLY  95          HA2       GLY  95 -37.119   6.996   2.487
  719   2HA   GLY  95          HA1       GLY  95 -36.761   7.303   0.796
  720    H    PHE  96           HN       PHE  96 -33.977   6.256   1.083
  721    HA   PHE  96           HA       PHE  96 -34.707   3.401   1.100
  722   1HB   PHE  96          HB2       PHE  96 -32.358   4.538  -0.408
  723   2HB   PHE  96          HB1       PHE  96 -33.179   3.000  -0.652
  724    HD1  PHE  96           HD1      PHE  96 -32.983   6.439  -1.611
  725    HD2  PHE  96           HD2      PHE  96 -35.512   3.018  -1.617
  726    HE1  PHE  96           HE1      PHE  96 -34.352   7.461  -3.383
  727    HE2  PHE  96           HE2      PHE  96 -36.885   4.032  -3.389
  728    HZ   PHE  96           HZ       PHE  96 -36.306   6.256  -4.275
  729    H    PHE  97           HN       PHE  97 -33.734   2.211   2.632
  730    HA   PHE  97           HA       PHE  97 -31.513   3.434   4.085
  731   1HB   PHE  97          HB2       PHE  97 -31.988   1.915   5.885
  732   2HB   PHE  97          HB1       PHE  97 -33.494   2.656   5.368
  733    HD1  PHE  97           HD1      PHE  97 -31.754  -0.400   5.962
  734    HD2  PHE  97           HD2      PHE  97 -35.029   1.322   3.856
  735    HE1  PHE  97           HE1      PHE  97 -32.789  -2.625   5.752
  736    HE2  PHE  97           HE2      PHE  97 -36.061  -0.899   3.633
  737    HZ   PHE  97           HZ       PHE  97 -34.944  -2.875   4.585
  738    H    LEU  98           HN       LEU  98 -29.895   1.919   4.973
  739    HA   LEU  98           HA       LEU  98 -28.669   0.524   2.752
  740   1HB   LEU  98          HB2       LEU  98 -27.407   2.093   4.145
  741   2HB   LEU  98          HB1       LEU  98 -27.650   1.053   5.535
  742    HG   LEU  98           HG       LEU  98 -26.136  -0.532   4.786
  743   1HD1  LEU  98          HD11      LEU  98 -25.325  -0.645   2.442
  744   2HD1  LEU  98          HD12      LEU  98 -26.515   0.587   2.017
  745   3HD1  LEU  98          HD13      LEU  98 -27.047  -0.982   2.620
  746   1HD2  LEU  98          HD21      LEU  98 -24.990   1.535   5.333
  747   2HD2  LEU  98          HD22      LEU  98 -25.148   2.074   3.660
  748   3HD2  LEU  98          HD23      LEU  98 -24.143   0.676   4.046
  749    H    ILE  99           HN       ILE  99 -28.266  -1.573   2.579
  750    HA   ILE  99           HA       ILE  99 -28.553  -3.467   4.750
  751    HB   ILE  99           HB       ILE  99 -30.064  -4.411   2.455
  752   1HG1  ILE  99          HG12      ILE  99 -31.410  -2.250   4.041
  753   2HG1  ILE  99          HG11      ILE  99 -30.586  -1.903   2.529
  754   1HG2  ILE  99          HG21      ILE  99 -31.663  -5.055   4.217
  755   2HG2  ILE  99          HG22      ILE  99 -30.697  -4.160   5.390
  756   3HG2  ILE  99          HG23      ILE  99 -30.013  -5.565   4.574
  757   1HD1  ILE  99          HD11      ILE  99 -32.944  -2.169   2.143
  758   2HD1  ILE  99          HD12      ILE  99 -32.918  -3.763   2.896
  759   3HD1  ILE  99          HD13      ILE  99 -32.060  -3.490   1.380
  760    H    GLY 100           HN       GLY 100 -26.665  -4.350   4.481
  761   1HA   GLY 100          HA2       GLY 100 -25.819  -6.275   2.924
  762   2HA   GLY 100          HA1       GLY 100 -25.613  -4.924   1.818
  763    H    SER 101           HN       SER 101 -25.130  -4.993   5.284
  764    HA   SER 101           HA       SER 101 -23.322  -4.604   6.608
  765   1HB   SER 101          HB2       SER 101 -22.273  -6.454   5.277
  766   2HB   SER 101          HB1       SER 101 -21.639  -5.237   4.170
  767    HG   SER 101           HG       SER 101 -20.823  -5.909   6.721
  768    H    THR 102           HN       THR 102 -23.429  -2.476   7.072
  769    HA   THR 102           HA       THR 102 -23.107  -0.419   5.154
  770    HB   THR 102           HB       THR 102 -23.192   1.140   6.992
  771    HG1  THR 102           HG1      THR 102 -23.348  -0.327   9.151
  772   1HG2  THR 102          HG21      THR 102 -24.967  -1.208   7.667
  773   2HG2  THR 102          HG22      THR 102 -25.290  -0.046   6.381
  774   3HG2  THR 102          HG23      THR 102 -25.257   0.487   8.062
  775    H    THR 103           HN       THR 103 -20.877  -2.436   6.521
  776    HA   THR 103           HA       THR 103 -18.735  -0.458   6.142
  777    HB   THR 103           HB       THR 103 -17.351  -1.798   7.601
  778    HG1  THR 103           HG1      THR 103 -18.405  -3.841   7.136
  779   1HG2  THR 103          HG21      THR 103 -18.668  -1.526   9.732
  780   2HG2  THR 103          HG22      THR 103 -20.038  -1.060   8.722
  781   3HG2  THR 103          HG23      THR 103 -18.566  -0.090   8.712
  782    H    SER 104           HN       SER 104 -16.798  -1.221   5.046
  783    HA   SER 104           HA       SER 104 -17.004  -3.796   3.721
  784   1HB   SER 104          HB2       SER 104 -18.010  -1.867   2.279
  785   2HB   SER 104          HB1       SER 104 -16.330  -1.376   2.066
  786    HG   SER 104           HG       SER 104 -16.578  -2.755   0.445
  787    H    ARG 105           HN       ARG 105 -15.164  -4.734   4.218
  788    HA   ARG 105           HA       ARG 105 -12.756  -3.108   4.666
  789   1HB   ARG 105          HB2       ARG 105 -13.250  -6.018   5.336
  790   2HB   ARG 105          HB1       ARG 105 -11.856  -5.059   5.818
  791   1HG   ARG 105          HG2       ARG 105 -13.346  -3.598   7.126
  792   2HG   ARG 105          HG1       ARG 105 -14.709  -4.629   6.685
  793   1HD   ARG 105          HD2       ARG 105 -12.265  -5.480   8.235
  794   2HD   ARG 105          HD1       ARG 105 -13.868  -5.183   8.906
  795    HE   ARG 105           HE       ARG 105 -14.036  -7.118   6.865
  796   1HH1  ARG 105          HH11      ARG 105 -12.877  -6.714  10.129
  797   2HH1  ARG 105          HH12      ARG 105 -13.080  -8.384  10.543
  798   1HH2  ARG 105          HH21      ARG 105 -14.306  -9.316   7.406
  799   2HH2  ARG 105          HH22      ARG 105 -13.893  -9.863   8.996
  800    H    CYS 106           HN       CYS 106 -10.764  -3.671   3.741
  801    HA   CYS 106           HA       CYS 106 -11.022  -4.924   1.110
  802   1HB   CYS 106          HB2       CYS 106 -10.104  -2.651   1.184
  803   2HB   CYS 106          HB1       CYS 106  -8.825  -3.196   2.264
  804    H    GLU 107           HN       GLU 107 -10.393  -6.952   0.891
  805    HA   GLU 107           HA       GLU 107  -8.320  -7.984   2.703
  806   1HB   GLU 107          HB2       GLU 107 -10.626  -8.836   3.119
  807   2HB   GLU 107          HB1       GLU 107 -10.628  -9.516   1.496
  808   1HG   GLU 107          HG2       GLU 107  -8.795 -10.982   2.065
  809   2HG   GLU 107          HG1       GLU 107  -8.697 -10.269   3.676
  810    H    VAL 108           HN       VAL 108  -7.287 -10.002   1.782
  811    HA   VAL 108           HA       VAL 108  -7.008  -9.869  -1.139
  812    HB   VAL 108           HB       VAL 108  -4.743  -9.610   0.820
  813   1HG1  VAL 108          HG11      VAL 108  -4.648 -11.228  -1.426
  814   2HG1  VAL 108          HG12      VAL 108  -3.266 -10.536  -0.578
  815   3HG1  VAL 108          HG13      VAL 108  -3.954  -9.701  -1.973
  816   1HG2  VAL 108          HG21      VAL 108  -4.202  -7.634  -0.430
  817   2HG2  VAL 108          HG22      VAL 108  -5.910  -7.570   0.009
  818   3HG2  VAL 108          HG23      VAL 108  -5.436  -8.005  -1.635
  819    H    GLN 109           HN       GLN 109  -6.952 -11.735  -2.109
  820    HA   GLN 109           HA       GLN 109  -5.910 -14.103  -0.739
  821   1HB   GLN 109          HB2       GLN 109  -7.935 -15.399  -1.382
  822   2HB   GLN 109          HB1       GLN 109  -8.253 -14.142  -0.194
  823   1HG   GLN 109          HG2       GLN 109  -9.030 -12.679  -2.054
  824   2HG   GLN 109          HG1       GLN 109  -8.871 -14.062  -3.136
  825   1HE2  GLN 109          HE21      GLN 109 -10.711 -12.608  -0.592
  826   2HE2  GLN 109          HE22      GLN 109 -12.038 -13.714  -0.637
  827    H    ASP 110           HN       ASP 110  -4.596 -12.840  -2.769
  828    HA   ASP 110           HA       ASP 110  -4.163 -14.889  -4.611
  829   1HB   ASP 110          HB2       ASP 110  -6.338 -14.220  -5.543
  830   2HB   ASP 110          HB1       ASP 110  -5.744 -12.575  -5.746
  831    H    ARG 111           HN       ARG 111  -4.261 -11.668  -5.859
  832    HA   ARG 111           HA       ARG 111  -1.737 -10.794  -4.958
  833   1HB   ARG 111          HB2       ARG 111  -0.421 -11.046  -6.951
  834   2HB   ARG 111          HB1       ARG 111  -1.046 -12.628  -6.506
  835   1HG   ARG 111          HG2       ARG 111  -2.768 -12.454  -8.206
  836   2HG   ARG 111          HG1       ARG 111  -2.195 -10.842  -8.638
  837   1HD   ARG 111          HD2       ARG 111  -1.346 -12.486 -10.208
  838   2HD   ARG 111          HD1       ARG 111  -0.024 -11.795  -9.269
  839    HE   ARG 111           HE       ARG 111  -0.962 -14.170  -8.052
  840   1HH1  ARG 111          HH11      ARG 111   0.894 -13.039 -10.777
  841   2HH1  ARG 111          HH12      ARG 111   1.848 -14.481 -10.888
  842   1HH2  ARG 111          HH21      ARG 111   0.290 -16.071  -8.192
  843   2HH2  ARG 111          HH22      ARG 111   1.505 -16.204  -9.420
  844    H    GLY 112           HN       GLY 112  -4.676 -10.301  -6.097
  845   1HA   GLY 112          HA2       GLY 112  -4.019  -7.588  -7.024
  846   2HA   GLY 112          HA1       GLY 112  -5.181  -8.567  -7.907
  847    H    VAL 113           HN       VAL 113  -5.043  -8.891  -4.504
  848    HA   VAL 113           HA       VAL 113  -6.461  -8.344  -2.805
  849    HB   VAL 113           HB       VAL 113  -7.541  -5.985  -4.248
  850   1HG1  VAL 113          HG11      VAL 113  -8.114  -6.585  -1.892
  851   2HG1  VAL 113          HG12      VAL 113  -7.422  -4.974  -2.093
  852   3HG1  VAL 113          HG13      VAL 113  -6.424  -6.290  -1.473
  853   1HG2  VAL 113          HG21      VAL 113  -5.484  -4.712  -3.739
  854   2HG2  VAL 113          HG22      VAL 113  -5.196  -5.987  -4.922
  855   3HG2  VAL 113          HG23      VAL 113  -4.698  -6.214  -3.245
  856    H    GLY 114           HN       GLY 114  -8.586  -8.625  -2.131
  857   1HA   GLY 114          HA2       GLY 114 -10.476  -9.128  -4.318
  858   2HA   GLY 114          HA1       GLY 114 -10.162 -10.394  -3.158
  859    H    TRP 115           HN       TRP 115 -11.618  -7.181  -3.532
  860    HA   TRP 115           HA       TRP 115 -12.627  -6.616  -1.126
  861   1HB   TRP 115          HB2       TRP 115 -13.766  -6.346  -3.848
  862   2HB   TRP 115          HB1       TRP 115 -14.892  -6.153  -2.513
  863    HD1  TRP 115           HD1      TRP 115 -12.571  -4.201  -4.564
  864    HE1  TRP 115           HE1      TRP 115 -12.114  -1.903  -3.491
  865    HE3  TRP 115           HE3      TRP 115 -14.456  -5.080   0.107
  866    HZ2  TRP 115           HZ2      TRP 115 -12.490  -0.638  -1.009
  867    HZ3  TRP 115           HZ3      TRP 115 -14.364  -3.271   1.771
  868    HH2  TRP 115           HH2      TRP 115 -13.402  -1.097   1.225
  869    H    SER 116           HN       SER 116 -14.124  -7.302   0.306
  870    HA   SER 116           HA       SER 116 -15.007 -10.019   0.116
  871   1HB   SER 116          HB2       SER 116 -14.332  -9.025   2.270
  872   2HB   SER 116          HB1       SER 116 -15.683  -7.896   2.172
  873    HG   SER 116           HG       SER 116 -15.750 -10.699   2.515
  874    H    HIS 117           HN       HIS 117 -16.576  -6.839   0.063
  875    HA   HIS 117           HA       HIS 117 -18.618  -7.611  -1.711
  876   1HB   HIS 117          HB2       HIS 117 -19.410  -8.848   0.312
  877   2HB   HIS 117          HB1       HIS 117 -19.549  -7.306   1.150
  878    HD1  HIS 117           HD1      HIS 117 -21.750  -6.180   0.978
  879    HD2  HIS 117           HD2      HIS 117 -21.179  -8.957  -2.060
  880    HE1  HIS 117           HE1      HIS 117 -23.926  -6.257  -0.280
  881    HE2  HIS 117           HE2      HIS 117 -23.521  -7.866  -2.175
  882    HA   PRO 118           HA       PRO 118 -18.450  -3.124  -1.463
  883   1HB   PRO 118          HB2       PRO 118 -18.970  -2.859  -4.196
  884   2HB   PRO 118          HB1       PRO 118 -17.374  -2.968  -3.453
  885   1HG   PRO 118          HG2       PRO 118 -18.578  -4.861  -5.175
  886   2HG   PRO 118          HG1       PRO 118 -17.078  -5.062  -4.254
  887   1HD   PRO 118          HD2       PRO 118 -19.829  -6.005  -3.624
  888   2HD   PRO 118          HD1       PRO 118 -18.261  -6.746  -3.230
  889    H    LEU 119           HN       LEU 119 -19.925  -1.612  -3.246
  890    HA   LEU 119           HA       LEU 119 -22.060  -0.618  -2.412
  891   1HB   LEU 119          HB2       LEU 119 -22.657  -1.980  -4.990
  892   2HB   LEU 119          HB1       LEU 119 -22.932  -0.322  -4.501
  893    HG   LEU 119           HG       LEU 119 -20.241  -1.493  -5.184
  894   1HD1  LEU 119          HD11      LEU 119 -21.655  -1.294  -7.141
  895   2HD1  LEU 119          HD12      LEU 119 -20.372  -0.084  -7.169
  896   3HD1  LEU 119          HD13      LEU 119 -22.013   0.381  -6.725
  897   1HD2  LEU 119          HD21      LEU 119 -20.070   0.261  -3.523
  898   2HD2  LEU 119          HD22      LEU 119 -21.072   1.323  -4.515
  899   3HD2  LEU 119          HD23      LEU 119 -19.476   0.833  -5.084
  900    HA   PRO 120           HA       PRO 120 -24.492  -4.118  -0.796
  901   1HB   PRO 120          HB2       PRO 120 -25.782  -1.982   0.755
  902   2HB   PRO 120          HB1       PRO 120 -24.945  -3.429   1.324
  903   1HG   PRO 120          HG2       PRO 120 -23.894  -0.969   1.617
  904   2HG   PRO 120          HG1       PRO 120 -22.882  -2.395   1.325
  905   1HD   PRO 120          HD2       PRO 120 -23.769  -0.273  -0.596
  906   2HD   PRO 120          HD1       PRO 120 -22.180  -1.051  -0.433
  907    H    GLN 121           HN       GLN 121 -27.129  -3.416   0.050
  908    HA   GLN 121           HA       GLN 121 -28.327  -2.722  -2.543
  909   1HB   GLN 121          HB2       GLN 121 -28.873  -4.833  -0.572
  910   2HB   GLN 121          HB1       GLN 121 -30.302  -4.020  -1.186
  911   1HG   GLN 121          HG2       GLN 121 -29.551  -4.521  -3.485
  912   2HG   GLN 121          HG1       GLN 121 -28.189  -5.414  -2.813
  913   1HE2  GLN 121          HE21      GLN 121 -28.556  -7.380  -1.781
  914   2HE2  GLN 121          HE22      GLN 121 -30.031  -8.256  -1.976
  915    H    CYS 122           HN       CYS 122 -29.206  -0.746  -2.572
  916    HA   CYS 122           HA       CYS 122 -30.220   0.362  -0.057
  917   1HB   CYS 122          HB2       CYS 122 -29.583   1.597  -2.732
  918   2HB   CYS 122          HB1       CYS 122 -30.494   2.464  -1.502
  919    H    GLU 123           HN       GLU 123 -32.290  -0.072   0.402
  920    HA   GLU 123           HA       GLU 123 -34.248  -0.077  -1.802
  921   1HB   GLU 123          HB2       GLU 123 -33.857  -2.382  -1.120
  922   2HB   GLU 123          HB1       GLU 123 -34.113  -1.953   0.566
  923   1HG   GLU 123          HG2       GLU 123 -36.433  -1.413   0.097
  924   2HG   GLU 123          HG1       GLU 123 -36.188  -1.783  -1.609
  925    H    ILE 124           HN       ILE 124 -36.268   0.677  -1.362
  926    HA   ILE 124           HA       ILE 124 -36.368   2.885   0.403
  927    HB   ILE 124           HB       ILE 124 -37.662   2.759  -1.698
  928   1HG1  ILE 124          HG12      ILE 124 -39.422   3.072   0.745
  929   2HG1  ILE 124          HG11      ILE 124 -38.311   4.300   0.146
  930   1HG2  ILE 124          HG21      ILE 124 -39.742   1.449  -1.760
  931   2HG2  ILE 124          HG22      ILE 124 -39.321   0.732  -0.205
  932   3HG2  ILE 124          HG23      ILE 124 -38.313   0.425  -1.619
  933   1HD1  ILE 124          HD11      ILE 124 -40.585   4.776  -0.534
  934   2HD1  ILE 124          HD12      ILE 124 -40.694   3.204  -1.327
  935   3HD1  ILE 124          HD13      ILE 124 -39.576   4.424  -1.938
  936    H    LEU 125           HN       LEU 125 -37.812   3.215   2.180
  937    HA   LEU 125           HA       LEU 125 -37.832   1.022   4.017
  938   1HB   LEU 125          HB2       LEU 125 -39.023   3.789   4.223
  939   2HB   LEU 125          HB1       LEU 125 -38.910   2.647   5.547
  940    HG   LEU 125           HG       LEU 125 -36.444   3.546   4.089
  941   1HD1  LEU 125          HD11      LEU 125 -37.579   5.582   4.761
  942   2HD1  LEU 125          HD12      LEU 125 -36.168   5.300   5.782
  943   3HD1  LEU 125          HD13      LEU 125 -37.785   4.951   6.395
  944   1HD2  LEU 125          HD21      LEU 125 -35.356   2.972   6.166
  945   2HD2  LEU 125          HD22      LEU 125 -36.331   1.610   5.614
  946   3HD2  LEU 125          HD23      LEU 125 -36.913   2.637   6.924
  947    H    GLU 126           HN       GLU 126 -39.874   1.861   1.539
  948    HA   GLU 126           HA       GLU 126 -42.386   1.241   2.793
  949   1HB   GLU 126          HB2       GLU 126 -42.305   2.771   0.890
  950   2HB   GLU 126          HB1       GLU 126 -41.643   1.498  -0.126
  951   1HG   GLU 126          HG2       GLU 126 -43.697   0.231   0.070
  952   2HG   GLU 126          HG1       GLU 126 -44.363   1.442   1.165
  953    H    HIS 127           HN       HIS 127 -43.386  -0.674   2.945
  954    HA   HIS 127           HA       HIS 127 -42.457  -2.928   1.334
  955   1HB   HIS 127          HB2       HIS 127 -42.610  -2.970   4.354
  956   2HB   HIS 127          HB1       HIS 127 -42.365  -4.388   3.341
  957    HD1  HIS 127           HD1      HIS 127 -40.568  -1.704   5.028
  958    HD2  HIS 127           HD2      HIS 127 -39.842  -4.315   1.879
  959    HE1  HIS 127           HE1      HIS 127 -38.079  -1.658   4.678
  960    HE2  HIS 127           HE2      HIS 127 -37.674  -3.175   2.708
  961    H    HIS 128           HN       HIS 128 -43.929  -4.767   1.391
  962    HA   HIS 128           HA       HIS 128 -46.630  -4.144   2.348
  963   1HB   HIS 128          HB2       HIS 128 -45.935  -5.054  -0.454
  964   2HB   HIS 128          HB1       HIS 128 -47.569  -5.002   0.201
  965    HD1  HIS 128           HD1      HIS 128 -44.826  -2.800  -1.058
  966    HD2  HIS 128           HD2      HIS 128 -48.709  -2.456   0.381
  967    HE1  HIS 128           HE1      HIS 128 -45.532  -0.445  -1.586
  968    HE2  HIS 128           HE2      HIS 128 -47.923  -0.296  -0.804
  969    H    HIS 129           HN       HIS 129 -45.449  -6.737   0.254
  970    HA   HIS 129           HA       HIS 129 -45.555  -9.001   0.443
  971   1HB   HIS 129          HB2       HIS 129 -43.659  -8.507   1.957
  972   2HB   HIS 129          HB1       HIS 129 -44.785  -8.419   3.309
  973    HD1  HIS 129           HD1      HIS 129 -45.752 -10.646   4.197
  974    HD2  HIS 129           HD2      HIS 129 -43.053 -11.090   1.068
  975    HE1  HIS 129           HE1      HIS 129 -45.178 -13.093   4.148
  976    HE2  HIS 129           HE2      HIS 129 -43.509 -13.332   2.276
  977    H    HIS 130           HN       HIS 130 -47.775  -9.254   0.104
  978    HA   HIS 130           HA       HIS 130 -49.216 -10.212   2.449
  979   1HB   HIS 130          HB2       HIS 130 -51.244  -8.953   1.893
  980   2HB   HIS 130          HB1       HIS 130 -49.905  -7.864   2.240
  981    HD1  HIS 130           HD1      HIS 130 -52.502  -8.455  -0.175
  982    HD2  HIS 130           HD2      HIS 130 -48.662  -6.869  -0.277
  983    HE1  HIS 130           HE1      HIS 130 -52.375  -7.136  -2.313
  984    HE2  HIS 130           HE2      HIS 130 -50.014  -6.260  -2.396
  985    H    HIS 131           HN       HIS 131 -51.156 -11.459   1.867
  986    HA   HIS 131           HA       HIS 131 -50.723 -12.861  -0.673
  987   1HB   HIS 131          HB2       HIS 131 -52.289 -13.721   1.768
  988   2HB   HIS 131          HB1       HIS 131 -52.001 -14.700   0.332
  989    HD1  HIS 131           HD1      HIS 131 -49.911 -16.069   0.300
  990    HD2  HIS 131           HD2      HIS 131 -49.857 -13.165   3.272
  991    HE1  HIS 131           HE1      HIS 131 -47.854 -16.542   1.665
  992    HE2  HIS 131           HE2      HIS 131 -47.792 -14.716   3.399
  993    H    HIS 132           HN       HIS 132 -53.546 -12.130   1.381
  994    HA   HIS 132           HA       HIS 132 -55.261 -12.052  -0.949
  995   1HB   HIS 132          HB2       HIS 132 -56.037 -11.397   1.893
  996   2HB   HIS 132          HB1       HIS 132 -57.083 -11.932   0.582
  997    HD1  HIS 132           HD1      HIS 132 -57.181 -14.449   0.093
  998    HD2  HIS 132           HD2      HIS 132 -54.557 -13.436   3.152
  999    HE1  HIS 132           HE1      HIS 132 -56.565 -16.622   1.197
 1000    HE2  HIS 132           HE2      HIS 132 -55.027 -15.979   3.086
  Start of MODEL   32
    1   1H    MET   0           HT1      MET   0  32.519  -2.114   2.333
    2   2H    MET   0           HT2      MET   0  33.512  -3.418   1.918
    3   3H    MET   0           HT3      MET   0  31.833  -3.550   1.756
    4    HA   MET   0           HA       MET   0  33.625  -1.775   0.207
    5   1HB   MET   0          HB2       MET   0  32.087  -4.275  -0.491
    6   2HB   MET   0          HB1       MET   0  32.697  -3.170  -1.714
    7   1HG   MET   0          HG2       MET   0  34.245  -4.958  -1.500
    8   2HG   MET   0          HG1       MET   0  34.981  -3.517  -0.802
    9   1HE   MET   0          HE1       MET   0  33.240  -6.978  -0.008
   10   2HE   MET   0          HE2       MET   0  32.197  -5.780   0.759
   11   3HE   MET   0          HE3       MET   0  33.138  -6.894   1.750
   12    H    ASN   1           HN       ASN   1  32.714  -0.105  -0.810
   13    HA   ASN   1           HA       ASN   1  29.986   0.563  -0.229
   14   1HB   ASN   1          HB2       ASN   1  32.225   1.919  -1.700
   15   2HB   ASN   1          HB1       ASN   1  30.582   2.551  -1.797
   16   1HD2  ASN   1          HD21      ASN   1  29.601   3.361   0.053
   17   2HD2  ASN   1          HD22      ASN   1  30.505   3.819   1.449
   18    H    CYS   2           HN       CYS   2  28.267   0.744  -1.623
   19    HA   CYS   2           HA       CYS   2  28.443  -0.904  -4.022
   20   1HB   CYS   2          HB2       CYS   2  25.973   0.346  -2.821
   21   2HB   CYS   2          HB1       CYS   2  26.053  -0.994  -3.958
   22    H    GLY   3           HN       GLY   3  26.755  -0.075  -5.779
   23   1HA   GLY   3          HA2       GLY   3  27.822   2.450  -6.721
   24   2HA   GLY   3          HA1       GLY   3  26.737   1.381  -7.601
   25    HA   PRO   4           HA       PRO   4  24.715   5.444  -5.812
   26   1HB   PRO   4          HB2       PRO   4  23.923   5.287  -8.706
   27   2HB   PRO   4          HB1       PRO   4  24.143   6.713  -7.680
   28   1HG   PRO   4          HG2       PRO   4  26.068   6.027  -9.352
   29   2HG   PRO   4          HG1       PRO   4  26.478   6.516  -7.698
   30   1HD   PRO   4          HD2       PRO   4  26.429   3.786  -8.909
   31   2HD   PRO   4          HD1       PRO   4  27.524   4.458  -7.684
   32    HA   PRO   5           HA       PRO   5  21.253   2.853  -4.765
   33   1HB   PRO   5          HB2       PRO   5  19.979   5.533  -4.440
   34   2HB   PRO   5          HB1       PRO   5  19.986   4.148  -3.341
   35   1HG   PRO   5          HG2       PRO   5  21.561   6.228  -2.872
   36   2HG   PRO   5          HG1       PRO   5  22.148   4.576  -2.607
   37   1HD   PRO   5          HD2       PRO   5  22.755   6.473  -4.831
   38   2HD   PRO   5          HD1       PRO   5  23.807   5.280  -4.047
   39    HA   PRO   6           HA       PRO   6  18.977   3.021  -8.628
   40   1HB   PRO   6          HB2       PRO   6  17.691   0.675  -8.304
   41   2HB   PRO   6          HB1       PRO   6  19.404   0.750  -8.739
   42   1HG   PRO   6          HG2       PRO   6  18.126   0.225  -6.088
   43   2HG   PRO   6          HG1       PRO   6  19.548  -0.541  -6.820
   44   1HD   PRO   6          HD2       PRO   6  19.670   1.433  -4.919
   45   2HD   PRO   6          HD1       PRO   6  20.952   1.108  -6.100
   46    H    THR   7           HN       THR   7  16.642   2.405  -9.151
   47    HA   THR   7           HA       THR   7  14.915   3.898  -7.305
   48    HB   THR   7           HB       THR   7  15.114   4.720  -9.652
   49    HG1  THR   7           HG1      THR   7  12.855   4.219  -8.245
   50   1HG2  THR   7          HG21      THR   7  13.623   2.189 -10.347
   51   2HG2  THR   7          HG22      THR   7  15.305   2.524 -10.755
   52   3HG2  THR   7          HG23      THR   7  14.017   3.508 -11.450
   53    H    LEU   8           HN       LEU   8  13.206   2.924  -6.313
   54    HA   LEU   8           HA       LEU   8  12.717   0.116  -7.002
   55   1HB   LEU   8          HB2       LEU   8  11.918   1.563  -4.483
   56   2HB   LEU   8          HB1       LEU   8  11.888  -0.166  -4.766
   57    HG   LEU   8           HG       LEU   8  14.348   1.571  -4.535
   58   1HD1  LEU   8          HD11      LEU   8  13.234  -0.593  -2.756
   59   2HD1  LEU   8          HD12      LEU   8  13.276   1.134  -2.405
   60   3HD1  LEU   8          HD13      LEU   8  14.781   0.224  -2.533
   61   1HD2  LEU   8          HD21      LEU   8  15.604  -0.534  -4.697
   62   2HD2  LEU   8          HD22      LEU   8  14.722  -0.168  -6.180
   63   3HD2  LEU   8          HD23      LEU   8  14.105  -1.388  -5.065
   64    H    SER   9           HN       SER   9  10.367  -0.483  -6.098
   65    HA   SER   9           HA       SER   9   8.521   1.284  -7.555
   66   1HB   SER   9          HB2       SER   9   8.717  -0.930  -8.556
   67   2HB   SER   9          HB1       SER   9   8.323  -1.688  -7.012
   68    HG   SER   9           HG       SER   9   6.306  -1.446  -7.499
   69    H    PHE  10           HN       PHE  10   8.055  -1.225  -5.060
   70    HA   PHE  10           HA       PHE  10   5.835   0.064  -3.907
   71   1HB   PHE  10          HB2       PHE  10   7.299  -1.591  -2.001
   72   2HB   PHE  10          HB1       PHE  10   5.673  -1.785  -2.640
   73    HD1  PHE  10           HD1      PHE  10   9.222  -2.563  -3.216
   74    HD2  PHE  10           HD2      PHE  10   5.203  -3.284  -4.413
   75    HE1  PHE  10           HE1      PHE  10   9.971  -4.485  -4.554
   76    HE2  PHE  10           HE2      PHE  10   5.943  -5.210  -5.753
   77    HZ   PHE  10           HZ       PHE  10   8.331  -5.814  -5.824
   78    H    ALA  11           HN       ALA  11   8.984   1.040  -3.903
   79    HA   ALA  11           HA       ALA  11   8.484   2.857  -1.682
   80   1HB   ALA  11          HB1       ALA  11  10.535   2.357  -0.540
   81   2HB   ALA  11          HB2       ALA  11  10.970   1.161  -1.761
   82   3HB   ALA  11          HB3       ALA  11   9.589   0.878  -0.700
   83    H    ALA  12           HN       ALA  12   9.758   4.704  -1.664
   84    HA   ALA  12           HA       ALA  12  11.635   5.076  -3.897
   85   1HB   ALA  12          HB1       ALA  12   9.437   6.007  -4.519
   86   2HB   ALA  12          HB2       ALA  12  10.678   7.253  -4.386
   87   3HB   ALA  12          HB3       ALA  12   9.493   7.048  -3.097
   88    HA   PRO  13           HA       PRO  13  14.585   6.957  -1.190
   89   1HB   PRO  13          HB2       PRO  13  14.125   9.492  -2.718
   90   2HB   PRO  13          HB1       PRO  13  15.648   8.732  -2.240
   91   1HG   PRO  13          HG2       PRO  13  14.741   8.512  -4.737
   92   2HG   PRO  13          HG1       PRO  13  15.538   7.147  -3.933
   93   1HD   PRO  13          HD2       PRO  13  12.668   7.551  -4.568
   94   2HD   PRO  13          HD1       PRO  13  13.589   6.044  -4.405
   95    H    MET  14           HN       MET  14  14.519   7.990   0.781
   96    HA   MET  14           HA       MET  14  12.322   9.876   1.247
   97   1HB   MET  14          HB2       MET  14  11.735   7.564   2.046
   98   2HB   MET  14          HB1       MET  14  13.065   7.693   3.188
   99   1HG   MET  14          HG2       MET  14  10.843   9.702   3.111
  100   2HG   MET  14          HG1       MET  14  10.722   8.206   4.034
  101   1HE   MET  14          HE1       MET  14  11.329  10.957   6.779
  102   2HE   MET  14          HE2       MET  14  10.266   9.657   6.239
  103   3HE   MET  14          HE3       MET  14  10.408  11.133   5.285
  104    H    ASP  15           HN       ASP  15  15.284   8.492   2.560
  105    HA   ASP  15           HA       ASP  15  16.326  11.097   3.172
  106   1HB   ASP  15          HB2       ASP  15  14.806  10.590   5.098
  107   2HB   ASP  15          HB1       ASP  15  15.831   9.212   5.479
  108    H    ILE  16           HN       ILE  16  17.642   9.863   1.513
  109    HA   ILE  16           HA       ILE  16  19.508   7.967   2.693
  110    HB   ILE  16           HB       ILE  16  19.756   7.100   0.629
  111   1HG1  ILE  16          HG12      ILE  16  19.511   9.851  -0.613
  112   2HG1  ILE  16          HG11      ILE  16  21.035   9.086  -0.174
  113   1HG2  ILE  16          HG21      ILE  16  17.798   7.392  -0.811
  114   2HG2  ILE  16          HG22      ILE  16  17.352   8.832   0.108
  115   3HG2  ILE  16          HG23      ILE  16  17.345   7.250   0.889
  116   1HD1  ILE  16          HD11      ILE  16  20.603   8.891  -2.552
  117   2HD1  ILE  16          HD12      ILE  16  19.080   8.067  -2.220
  118   3HD1  ILE  16          HD13      ILE  16  20.609   7.305  -1.783
  119    H    THR  17           HN       THR  17  19.248  11.111   2.647
  120    HA   THR  17           HA       THR  17  20.588  12.948   2.556
  121    HB   THR  17           HB       THR  17  22.816  12.687   3.608
  122    HG1  THR  17           HG1      THR  17  22.320  10.113   4.450
  123   1HG2  THR  17          HG21      THR  17  20.507  11.410   5.081
  124   2HG2  THR  17          HG22      THR  17  20.845  13.139   4.974
  125   3HG2  THR  17          HG23      THR  17  21.958  12.073   5.833
  126    H    LEU  18           HN       LEU  18  20.701  13.315   0.390
  127    HA   LEU  18           HA       LEU  18  22.514  12.045  -1.352
  128   1HB   LEU  18          HB2       LEU  18  20.806  14.485  -1.443
  129   2HB   LEU  18          HB1       LEU  18  21.960  14.185  -2.724
  130    HG   LEU  18           HG       LEU  18  19.760  13.385  -3.379
  131   1HD1  LEU  18          HD11      LEU  18  21.667  12.136  -4.204
  132   2HD1  LEU  18          HD12      LEU  18  20.316  11.045  -3.889
  133   3HD1  LEU  18          HD13      LEU  18  21.663  11.133  -2.751
  134   1HD2  LEU  18          HD21      LEU  18  18.826  13.002  -1.162
  135   2HD2  LEU  18          HD22      LEU  18  19.916  11.635  -0.925
  136   3HD2  LEU  18          HD23      LEU  18  18.664  11.561  -2.167
  137    H    THR  19           HN       THR  19  24.481  12.197  -0.110
  138    HA   THR  19           HA       THR  19  25.918  14.682  -0.660
  139    HB   THR  19           HB       THR  19  26.852  14.858   1.544
  140    HG1  THR  19           HG1      THR  19  26.599  13.323   3.069
  141   1HG2  THR  19          HG21      THR  19  24.743  15.986   1.344
  142   2HG2  THR  19          HG22      THR  19  24.796  15.219   2.931
  143   3HG2  THR  19          HG23      THR  19  23.854  14.488   1.629
  144    H    GLU  20           HN       GLU  20  25.775  11.294  -0.327
  145    HA   GLU  20           HA       GLU  20  28.623  11.087  -1.042
  146   1HB   GLU  20          HB2       GLU  20  27.043   9.181   0.695
  147   2HB   GLU  20          HB1       GLU  20  28.695   8.923   0.153
  148   1HG   GLU  20          HG2       GLU  20  27.750  11.151   1.941
  149   2HG   GLU  20          HG1       GLU  20  28.626   9.708   2.448
  150    H    THR  21           HN       THR  21  29.080   9.915  -2.809
  151    HA   THR  21           HA       THR  21  26.935   8.987  -4.471
  152    HB   THR  21           HB       THR  21  29.085   8.031  -5.736
  153    HG1  THR  21           HG1      THR  21  30.859   9.416  -5.316
  154   1HG2  THR  21          HG21      THR  21  28.249  10.933  -5.643
  155   2HG2  THR  21          HG22      THR  21  27.568   9.675  -6.675
  156   3HG2  THR  21          HG23      THR  21  29.232  10.205  -6.914
  157    H    ARG  22           HN       ARG  22  28.967   7.591  -2.112
  158    HA   ARG  22           HA       ARG  22  28.140   4.889  -2.932
  159   1HB   ARG  22          HB2       ARG  22  30.652   5.531  -1.408
  160   2HB   ARG  22          HB1       ARG  22  30.170   3.983  -2.083
  161   1HG   ARG  22          HG2       ARG  22  30.434   4.856  -4.334
  162   2HG   ARG  22          HG1       ARG  22  30.877   6.435  -3.679
  163   1HD   ARG  22          HD2       ARG  22  32.810   5.402  -2.557
  164   2HD   ARG  22          HD1       ARG  22  32.380   3.850  -3.277
  165    HE   ARG  22           HE       ARG  22  32.649   5.725  -5.332
  166   1HH1  ARG  22          HH11      ARG  22  34.608   4.096  -2.956
  167   2HH1  ARG  22          HH12      ARG  22  36.049   4.154  -3.915
  168   1HH2  ARG  22          HH21      ARG  22  34.542   5.806  -6.602
  169   2HH2  ARG  22          HH22      ARG  22  36.011   5.126  -5.988
  170    H    PHE  23           HN       PHE  23  28.012   3.354  -1.113
  171    HA   PHE  23           HA       PHE  23  27.595   4.509   1.540
  172   1HB   PHE  23          HB2       PHE  23  25.484   2.828   0.158
  173   2HB   PHE  23          HB1       PHE  23  25.377   3.543   1.764
  174    HD1  PHE  23           HD1      PHE  23  25.669   4.401  -1.827
  175    HD2  PHE  23           HD2      PHE  23  24.487   5.683   2.054
  176    HE1  PHE  23           HE1      PHE  23  24.688   6.425  -2.802
  177    HE2  PHE  23           HE2      PHE  23  23.488   7.714   1.080
  178    HZ   PHE  23           HZ       PHE  23  23.590   8.088  -1.353
  179    H    LYS  24           HN       LYS  24  28.828   3.271   2.835
  180    HA   LYS  24           HA       LYS  24  29.984   0.862   2.118
  181   1HB   LYS  24          HB2       LYS  24  30.389   0.536   4.595
  182   2HB   LYS  24          HB1       LYS  24  30.974   2.043   3.908
  183   1HG   LYS  24          HG2       LYS  24  29.101   3.246   4.832
  184   2HG   LYS  24          HG1       LYS  24  28.378   1.741   5.405
  185   1HD   LYS  24          HD2       LYS  24  30.432   1.394   6.803
  186   2HD   LYS  24          HD1       LYS  24  30.936   3.024   6.351
  187   1HE   LYS  24          HE2       LYS  24  28.329   2.362   7.711
  188   2HE   LYS  24          HE1       LYS  24  29.785   2.893   8.553
  189   1HZ   LYS  24          HZ1       LYS  24  28.486   4.472   6.408
  190   2HZ   LYS  24          HZ2       LYS  24  29.695   4.981   7.477
  191   3HZ   LYS  24          HZ3       LYS  24  28.134   4.675   8.050
  192    H    THR  25           HN       THR  25  29.775  -1.180   3.548
  193    HA   THR  25           HA       THR  25  27.223  -2.302   2.959
  194    HB   THR  25           HB       THR  25  28.286  -4.223   4.413
  195    HG1  THR  25           HG1      THR  25  30.135  -3.392   5.149
  196   1HG2  THR  25          HG21      THR  25  29.403  -3.575   1.687
  197   2HG2  THR  25          HG22      THR  25  27.797  -4.248   1.958
  198   3HG2  THR  25          HG23      THR  25  29.228  -5.176   2.411
  199    H    GLY  26           HN       GLY  26  28.390  -0.572   5.589
  200   1HA   GLY  26          HA2       GLY  26  26.620  -1.906   7.511
  201   2HA   GLY  26          HA1       GLY  26  27.821  -0.680   7.894
  202    H    THR  27           HN       THR  27  26.579   0.614   5.325
  203    HA   THR  27           HA       THR  27  25.014   2.546   6.692
  204    HB   THR  27           HB       THR  27  26.333   2.769   4.468
  205    HG1  THR  27           HG1      THR  27  25.120   4.478   5.385
  206   1HG2  THR  27          HG21      THR  27  25.313   2.240   2.484
  207   2HG2  THR  27          HG22      THR  27  23.690   2.303   3.174
  208   3HG2  THR  27          HG23      THR  27  24.734   0.916   3.495
  209    H    THR  28           HN       THR  28  22.773   3.157   6.023
  210    HA   THR  28           HA       THR  28  21.061   1.132   4.944
  211    HB   THR  28           HB       THR  28  20.746   1.815   7.879
  212    HG1  THR  28           HG1      THR  28  21.085  -0.537   8.045
  213   1HG2  THR  28          HG21      THR  28  19.117  -0.017   6.114
  214   2HG2  THR  28          HG22      THR  28  18.599   1.553   6.725
  215   3HG2  THR  28          HG23      THR  28  18.890   0.224   7.847
  216    H    LEU  29           HN       LEU  29  19.519   2.143   3.864
  217    HA   LEU  29           HA       LEU  29  19.083   4.972   4.338
  218   1HB   LEU  29          HB2       LEU  29  18.013   3.154   2.180
  219   2HB   LEU  29          HB1       LEU  29  17.777   4.889   2.245
  220    HG   LEU  29           HG       LEU  29  20.326   5.087   2.160
  221   1HD1  LEU  29          HD11      LEU  29  20.752   2.712   2.737
  222   2HD1  LEU  29          HD12      LEU  29  21.553   3.231   1.253
  223   3HD1  LEU  29          HD13      LEU  29  20.089   2.252   1.168
  224   1HD2  LEU  29          HD21      LEU  29  18.861   3.924  -0.206
  225   2HD2  LEU  29          HD22      LEU  29  20.363   4.846  -0.271
  226   3HD2  LEU  29          HD23      LEU  29  18.875   5.620   0.273
  227    H    LYS  30           HN       LYS  30  16.498   5.304   3.430
  228    HA   LYS  30           HA       LYS  30  14.899   3.985   5.523
  229   1HB   LYS  30          HB2       LYS  30  15.433   6.462   5.852
  230   2HB   LYS  30          HB1       LYS  30  14.381   6.763   4.472
  231   1HG   LYS  30          HG2       LYS  30  12.924   7.072   6.202
  232   2HG   LYS  30          HG1       LYS  30  12.661   5.362   5.854
  233   1HD   LYS  30          HD2       LYS  30  14.609   6.321   7.939
  234   2HD   LYS  30          HD1       LYS  30  12.915   5.989   8.297
  235   1HE   LYS  30          HE2       LYS  30  13.225   3.682   7.474
  236   2HE   LYS  30          HE1       LYS  30  14.934   4.030   7.211
  237   1HZ   LYS  30          HZ1       LYS  30  15.149   4.489   9.589
  238   2HZ   LYS  30          HZ2       LYS  30  14.617   2.908   9.306
  239   3HZ   LYS  30          HZ3       LYS  30  13.522   4.087   9.823
  240    H    TYR  31           HN       TYR  31  14.298   6.014   2.661
  241    HA   TYR  31           HA       TYR  31  12.956   5.753   0.849
  242   1HB   TYR  31          HB2       TYR  31  13.422   2.914   1.640
  243   2HB   TYR  31          HB1       TYR  31  12.158   3.256   0.466
  244    HD1  TYR  31           HD1      TYR  31  12.685   3.721  -1.781
  245    HD2  TYR  31           HD2      TYR  31  15.783   3.644   1.132
  246    HE1  TYR  31           HE1      TYR  31  14.364   3.813  -3.574
  247    HE2  TYR  31           HE2      TYR  31  17.469   3.736  -0.654
  248    HH   TYR  31           HH       TYR  31  17.663   3.207  -3.036
  249    H    THR  32           HN       THR  32  10.947   6.460   0.753
  250    HA   THR  32           HA       THR  32   9.037   5.656   2.823
  251    HB   THR  32           HB       THR  32   9.046   7.976   2.795
  252    HG1  THR  32           HG1      THR  32   7.115   8.507   1.321
  253   1HG2  THR  32          HG21      THR  32   9.068   9.325   0.702
  254   2HG2  THR  32          HG22      THR  32   9.263   7.828  -0.212
  255   3HG2  THR  32          HG23      THR  32  10.514   8.339   0.924
  256    H    CYS  33           HN       CYS  33   8.243   3.749   2.101
  257    HA   CYS  33           HA       CYS  33   7.704   2.982  -0.499
  258   1HB   CYS  33          HB2       CYS  33   6.282   2.122   2.024
  259   2HB   CYS  33          HB1       CYS  33   6.262   1.256   0.490
  260    H    LEU  34           HN       LEU  34   6.350   3.525  -1.922
  261    HA   LEU  34           HA       LEU  34   4.617   5.569  -2.040
  262   1HB   LEU  34          HB2       LEU  34   4.203   2.880  -3.341
  263   2HB   LEU  34          HB1       LEU  34   3.353   4.342  -3.797
  264    HG   LEU  34           HG       LEU  34   6.312   3.813  -4.065
  265   1HD1  LEU  34          HD11      LEU  34   5.111   2.715  -5.788
  266   2HD1  LEU  34          HD12      LEU  34   5.768   4.194  -6.487
  267   3HD1  LEU  34          HD13      LEU  34   4.064   4.111  -6.040
  268   1HD2  LEU  34          HD21      LEU  34   5.947   6.130  -3.419
  269   2HD2  LEU  34          HD22      LEU  34   4.756   6.313  -4.706
  270   3HD2  LEU  34          HD23      LEU  34   6.448   6.021  -5.106
  271    HA   PRO  35           HA       PRO  35   1.503   5.186   1.066
  272   1HB   PRO  35          HB2       PRO  35  -0.101   6.400  -1.146
  273   2HB   PRO  35          HB1       PRO  35  -0.055   6.824   0.570
  274   1HG   PRO  35          HG2       PRO  35   1.294   8.270  -1.201
  275   2HG   PRO  35          HG1       PRO  35   2.000   7.895   0.382
  276   1HD   PRO  35          HD2       PRO  35   2.662   6.791  -2.296
  277   2HD   PRO  35          HD1       PRO  35   3.700   7.009  -0.874
  278    H    GLY  36           HN       GLY  36   1.083   3.749  -2.101
  279   1HA   GLY  36          HA2       GLY  36  -1.411   2.510  -1.453
  280   2HA   GLY  36          HA1       GLY  36  -0.419   2.179  -2.858
  281    H    TYR  37           HN       TYR  37   1.599   1.767  -0.290
  282    HA   TYR  37           HA       TYR  37   1.257  -1.119  -0.401
  283   1HB   TYR  37          HB2       TYR  37   3.437  -1.280   0.443
  284   2HB   TYR  37          HB1       TYR  37   3.503   0.181  -0.541
  285    HD1  TYR  37           HD1      TYR  37   4.417  -1.169   2.515
  286    HD2  TYR  37           HD2      TYR  37   2.789   2.382   0.831
  287    HE1  TYR  37           HE1      TYR  37   5.154   0.102   4.494
  288    HE2  TYR  37           HE2      TYR  37   3.532   3.664   2.800
  289    HH   TYR  37           HH       TYR  37   5.699   2.418   5.097
  290    H    VAL  38           HN       VAL  38   0.983  -2.418   1.451
  291    HA   VAL  38           HA       VAL  38  -0.092  -1.053   3.827
  292    HB   VAL  38           HB       VAL  38  -1.436  -3.034   4.226
  293   1HG1  VAL  38          HG11      VAL  38  -2.302  -1.272   2.722
  294   2HG1  VAL  38          HG12      VAL  38  -2.966  -2.866   2.368
  295   3HG1  VAL  38          HG13      VAL  38  -1.698  -2.193   1.343
  296   1HG2  VAL  38          HG21      VAL  38   0.097  -4.719   3.373
  297   2HG2  VAL  38          HG22      VAL  38  -0.162  -4.141   1.726
  298   3HG2  VAL  38          HG23      VAL  38  -1.488  -4.887   2.617
  299    H    ARG  39           HN       ARG  39  -0.052  -3.623   5.274
  300    HA   ARG  39           HA       ARG  39   2.848  -3.976   5.522
  301   1HB   ARG  39          HB2       ARG  39   0.900  -3.532   7.778
  302   2HB   ARG  39          HB1       ARG  39   2.561  -4.061   8.005
  303   1HG   ARG  39          HG2       ARG  39   3.349  -1.991   6.943
  304   2HG   ARG  39          HG1       ARG  39   1.673  -1.460   6.774
  305   1HD   ARG  39          HD2       ARG  39   1.400  -1.520   9.196
  306   2HD   ARG  39          HD1       ARG  39   3.062  -2.081   9.377
  307    HE   ARG  39           HE       ARG  39   3.062   0.331   7.941
  308   1HH1  ARG  39          HH11      ARG  39   2.415  -0.874  11.145
  309   2HH1  ARG  39          HH12      ARG  39   2.872   0.599  11.931
  310   1HH2  ARG  39          HH21      ARG  39   3.668   2.275   8.968
  311   2HH2  ARG  39          HH22      ARG  39   3.585   2.389  10.695
  312    H    SER  40           HN       SER  40   3.589  -5.910   5.675
  313    HA   SER  40           HA       SER  40   1.938  -8.123   6.645
  314   1HB   SER  40          HB2       SER  40   1.690  -8.204   4.202
  315   2HB   SER  40          HB1       SER  40   3.442  -8.145   4.008
  316    HG   SER  40           HG       SER  40   3.569 -10.159   5.040
  317    H    HIS  41           HN       HIS  41   4.903  -6.567   5.988
  318    HA   HIS  41           HA       HIS  41   6.312  -8.313   7.876
  319   1HB   HIS  41          HB2       HIS  41   7.350  -7.339   5.203
  320   2HB   HIS  41          HB1       HIS  41   8.381  -8.011   6.462
  321    HD1  HIS  41           HD1      HIS  41   5.985  -8.965   3.799
  322    HD2  HIS  41           HD2      HIS  41   8.077 -10.799   6.887
  323    HE1  HIS  41           HE1      HIS  41   5.819 -11.435   3.350
  324    HE2  HIS  41           HE2      HIS  41   7.045 -12.527   5.261
  325    H    SER  42           HN       SER  42   5.633  -5.269   6.468
  326    HA   SER  42           HA       SER  42   5.883  -3.136   7.168
  327   1HB   SER  42          HB2       SER  42   7.144  -4.045   9.727
  328   2HB   SER  42          HB1       SER  42   6.059  -2.684   9.433
  329    HG   SER  42           HG       SER  42   4.860  -5.004   8.783
  330    H    THR  43           HN       THR  43   8.498  -5.218   6.840
  331    HA   THR  43           HA       THR  43  10.672  -3.598   7.521
  332    HB   THR  43           HB       THR  43  11.943  -4.995   5.893
  333    HG1  THR  43           HG1      THR  43   9.329  -5.897   5.310
  334   1HG2  THR  43          HG21      THR  43  11.655  -5.739   8.198
  335   2HG2  THR  43          HG22      THR  43  11.633  -7.114   7.094
  336   3HG2  THR  43          HG23      THR  43  10.124  -6.500   7.769
  337    H    GLN  44           HN       GLN  44  12.090  -2.371   6.174
  338    HA   GLN  44           HA       GLN  44  11.615  -1.716   3.495
  339   1HB   GLN  44          HB2       GLN  44  10.766   0.622   3.796
  340   2HB   GLN  44          HB1       GLN  44   9.594  -0.630   4.178
  341   1HG   GLN  44          HG2       GLN  44   9.950  -0.312   6.537
  342   2HG   GLN  44          HG1       GLN  44  11.244   0.842   6.218
  343   1HE2  GLN  44          HE21      GLN  44   7.814   0.300   6.202
  344   2HE2  GLN  44          HE22      GLN  44   7.348   1.955   6.036
  345    H    THR  45           HN       THR  45  13.923  -2.113   3.801
  346    HA   THR  45           HA       THR  45  15.356   0.369   4.198
  347    HB   THR  45           HB       THR  45  17.060  -0.808   5.701
  348    HG1  THR  45           HG1      THR  45  16.230  -2.535   6.920
  349   1HG2  THR  45          HG21      THR  45  15.588   0.990   6.485
  350   2HG2  THR  45          HG22      THR  45  15.837  -0.227   7.737
  351   3HG2  THR  45          HG23      THR  45  14.325  -0.193   6.828
  352    H    LEU  46           HN       LEU  46  17.384   0.410   3.259
  353    HA   LEU  46           HA       LEU  46  18.063  -1.922   1.587
  354   1HB   LEU  46          HB2       LEU  46  17.754   0.925   0.892
  355   2HB   LEU  46          HB1       LEU  46  19.208   0.172   0.265
  356    HG   LEU  46           HG       LEU  46  17.852  -1.532  -0.863
  357   1HD1  LEU  46          HD11      LEU  46  15.981  -1.634   0.674
  358   2HD1  LEU  46          HD12      LEU  46  15.412  -1.291  -0.960
  359   3HD1  LEU  46          HD13      LEU  46  15.503   0.005   0.233
  360   1HD2  LEU  46          HD21      LEU  46  18.428   0.616  -1.980
  361   2HD2  LEU  46          HD22      LEU  46  16.847   1.235  -1.502
  362   3HD2  LEU  46          HD23      LEU  46  16.961  -0.141  -2.599
  363    H    THR  47           HN       THR  47  19.785  -2.835   2.504
  364    HA   THR  47           HA       THR  47  21.919  -1.088   3.557
  365    HB   THR  47           HB       THR  47  21.537  -4.009   4.225
  366    HG1  THR  47           HG1      THR  47  19.716  -2.785   4.952
  367   1HG2  THR  47          HG21      THR  47  23.764  -3.141   4.645
  368   2HG2  THR  47          HG22      THR  47  22.934  -3.429   6.173
  369   3HG2  THR  47          HG23      THR  47  23.092  -1.786   5.552
  370    H    CYS  48           HN       CYS  48  24.081  -1.525   2.975
  371    HA   CYS  48           HA       CYS  48  24.345  -2.858   0.442
  372   1HB   CYS  48          HB2       CYS  48  26.009  -1.092   2.130
  373   2HB   CYS  48          HB1       CYS  48  26.894  -2.246   1.148
  374    H    ASN  49           HN       ASN  49  24.637  -4.929   0.269
  375    HA   ASN  49           HA       ASN  49  25.790  -6.419   2.507
  376   1HB   ASN  49          HB2       ASN  49  24.977  -8.430   1.197
  377   2HB   ASN  49          HB1       ASN  49  23.709  -7.340   1.751
  378   1HD2  ASN  49          HD21      ASN  49  22.819  -5.847   0.217
  379   2HD2  ASN  49          HD22      ASN  49  22.792  -6.257  -1.461
  380    H    SER  50           HN       SER  50  27.101  -8.470   1.539
  381    HA   SER  50           HA       SER  50  29.330  -7.252   0.139
  382   1HB   SER  50          HB2       SER  50  29.837  -8.682   2.034
  383   2HB   SER  50          HB1       SER  50  28.977 -10.033   1.290
  384    HG   SER  50           HG       SER  50  30.795  -9.118  -0.432
  385    H    ASP  51           HN       ASP  51  27.699  -6.990  -1.664
  386    HA   ASP  51           HA       ASP  51  28.218  -8.977  -3.746
  387   1HB   ASP  51          HB2       ASP  51  26.017  -9.558  -2.564
  388   2HB   ASP  51          HB1       ASP  51  25.408  -8.043  -3.231
  389    H    GLY  52           HN       GLY  52  28.242  -5.928  -2.679
  390   1HA   GLY  52          HA2       GLY  52  28.379  -3.876  -3.686
  391   2HA   GLY  52          HA1       GLY  52  28.646  -4.748  -5.188
  392    H    GLU  53           HN       GLU  53  25.821  -5.501  -3.537
  393    HA   GLU  53           HA       GLU  53  24.205  -3.566  -5.055
  394   1HB   GLU  53          HB2       GLU  53  22.773  -5.189  -5.901
  395   2HB   GLU  53          HB1       GLU  53  24.342  -5.971  -6.031
  396   1HG   GLU  53          HG2       GLU  53  23.901  -7.197  -3.961
  397   2HG   GLU  53          HG1       GLU  53  22.327  -6.415  -3.840
  398    H    TRP  54           HN       TRP  54  21.857  -3.621  -4.243
  399    HA   TRP  54           HA       TRP  54  21.919  -3.506  -1.338
  400   1HB   TRP  54          HB2       TRP  54  19.919  -2.476  -3.361
  401   2HB   TRP  54          HB1       TRP  54  19.823  -2.224  -1.626
  402    HD1  TRP  54           HD1      TRP  54  21.442  -0.851  -4.732
  403    HE1  TRP  54           HE1      TRP  54  22.895   1.186  -4.116
  404    HE3  TRP  54           HE3      TRP  54  21.355  -1.320   0.340
  405    HZ2  TRP  54           HZ2      TRP  54  23.879   2.431  -1.767
  406    HZ3  TRP  54           HZ3      TRP  54  22.570   0.328   1.709
  407    HH2  TRP  54           HH2      TRP  54  23.806   2.163   0.674
  408    H    VAL  55           HN       VAL  55  21.191  -5.122  -0.218
  409    HA   VAL  55           HA       VAL  55  19.345  -7.092  -1.394
  410    HB   VAL  55           HB       VAL  55  21.547  -7.208   0.596
  411   1HG1  VAL  55          HG11      VAL  55  19.036  -8.832   0.930
  412   2HG1  VAL  55          HG12      VAL  55  19.719  -7.675   2.072
  413   3HG1  VAL  55          HG13      VAL  55  20.573  -9.179   1.724
  414   1HG2  VAL  55          HG21      VAL  55  21.608  -8.222  -1.688
  415   2HG2  VAL  55          HG22      VAL  55  20.371  -9.361  -1.150
  416   3HG2  VAL  55          HG23      VAL  55  21.958  -9.346  -0.374
  417    H    TYR  56           HN       TYR  56  17.368  -7.509  -0.332
  418    HA   TYR  56           HA       TYR  56  16.789  -6.686   2.252
  419   1HB   TYR  56          HB2       TYR  56  15.359  -4.663   1.799
  420   2HB   TYR  56          HB1       TYR  56  17.083  -4.409   1.541
  421    HD1  TYR  56           HD1      TYR  56  17.969  -4.066  -0.699
  422    HD2  TYR  56           HD2      TYR  56  13.811  -4.720  -0.081
  423    HE1  TYR  56           HE1      TYR  56  17.516  -3.315  -2.997
  424    HE2  TYR  56           HE2      TYR  56  13.345  -3.970  -2.376
  425    HH   TYR  56           HH       TYR  56  14.357  -2.636  -4.120
  426    H    ASN  57           HN       ASN  57  16.019  -8.373  -0.323
  427    HA   ASN  57           HA       ASN  57  14.196  -9.497  -1.138
  428   1HB   ASN  57          HB2       ASN  57  13.525  -9.287   1.803
  429   2HB   ASN  57          HB1       ASN  57  12.603 -10.274   0.672
  430   1HD2  ASN  57          HD21      ASN  57  16.075  -9.830   0.522
  431   2HD2  ASN  57          HD22      ASN  57  16.487 -11.454   0.941
  432    H    THR  58           HN       THR  58  11.482  -9.454  -0.397
  433    HA   THR  58           HA       THR  58  10.714  -6.867  -1.492
  434    HB   THR  58           HB       THR  58   8.847  -9.142  -0.816
  435    HG1  THR  58           HG1      THR  58  10.751  -9.526  -2.383
  436   1HG2  THR  58          HG21      THR  58   8.687  -6.862  -2.795
  437   2HG2  THR  58          HG22      THR  58   7.792  -6.990  -1.281
  438   3HG2  THR  58          HG23      THR  58   7.474  -8.127  -2.591
  439    H    PHE  59           HN       PHE  59  11.083  -5.519   0.279
  440    HA   PHE  59           HA       PHE  59  10.149  -5.988   2.883
  441   1HB   PHE  59          HB2       PHE  59  10.399  -3.426   3.073
  442   2HB   PHE  59          HB1       PHE  59  11.832  -4.386   2.730
  443    HD1  PHE  59           HD1      PHE  59   9.327  -3.668   0.132
  444    HD2  PHE  59           HD2      PHE  59  13.059  -2.542   1.840
  445    HE1  PHE  59           HE1      PHE  59   9.800  -2.268  -1.832
  446    HE2  PHE  59           HE2      PHE  59  13.536  -1.141  -0.124
  447    HZ   PHE  59           HZ       PHE  59  11.906  -1.002  -1.962
  448    H    CYS  60           HN       CYS  60   8.967  -2.945   2.087
  449    HA   CYS  60           HA       CYS  60   6.457  -3.187   3.039
  450   1HB   CYS  60          HB2       CYS  60   7.329  -1.528   0.667
  451   2HB   CYS  60          HB1       CYS  60   5.797  -1.316   1.512
  452    H    ILE  61           HN       ILE  61   4.673  -4.271   2.544
  453    HA   ILE  61           HA       ILE  61   4.587  -5.723   0.038
  454    HB   ILE  61           HB       ILE  61   4.052  -6.990   2.017
  455   1HG1  ILE  61          HG12      ILE  61   1.377  -6.625   0.718
  456   2HG1  ILE  61          HG11      ILE  61   2.733  -7.208  -0.242
  457   1HG2  ILE  61          HG21      ILE  61   1.798  -5.038   2.453
  458   2HG2  ILE  61          HG22      ILE  61   3.266  -5.159   3.422
  459   3HG2  ILE  61          HG23      ILE  61   2.109  -6.489   3.405
  460   1HD1  ILE  61          HD11      ILE  61   3.007  -9.097   1.237
  461   2HD1  ILE  61          HD12      ILE  61   1.347  -9.022   0.642
  462   3HD1  ILE  61          HD13      ILE  61   1.721  -8.493   2.282
  463    H    TYR  62           HN       TYR  62   4.139  -4.209  -1.494
  464    HA   TYR  62           HA       TYR  62   1.952  -2.363  -1.245
  465   1HB   TYR  62          HB2       TYR  62   4.133  -2.134  -2.636
  466   2HB   TYR  62          HB1       TYR  62   3.265  -3.076  -3.848
  467    HD1  TYR  62           HD1      TYR  62   4.313  -0.042  -3.629
  468    HD2  TYR  62           HD2      TYR  62   0.518  -1.955  -3.473
  469    HE1  TYR  62           HE1      TYR  62   3.240   2.035  -4.374
  470    HE2  TYR  62           HE2      TYR  62  -0.568   0.116  -4.218
  471    HH   TYR  62           HH       TYR  62   0.459   2.888  -3.943
  472    H    LYS  63           HN       LYS  63  -0.044  -3.095  -1.228
  473    HA   LYS  63           HA       LYS  63  -1.078  -4.482  -3.537
  474   1HB   LYS  63          HB2       LYS  63  -2.115  -6.284  -2.153
  475   2HB   LYS  63          HB1       LYS  63  -0.362  -6.391  -2.243
  476   1HG   LYS  63          HG2       LYS  63  -0.158  -5.425  -0.031
  477   2HG   LYS  63          HG1       LYS  63  -1.906  -5.202   0.055
  478   1HD   LYS  63          HD2       LYS  63  -2.263  -7.572   0.017
  479   2HD   LYS  63          HD1       LYS  63  -0.554  -7.878  -0.257
  480   1HE   LYS  63          HE2       LYS  63  -0.135  -6.732   1.959
  481   2HE   LYS  63          HE1       LYS  63  -1.881  -6.769   2.200
  482   1HZ   LYS  63          HZ1       LYS  63  -0.170  -9.158   1.778
  483   2HZ   LYS  63          HZ2       LYS  63  -1.839  -9.168   2.049
  484   3HZ   LYS  63          HZ3       LYS  63  -0.789  -8.646   3.266
  485    H    ARG  64           HN       ARG  64  -3.013  -3.628  -3.984
  486    HA   ARG  64           HA       ARG  64  -4.556  -2.484  -1.759
  487   1HB   ARG  64          HB2       ARG  64  -4.058  -1.370  -4.504
  488   2HB   ARG  64          HB1       ARG  64  -5.434  -0.857  -3.540
  489   1HG   ARG  64          HG2       ARG  64  -4.169   0.366  -2.142
  490   2HG   ARG  64          HG1       ARG  64  -2.838  -0.793  -2.163
  491   1HD   ARG  64          HD2       ARG  64  -2.207   1.344  -3.179
  492   2HD   ARG  64          HD1       ARG  64  -2.132   0.017  -4.335
  493    HE   ARG  64           HE       ARG  64  -4.644   1.359  -4.422
  494   1HH1  ARG  64          HH11      ARG  64  -1.327   1.560  -5.465
  495   2HH1  ARG  64          HH12      ARG  64  -1.684   2.545  -6.843
  496   1HH2  ARG  64          HH21      ARG  64  -5.125   2.658  -6.235
  497   2HH2  ARG  64          HH22      ARG  64  -3.843   3.172  -7.279
  498    H    CYS  65           HN       CYS  65  -6.867  -1.848  -3.086
  499    HA   CYS  65           HA       CYS  65  -7.793  -4.404  -4.203
  500   1HB   CYS  65          HB2       CYS  65  -9.386  -2.712  -2.266
  501   2HB   CYS  65          HB1       CYS  65  -9.798  -4.311  -2.877
  502    H    ARG  66           HN       ARG  66  -8.994  -4.178  -6.037
  503    HA   ARG  66           HA       ARG  66  -9.101  -1.712  -7.315
  504   1HB   ARG  66          HB2       ARG  66  -9.247  -3.701  -8.648
  505   2HB   ARG  66          HB1       ARG  66 -10.700  -4.231  -7.812
  506   1HG   ARG  66          HG2       ARG  66 -11.235  -3.391 -10.018
  507   2HG   ARG  66          HG1       ARG  66 -11.931  -2.345  -8.777
  508   1HD   ARG  66          HD2       ARG  66 -11.010  -0.889 -10.383
  509   2HD   ARG  66          HD1       ARG  66  -9.870  -0.900  -9.038
  510    HE   ARG  66           HE       ARG  66  -9.039  -2.851 -10.832
  511   1HH1  ARG  66          HH11      ARG  66  -9.433   0.611 -10.758
  512   2HH1  ARG  66          HH12      ARG  66  -8.164   0.910 -11.897
  513   1HH2  ARG  66          HH21      ARG  66  -7.367  -2.466 -12.336
  514   2HH2  ARG  66          HH22      ARG  66  -6.991  -0.838 -12.796
  515    H    HIS  67           HN       HIS  67 -10.664  -0.194  -7.608
  516    HA   HIS  67           HA       HIS  67 -12.386   0.270  -5.411
  517   1HB   HIS  67          HB2       HIS  67 -11.327   1.992  -6.988
  518   2HB   HIS  67          HB1       HIS  67 -12.634   1.606  -8.103
  519    HD1  HIS  67           HD1      HIS  67 -14.700   2.949  -7.832
  520    HD2  HIS  67           HD2      HIS  67 -12.377   2.938  -4.389
  521    HE1  HIS  67           HE1      HIS  67 -15.846   4.530  -6.244
  522    HE2  HIS  67           HE2      HIS  67 -14.466   4.445  -4.137
  523    HA   PRO  68           HA       PRO  68 -15.704  -2.481  -6.718
  524   1HB   PRO  68          HB2       PRO  68 -17.591  -1.267  -5.059
  525   2HB   PRO  68          HB1       PRO  68 -16.578  -2.641  -4.620
  526   1HG   PRO  68          HG2       PRO  68 -16.255   0.241  -3.959
  527   2HG   PRO  68          HG1       PRO  68 -15.819  -1.191  -3.011
  528   1HD   PRO  68          HD2       PRO  68 -13.967   0.291  -4.298
  529   2HD   PRO  68          HD1       PRO  68 -13.802  -1.466  -4.102
  530    H    GLY  69           HN       GLY  69 -15.522   0.931  -6.913
  531   1HA   GLY  69          HA2       GLY  69 -16.266   2.175  -8.766
  532   2HA   GLY  69          HA1       GLY  69 -17.379   0.877  -9.169
  533    H    GLU  70           HN       GLU  70 -17.894   3.687  -8.960
  534    HA   GLU  70           HA       GLU  70 -19.057   4.801  -6.857
  535   1HB   GLU  70          HB2       GLU  70 -19.212   5.737  -9.119
  536   2HB   GLU  70          HB1       GLU  70 -20.425   4.536  -9.536
  537   1HG   GLU  70          HG2       GLU  70 -21.894   5.476  -7.778
  538   2HG   GLU  70          HG1       GLU  70 -20.693   6.736  -7.502
  539    H    LEU  71           HN       LEU  71 -20.700   4.704  -5.563
  540    HA   LEU  71           HA       LEU  71 -22.372   2.288  -5.601
  541   1HB   LEU  71          HB2       LEU  71 -21.314   2.427  -3.514
  542   2HB   LEU  71          HB1       LEU  71 -21.453   4.172  -3.450
  543    HG   LEU  71           HG       LEU  71 -23.872   3.929  -3.043
  544   1HD1  LEU  71          HD11      LEU  71 -24.295   1.793  -4.079
  545   2HD1  LEU  71          HD12      LEU  71 -24.758   1.733  -2.377
  546   3HD1  LEU  71          HD13      LEU  71 -23.246   0.993  -2.908
  547   1HD2  LEU  71          HD21      LEU  71 -22.146   2.447  -1.084
  548   2HD2  LEU  71          HD22      LEU  71 -23.696   3.218  -0.740
  549   3HD2  LEU  71          HD23      LEU  71 -22.303   4.200  -1.196
  550    H    ARG  72           HN       ARG  72 -24.099   2.711  -6.843
  551    HA   ARG  72           HA       ARG  72 -25.190   5.311  -7.174
  552   1HB   ARG  72          HB2       ARG  72 -25.497   3.590  -8.913
  553   2HB   ARG  72          HB1       ARG  72 -26.447   2.619  -7.794
  554   1HG   ARG  72          HG2       ARG  72 -28.168   4.326  -7.734
  555   2HG   ARG  72          HG1       ARG  72 -27.209   5.354  -8.800
  556   1HD   ARG  72          HD2       ARG  72 -28.892   4.248 -10.105
  557   2HD   ARG  72          HD1       ARG  72 -27.317   3.580 -10.528
  558    HE   ARG  72           HE       ARG  72 -28.596   2.052  -8.494
  559   1HH1  ARG  72          HH11      ARG  72 -28.552   2.648 -11.925
  560   2HH1  ARG  72          HH12      ARG  72 -29.179   1.087 -12.335
  561   1HH2  ARG  72          HH21      ARG  72 -29.425  -0.010  -9.027
  562   2HH2  ARG  72          HH22      ARG  72 -29.676  -0.423 -10.690
  563    H    ASN  73           HN       ASN  73 -26.506   6.436  -6.175
  564    HA   ASN  73           HA       ASN  73 -28.010   7.200  -4.699
  565   1HB   ASN  73          HB2       ASN  73 -28.600   4.312  -3.976
  566   2HB   ASN  73          HB1       ASN  73 -29.588   5.710  -3.570
  567   1HD2  ASN  73          HD21      ASN  73 -29.157   6.956  -6.183
  568   2HD2  ASN  73          HD22      ASN  73 -30.146   6.075  -7.293
  569    H    GLY  74           HN       GLY  74 -25.185   5.836  -4.173
  570   1HA   GLY  74          HA2       GLY  74 -25.273   6.542  -1.317
  571   2HA   GLY  74          HA1       GLY  74 -24.427   5.113  -1.882
  572    H    GLN  75           HN       GLN  75 -22.769   6.335  -0.569
  573    HA   GLN  75           HA       GLN  75 -21.126   7.887  -2.417
  574   1HB   GLN  75          HB2       GLN  75 -22.413   9.491  -0.960
  575   2HB   GLN  75          HB1       GLN  75 -21.564   8.814   0.423
  576   1HG   GLN  75          HG2       GLN  75 -20.430  10.793  -0.163
  577   2HG   GLN  75          HG1       GLN  75 -19.418   9.456  -0.706
  578   1HE2  GLN  75          HE21      GLN  75 -19.520  12.240  -1.600
  579   2HE2  GLN  75          HE22      GLN  75 -19.829  12.180  -3.300
  580    H    VAL  76           HN       VAL  76 -19.888   5.959  -2.528
  581    HA   VAL  76           HA       VAL  76 -18.853   4.414  -0.527
  582    HB   VAL  76           HB       VAL  76 -17.165   5.241  -2.875
  583   1HG1  VAL  76          HG11      VAL  76 -16.409   2.906  -2.745
  584   2HG1  VAL  76          HG12      VAL  76 -17.452   2.658  -1.346
  585   3HG1  VAL  76          HG13      VAL  76 -16.101   3.788  -1.248
  586   1HG2  VAL  76          HG21      VAL  76 -19.422   3.242  -2.871
  587   2HG2  VAL  76          HG22      VAL  76 -18.298   3.533  -4.199
  588   3HG2  VAL  76          HG23      VAL  76 -19.421   4.798  -3.700
  589    H    GLU  77           HN       GLU  77 -17.827   5.030   1.292
  590    HA   GLU  77           HA       GLU  77 -16.274   7.453   1.386
  591   1HB   GLU  77          HB2       GLU  77 -17.590   6.775   3.331
  592   2HB   GLU  77          HB1       GLU  77 -16.665   5.285   3.458
  593   1HG   GLU  77          HG2       GLU  77 -15.899   6.880   5.094
  594   2HG   GLU  77          HG1       GLU  77 -14.640   6.593   3.899
  595    H    ILE  78           HN       ILE  78 -14.445   7.333   0.200
  596    HA   ILE  78           HA       ILE  78 -12.558   5.173   0.870
  597    HB   ILE  78           HB       ILE  78 -13.540   5.944  -1.708
  598   1HG1  ILE  78          HG12      ILE  78 -11.950   3.996  -2.340
  599   2HG1  ILE  78          HG11      ILE  78 -11.675   3.861  -0.606
  600   1HG2  ILE  78          HG21      ILE  78 -10.565   6.273  -1.370
  601   2HG2  ILE  78          HG22      ILE  78 -11.714   7.528  -1.836
  602   3HG2  ILE  78          HG23      ILE  78 -11.409   6.164  -2.915
  603   1HD1  ILE  78          HD11      ILE  78 -14.025   3.457  -0.236
  604   2HD1  ILE  78          HD12      ILE  78 -13.388   2.313  -1.420
  605   3HD1  ILE  78          HD13      ILE  78 -14.359   3.687  -1.952
  606    H    LYS  79           HN       LYS  79 -10.307   5.729   0.826
  607    HA   LYS  79           HA       LYS  79  -9.390   8.393   0.545
  608   1HB   LYS  79          HB2       LYS  79  -8.889   8.877   2.899
  609   2HB   LYS  79          HB1       LYS  79 -10.619   8.738   2.632
  610   1HG   LYS  79          HG2       LYS  79  -8.893   6.540   3.749
  611   2HG   LYS  79          HG1       LYS  79  -9.810   7.683   4.728
  612   1HD   LYS  79          HD2       LYS  79 -11.687   6.728   2.949
  613   2HD   LYS  79          HD1       LYS  79 -10.704   5.305   3.305
  614   1HE   LYS  79          HE2       LYS  79 -11.017   5.741   5.717
  615   2HE   LYS  79          HE1       LYS  79 -12.069   7.095   5.309
  616   1HZ   LYS  79          HZ1       LYS  79 -12.555   4.245   4.632
  617   2HZ   LYS  79          HZ2       LYS  79 -13.552   5.537   4.183
  618   3HZ   LYS  79          HZ3       LYS  79 -13.364   5.141   5.817
  619    H    THR  80           HN       THR  80  -8.925   5.302   2.155
  620    HA   THR  80           HA       THR  80  -6.079   5.519   2.236
  621    HB   THR  80           HB       THR  80  -6.087   3.330   3.171
  622    HG1  THR  80           HG1      THR  80  -8.489   3.112   1.768
  623   1HG2  THR  80          HG21      THR  80  -8.070   3.544   4.823
  624   2HG2  THR  80          HG22      THR  80  -8.390   5.069   3.991
  625   3HG2  THR  80          HG23      THR  80  -6.845   4.814   4.803
  626    H    ASP  81           HN       ASP  81  -7.702   5.483  -0.447
  627    HA   ASP  81           HA       ASP  81  -7.256   4.796  -2.608
  628   1HB   ASP  81          HB2       ASP  81  -4.693   3.919  -1.301
  629   2HB   ASP  81          HB1       ASP  81  -4.960   3.942  -3.041
  630    H    LEU  82           HN       LEU  82  -8.056   2.849  -0.279
  631    HA   LEU  82           HA       LEU  82  -8.818   0.707  -0.106
  632   1HB   LEU  82          HB2       LEU  82  -8.247   0.709  -3.067
  633   2HB   LEU  82          HB1       LEU  82  -9.005  -0.632  -2.233
  634    HG   LEU  82           HG       LEU  82 -10.795   0.510  -3.199
  635   1HD1  LEU  82          HD11      LEU  82 -11.172   0.071  -0.820
  636   2HD1  LEU  82          HD12      LEU  82 -12.043   1.501  -1.371
  637   3HD1  LEU  82          HD13      LEU  82 -10.562   1.679  -0.432
  638   1HD2  LEU  82          HD21      LEU  82  -9.551   2.467  -3.934
  639   2HD2  LEU  82          HD22      LEU  82  -9.554   3.097  -2.287
  640   3HD2  LEU  82          HD23      LEU  82 -11.072   2.929  -3.172
  641    H    SER  83           HN       SER  83  -6.400   1.051   0.854
  642    HA   SER  83           HA       SER  83  -4.610  -0.930  -0.333
  643   1HB   SER  83          HB2       SER  83  -2.967  -0.140   1.335
  644   2HB   SER  83          HB1       SER  83  -3.609   1.193   0.376
  645    HG   SER  83           HG       SER  83  -5.089   1.558   2.150
  646    H    PHE  84           HN       PHE  84  -4.417  -2.934   0.413
  647    HA   PHE  84           HA       PHE  84  -6.081  -4.377   1.858
  648   1HB   PHE  84          HB2       PHE  84  -4.154  -5.421   0.896
  649   2HB   PHE  84          HB1       PHE  84  -3.071  -4.560   1.984
  650    HD1  PHE  84           HD1      PHE  84  -5.484  -7.300   1.695
  651    HD2  PHE  84           HD2      PHE  84  -2.730  -5.293   4.242
  652    HE1  PHE  84           HE1      PHE  84  -5.581  -9.182   3.277
  653    HE2  PHE  84           HE2      PHE  84  -2.821  -7.171   5.829
  654    HZ   PHE  84           HZ       PHE  84  -4.247  -9.119   5.348
  655    H    GLY  85           HN       GLY  85  -6.759  -4.739   3.907
  656   1HA   GLY  85          HA2       GLY  85  -6.810  -4.635   6.220
  657   2HA   GLY  85          HA1       GLY  85  -5.247  -3.832   6.187
  658    H    SER  86           HN       SER  86  -8.429  -2.999   4.798
  659    HA   SER  86           HA       SER  86  -8.691  -0.764   6.603
  660   1HB   SER  86          HB2       SER  86  -8.789   0.948   4.834
  661   2HB   SER  86          HB1       SER  86  -7.194   0.198   4.927
  662    HG   SER  86           HG       SER  86  -9.100   0.084   2.921
  663    H    GLN  87           HN       GLN  87 -10.691   0.329   6.438
  664    HA   GLN  87           HA       GLN  87 -12.732  -1.263   5.042
  665   1HB   GLN  87          HB2       GLN  87 -14.318  -0.420   6.898
  666   2HB   GLN  87          HB1       GLN  87 -13.251  -1.776   7.232
  667   1HG   GLN  87          HG2       GLN  87 -13.224  -0.347   9.101
  668   2HG   GLN  87          HG1       GLN  87 -11.679  -0.197   8.279
  669   1HE2  GLN  87          HE21      GLN  87 -14.616   1.281   7.135
  670   2HE2  GLN  87          HE22      GLN  87 -14.151   2.915   7.450
  671    H    ILE  88           HN       ILE  88 -14.330  -0.242   4.000
  672    HA   ILE  88           HA       ILE  88 -14.181   2.696   3.860
  673    HB   ILE  88           HB       ILE  88 -14.818   2.480   1.433
  674   1HG1  ILE  88          HG12      ILE  88 -13.816  -0.357   1.733
  675   2HG1  ILE  88          HG11      ILE  88 -15.527   0.056   1.676
  676   1HG2  ILE  88          HG21      ILE  88 -12.577   3.094   2.082
  677   2HG2  ILE  88          HG22      ILE  88 -12.506   1.999   0.700
  678   3HG2  ILE  88          HG23      ILE  88 -12.145   1.400   2.320
  679   1HD1  ILE  88          HD11      ILE  88 -13.508   0.567  -0.492
  680   2HD1  ILE  88          HD12      ILE  88 -15.211   1.021  -0.548
  681   3HD1  ILE  88          HD13      ILE  88 -14.753  -0.682  -0.487
  682    H    GLU  89           HN       GLU  89 -15.942   3.009   5.186
  683    HA   GLU  89           HA       GLU  89 -18.341   1.598   5.115
  684   1HB   GLU  89          HB2       GLU  89 -18.588   4.474   5.719
  685   2HB   GLU  89          HB1       GLU  89 -19.086   3.077   6.660
  686   1HG   GLU  89          HG2       GLU  89 -16.813   2.739   7.422
  687   2HG   GLU  89          HG1       GLU  89 -16.266   4.089   6.427
  688    H    PHE  90           HN       PHE  90 -20.434   2.303   4.368
  689    HA   PHE  90           HA       PHE  90 -20.337   3.918   1.908
  690   1HB   PHE  90          HB2       PHE  90 -22.077   1.480   2.329
  691   2HB   PHE  90          HB1       PHE  90 -21.864   2.391   0.840
  692    HD1  PHE  90           HD1      PHE  90 -19.966   2.025  -0.583
  693    HD2  PHE  90           HD2      PHE  90 -20.301   0.006   3.158
  694    HE1  PHE  90           HE1      PHE  90 -18.153   0.505  -1.245
  695    HE2  PHE  90           HE2      PHE  90 -18.486  -1.516   2.495
  696    HZ   PHE  90           HZ       PHE  90 -17.409  -1.268   0.294
  697    H    SER  91           HN       SER  91 -22.165   5.258   1.554
  698    HA   SER  91           HA       SER  91 -24.134   5.276   3.742
  699   1HB   SER  91          HB2       SER  91 -22.752   7.672   2.525
  700   2HB   SER  91          HB1       SER  91 -24.106   7.764   3.652
  701    HG   SER  91           HG       SER  91 -22.795   6.664   5.179
  702    H    CYS  92           HN       CYS  92 -26.124   5.034   3.061
  703    HA   CYS  92           HA       CYS  92 -26.757   5.516   0.262
  704   1HB   CYS  92          HB2       CYS  92 -28.314   4.264   2.528
  705   2HB   CYS  92          HB1       CYS  92 -29.058   4.642   0.979
  706    H    SER  93           HN       SER  93 -27.456   7.414  -0.419
  707    HA   SER  93           HA       SER  93 -27.784   9.676   1.082
  708   1HB   SER  93          HB2       SER  93 -28.969   8.926  -1.583
  709   2HB   SER  93          HB1       SER  93 -29.177  10.531  -0.879
  710    HG   SER  93           HG       SER  93 -26.781  10.497  -0.718
  711    H    GLU  94           HN       GLU  94 -29.752  11.051   1.247
  712    HA   GLU  94           HA       GLU  94 -31.540  10.153   3.087
  713   1HB   GLU  94          HB2       GLU  94 -31.448  12.474   2.720
  714   2HB   GLU  94          HB1       GLU  94 -31.757  12.306   0.998
  715   1HG   GLU  94          HG2       GLU  94 -34.046  11.721   1.413
  716   2HG   GLU  94          HG1       GLU  94 -33.768  11.718   3.154
  717    H    GLY  95           HN       GLY  95 -33.712   9.476   3.056
  718   1HA   GLY  95          HA2       GLY  95 -35.588   8.409   2.248
  719   2HA   GLY  95          HA1       GLY  95 -35.042   8.778   0.620
  720    H    PHE  96           HN       PHE  96 -32.424   7.415   1.035
  721    HA   PHE  96           HA       PHE  96 -33.463   4.665   0.823
  722   1HB   PHE  96          HB2       PHE  96 -30.924   5.620  -0.493
  723   2HB   PHE  96          HB1       PHE  96 -31.873   4.183  -0.857
  724    HD1  PHE  96           HD1      PHE  96 -34.125   4.471  -1.948
  725    HD2  PHE  96           HD2      PHE  96 -31.301   7.636  -1.616
  726    HE1  PHE  96           HE1      PHE  96 -35.292   5.693  -3.737
  727    HE2  PHE  96           HE2      PHE  96 -32.462   8.863  -3.403
  728    HZ   PHE  96           HZ       PHE  96 -34.461   7.893  -4.467
  729    H    PHE  97           HN       PHE  97 -32.654   3.209   2.209
  730    HA   PHE  97           HA       PHE  97 -30.482   4.084   3.966
  731   1HB   PHE  97          HB2       PHE  97 -31.219   2.392   5.525
  732   2HB   PHE  97          HB1       PHE  97 -32.601   3.352   5.017
  733    HD1  PHE  97           HD1      PHE  97 -33.894   2.334   2.921
  734    HD2  PHE  97           HD2      PHE  97 -31.473   0.123   5.634
  735    HE1  PHE  97           HE1      PHE  97 -35.114   0.282   2.330
  736    HE2  PHE  97           HE2      PHE  97 -32.687  -1.934   5.045
  737    HZ   PHE  97           HZ       PHE  97 -34.510  -1.857   3.392
  738    H    LEU  98           HN       LEU  98 -29.043   2.344   4.785
  739    HA   LEU  98           HA       LEU  98 -27.820   1.075   2.481
  740   1HB   LEU  98          HB2       LEU  98 -26.492   2.400   4.098
  741   2HB   LEU  98          HB1       LEU  98 -26.839   1.195   5.326
  742    HG   LEU  98           HG       LEU  98 -25.580   0.302   2.771
  743   1HD1  LEU  98          HD11      LEU  98 -24.079   1.617   5.028
  744   2HD1  LEU  98          HD12      LEU  98 -24.296   2.271   3.404
  745   3HD1  LEU  98          HD13      LEU  98 -23.363   0.793   3.643
  746   1HD2  LEU  98          HD21      LEU  98 -26.267  -1.346   4.424
  747   2HD2  LEU  98          HD22      LEU  98 -25.287  -0.543   5.649
  748   3HD2  LEU  98          HD23      LEU  98 -24.512  -1.311   4.264
  749    H    ILE  99           HN       ILE  99 -27.507  -1.023   2.174
  750    HA   ILE  99           HA       ILE  99 -28.084  -3.051   4.156
  751    HB   ILE  99           HB       ILE  99 -29.498  -3.646   1.666
  752   1HG1  ILE  99          HG12      ILE  99 -30.819  -1.639   3.467
  753   2HG1  ILE  99          HG11      ILE  99 -29.891  -1.138   2.060
  754   1HG2  ILE  99          HG21      ILE  99 -30.314  -3.734   4.567
  755   2HG2  ILE  99          HG22      ILE  99 -29.610  -5.059   3.637
  756   3HG2  ILE  99          HG23      ILE  99 -31.211  -4.445   3.225
  757   1HD1  ILE  99          HD11      ILE  99 -32.190  -1.194   1.462
  758   2HD1  ILE  99          HD12      ILE  99 -32.367  -2.836   2.081
  759   3HD1  ILE  99          HD13      ILE  99 -31.378  -2.532   0.651
  760    H    GLY 100           HN       GLY 100 -25.915  -3.431   3.808
  761   1HA   GLY 100          HA2       GLY 100 -25.177  -5.475   2.131
  762   2HA   GLY 100          HA1       GLY 100 -24.798  -4.004   1.250
  763    H    SER 101           HN       SER 101 -24.594  -4.588   4.709
  764    HA   SER 101           HA       SER 101 -22.875  -4.442   6.196
  765   1HB   SER 101          HB2       SER 101 -21.922  -6.331   4.983
  766   2HB   SER 101          HB1       SER 101 -21.219  -5.241   3.788
  767    HG   SER 101           HG       SER 101 -20.400  -5.814   6.376
  768    H    THR 102           HN       THR 102 -22.659  -2.394   6.863
  769    HA   THR 102           HA       THR 102 -21.974  -0.228   5.182
  770    HB   THR 102           HB       THR 102 -21.809   1.113   7.217
  771    HG1  THR 102           HG1      THR 102 -21.419   0.215   9.104
  772   1HG2  THR 102          HG21      THR 102 -24.047   0.708   8.132
  773   2HG2  THR 102          HG22      THR 102 -24.086  -0.866   7.340
  774   3HG2  THR 102          HG23      THR 102 -24.046   0.608   6.372
  775    H    THR 103           HN       THR 103 -20.017  -2.661   6.257
  776    HA   THR 103           HA       THR 103 -17.680  -0.885   6.094
  777    HB   THR 103           HB       THR 103 -16.464  -2.496   7.481
  778    HG1  THR 103           HG1      THR 103 -17.648  -4.379   7.203
  779   1HG2  THR 103          HG21      THR 103 -17.423  -0.544   8.520
  780   2HG2  THR 103          HG22      THR 103 -17.577  -1.919   9.615
  781   3HG2  THR 103          HG23      THR 103 -18.975  -1.363   8.692
  782    H    SER 104           HN       SER 104 -15.722  -1.887   5.172
  783    HA   SER 104           HA       SER 104 -16.154  -4.293   3.598
  784   1HB   SER 104          HB2       SER 104 -16.876  -2.365   2.143
  785   2HB   SER 104          HB1       SER 104 -15.240  -1.720   2.282
  786    HG   SER 104           HG       SER 104 -14.989  -4.233   1.575
  787    H    ARG 105           HN       ARG 105 -14.432  -5.493   4.111
  788    HA   ARG 105           HA       ARG 105 -11.951  -4.142   4.898
  789   1HB   ARG 105          HB2       ARG 105 -12.721  -7.031   5.311
  790   2HB   ARG 105          HB1       ARG 105 -11.344  -6.197   6.020
  791   1HG   ARG 105          HG2       ARG 105 -12.895  -4.730   7.247
  792   2HG   ARG 105          HG1       ARG 105 -14.250  -5.636   6.572
  793   1HD   ARG 105          HD2       ARG 105 -12.082  -6.700   8.375
  794   2HD   ARG 105          HD1       ARG 105 -13.774  -6.435   8.799
  795    HE   ARG 105           HE       ARG 105 -13.455  -8.220   6.586
  796   1HH1  ARG 105          HH11      ARG 105 -13.413  -7.994  10.063
  797   2HH1  ARG 105          HH12      ARG 105 -13.812  -9.661  10.304
  798   1HH2  ARG 105          HH21      ARG 105 -13.979 -10.416   6.895
  799   2HH2  ARG 105          HH22      ARG 105 -14.134 -11.038   8.503
  800    H    CYS 106           HN       CYS 106  -9.962  -4.684   4.087
  801    HA   CYS 106           HA       CYS 106 -10.007  -5.934   1.440
  802   1HB   CYS 106          HB2       CYS 106  -8.382  -3.818   2.718
  803   2HB   CYS 106          HB1       CYS 106  -7.518  -4.901   1.631
  804    H    GLU 107           HN       GLU 107  -9.378  -7.934   1.268
  805    HA   GLU 107           HA       GLU 107  -7.370  -8.999   3.138
  806   1HB   GLU 107          HB2       GLU 107  -9.804  -9.756   3.453
  807   2HB   GLU 107          HB1       GLU 107  -9.618 -10.607   1.926
  808   1HG   GLU 107          HG2       GLU 107  -9.298 -12.052   3.881
  809   2HG   GLU 107          HG1       GLU 107  -7.877 -11.981   2.839
  810    H    VAL 108           HN       VAL 108  -6.873 -11.391   1.976
  811    HA   VAL 108           HA       VAL 108  -6.250 -10.760  -0.835
  812    HB   VAL 108           HB       VAL 108  -4.361 -12.161   1.039
  813   1HG1  VAL 108          HG11      VAL 108  -4.042 -11.352  -1.864
  814   2HG1  VAL 108          HG12      VAL 108  -4.246 -13.004  -1.272
  815   3HG1  VAL 108          HG13      VAL 108  -2.797 -12.090  -0.853
  816   1HG2  VAL 108          HG21      VAL 108  -4.388  -9.841   1.568
  817   2HG2  VAL 108          HG22      VAL 108  -4.374  -9.392  -0.138
  818   3HG2  VAL 108          HG23      VAL 108  -2.948 -10.131   0.592
  819    H    GLN 109           HN       GLN 109  -6.752 -12.166  -2.275
  820    HA   GLN 109           HA       GLN 109  -6.552 -14.974  -2.051
  821   1HB   GLN 109          HB2       GLN 109  -8.982 -15.511  -2.100
  822   2HB   GLN 109          HB1       GLN 109  -8.462 -14.798  -0.577
  823   1HG   GLN 109          HG2       GLN 109  -9.352 -12.659  -1.221
  824   2HG   GLN 109          HG1       GLN 109  -9.768 -13.278  -2.819
  825   1HE2  GLN 109          HE21      GLN 109 -11.470 -12.089  -0.759
  826   2HE2  GLN 109          HE22      GLN 109 -12.691 -13.263  -0.413
  827    H    ASP 110           HN       ASP 110  -5.991 -12.771  -3.854
  828    HA   ASP 110           HA       ASP 110  -7.024 -13.971  -6.267
  829   1HB   ASP 110          HB2       ASP 110  -7.467 -11.058  -5.605
  830   2HB   ASP 110          HB1       ASP 110  -7.657 -11.737  -7.219
  831    H    ARG 111           HN       ARG 111  -5.949 -10.886  -6.936
  832    HA   ARG 111           HA       ARG 111  -3.407 -11.912  -7.808
  833   1HB   ARG 111          HB2       ARG 111  -4.631  -9.208  -8.229
  834   2HB   ARG 111          HB1       ARG 111  -3.168  -9.788  -9.001
  835   1HG   ARG 111          HG2       ARG 111  -4.447 -11.510 -10.155
  836   2HG   ARG 111          HG1       ARG 111  -5.922 -10.955  -9.358
  837   1HD   ARG 111          HD2       ARG 111  -4.205  -9.341 -11.240
  838   2HD   ARG 111          HD1       ARG 111  -5.762 -10.073 -11.630
  839    HE   ARG 111           HE       ARG 111  -6.050  -8.385  -9.397
  840   1HH1  ARG 111          HH11      ARG 111  -5.528  -8.254 -12.839
  841   2HH1  ARG 111          HH12      ARG 111  -6.227  -6.680 -13.015
  842   1HH2  ARG 111          HH21      ARG 111  -6.968  -6.313  -9.615
  843   2HH2  ARG 111          HH22      ARG 111  -7.044  -5.574 -11.180
  844    H    GLY 112           HN       GLY 112  -3.426 -11.941  -5.155
  845   1HA   GLY 112          HA2       GLY 112  -1.606 -11.381  -3.713
  846   2HA   GLY 112          HA1       GLY 112  -1.476  -9.830  -4.536
  847    H    VAL 113           HN       VAL 113  -4.646 -10.168  -4.306
  848    HA   VAL 113           HA       VAL 113  -5.212  -9.837  -1.592
  849    HB   VAL 113           HB       VAL 113  -4.320  -7.787  -1.332
  850   1HG1  VAL 113          HG11      VAL 113  -3.472  -7.870  -3.712
  851   2HG1  VAL 113          HG12      VAL 113  -3.753  -6.261  -3.039
  852   3HG1  VAL 113          HG13      VAL 113  -4.921  -6.967  -4.159
  853   1HG2  VAL 113          HG21      VAL 113  -6.913  -7.053  -2.664
  854   2HG2  VAL 113          HG22      VAL 113  -5.935  -5.971  -1.671
  855   3HG2  VAL 113          HG23      VAL 113  -6.662  -7.410  -0.955
  856    H    GLY 114           HN       GLY 114  -7.367  -9.844  -1.160
  857   1HA   GLY 114          HA2       GLY 114  -9.129  -9.704  -3.516
  858   2HA   GLY 114          HA1       GLY 114  -9.319 -10.904  -2.249
  859    H    TRP 115           HN       TRP 115 -11.260  -8.852  -3.212
  860    HA   TRP 115           HA       TRP 115 -11.432  -6.976  -1.028
  861   1HB   TRP 115          HB2       TRP 115 -12.649  -7.181  -3.623
  862   2HB   TRP 115          HB1       TRP 115 -13.908  -7.044  -2.407
  863    HD1  TRP 115           HD1      TRP 115 -12.473  -4.835  -4.643
  864    HE1  TRP 115           HE1      TRP 115 -12.154  -2.451  -3.722
  865    HE3  TRP 115           HE3      TRP 115 -12.823  -5.830   0.361
  866    HZ2  TRP 115           HZ2      TRP 115 -12.058  -1.167  -1.222
  867    HZ3  TRP 115           HZ3      TRP 115 -12.603  -3.964   1.948
  868    HH2  TRP 115           HH2      TRP 115 -12.228  -1.682   1.173
  869    H    SER 116           HN       SER 116 -13.860  -6.813  -0.110
  870    HA   SER 116           HA       SER 116 -14.528  -9.506   0.886
  871   1HB   SER 116          HB2       SER 116 -13.535  -8.115   2.645
  872   2HB   SER 116          HB1       SER 116 -14.741  -6.863   2.350
  873    HG   SER 116           HG       SER 116 -15.192  -9.491   3.316
  874    H    HIS 117           HN       HIS 117 -15.788  -6.306   0.067
  875    HA   HIS 117           HA       HIS 117 -18.141  -7.365  -1.124
  876   1HB   HIS 117          HB2       HIS 117 -18.697  -7.566   1.322
  877   2HB   HIS 117          HB1       HIS 117 -18.573  -5.814   1.435
  878    HD1  HIS 117           HD1      HIS 117 -20.725  -8.526  -0.012
  879    HD2  HIS 117           HD2      HIS 117 -20.751  -4.398   0.459
  880    HE1  HIS 117           HE1      HIS 117 -23.051  -7.794  -0.628
  881    HE2  HIS 117           HE2      HIS 117 -23.068  -5.303  -0.250
  882    HA   PRO 118           HA       PRO 118 -17.660  -3.289  -2.816
  883   1HB   PRO 118          HB2       PRO 118 -19.410  -3.531  -4.850
  884   2HB   PRO 118          HB1       PRO 118 -17.869  -4.390  -4.822
  885   1HG   PRO 118          HG2       PRO 118 -20.601  -5.421  -4.434
  886   2HG   PRO 118          HG1       PRO 118 -19.140  -6.275  -4.950
  887   1HD   PRO 118          HD2       PRO 118 -20.322  -6.202  -2.337
  888   2HD   PRO 118          HD1       PRO 118 -18.855  -7.059  -2.851
  889    H    LEU 119           HN       LEU 119 -19.848  -2.067  -4.214
  890    HA   LEU 119           HA       LEU 119 -20.995  -0.458  -2.274
  891   1HB   LEU 119          HB2       LEU 119 -22.291  -1.010  -4.922
  892   2HB   LEU 119          HB1       LEU 119 -22.246   0.480  -4.010
  893    HG   LEU 119           HG       LEU 119 -20.760   0.964  -5.688
  894   1HD1  LEU 119          HD11      LEU 119 -19.646   1.276  -3.543
  895   2HD1  LEU 119          HD12      LEU 119 -18.499   0.861  -4.816
  896   3HD1  LEU 119          HD13      LEU 119 -18.994  -0.361  -3.643
  897   1HD2  LEU 119          HD21      LEU 119 -19.175  -0.631  -6.659
  898   2HD2  LEU 119          HD22      LEU 119 -20.847  -1.169  -6.808
  899   3HD2  LEU 119          HD23      LEU 119 -19.798  -1.883  -5.584
  900    HA   PRO 120           HA       PRO 120 -24.207  -3.120  -0.662
  901   1HB   PRO 120          HB2       PRO 120 -25.455  -1.275   0.873
  902   2HB   PRO 120          HB1       PRO 120 -23.905  -1.992   1.329
  903   1HG   PRO 120          HG2       PRO 120 -24.462   0.650   0.027
  904   2HG   PRO 120          HG1       PRO 120 -23.351   0.273   1.358
  905   1HD   PRO 120          HD2       PRO 120 -22.509   0.577  -1.198
  906   2HD   PRO 120          HD1       PRO 120 -21.728  -0.543  -0.063
  907    H    GLN 121           HN       GLN 121 -26.753  -2.349  -0.099
  908    HA   GLN 121           HA       GLN 121 -27.789  -1.554  -2.736
  909   1HB   GLN 121          HB2       GLN 121 -28.331  -3.859  -1.907
  910   2HB   GLN 121          HB1       GLN 121 -29.212  -3.119  -0.579
  911   1HG   GLN 121          HG2       GLN 121 -30.740  -2.069  -2.142
  912   2HG   GLN 121          HG1       GLN 121 -29.840  -2.745  -3.499
  913   1HE2  GLN 121          HE21      GLN 121 -29.378  -5.278  -2.110
  914   2HE2  GLN 121          HE22      GLN 121 -30.879  -6.129  -2.166
  915    H    CYS 122           HN       CYS 122 -28.622   0.430  -2.847
  916    HA   CYS 122           HA       CYS 122 -29.636   1.655  -0.379
  917   1HB   CYS 122          HB2       CYS 122 -28.742   2.887  -2.993
  918   2HB   CYS 122          HB1       CYS 122 -29.484   3.800  -1.684
  919    H    GLU 123           HN       GLU 123 -31.769   1.336  -0.123
  920    HA   GLU 123           HA       GLU 123 -33.520   1.755  -2.457
  921   1HB   GLU 123          HB2       GLU 123 -33.339  -0.663  -1.913
  922   2HB   GLU 123          HB1       GLU 123 -33.908  -0.313  -0.287
  923   1HG   GLU 123          HG2       GLU 123 -35.717  -1.165  -1.622
  924   2HG   GLU 123          HG1       GLU 123 -36.018   0.526  -1.225
  925    H    ILE 124           HN       ILE 124 -35.486   2.696  -2.074
  926    HA   ILE 124           HA       ILE 124 -35.520   4.705  -0.109
  927    HB   ILE 124           HB       ILE 124 -36.741   4.854  -2.251
  928   1HG1  ILE 124          HG12      ILE 124 -38.928   5.724  -1.252
  929   2HG1  ILE 124          HG11      ILE 124 -38.305   5.188   0.306
  930   1HG2  ILE 124          HG21      ILE 124 -38.839   3.700  -2.577
  931   2HG2  ILE 124          HG22      ILE 124 -38.676   2.908  -1.011
  932   3HG2  ILE 124          HG23      ILE 124 -37.545   2.532  -2.310
  933   1HD1  ILE 124          HD11      ILE 124 -36.989   7.194  -1.507
  934   2HD1  ILE 124          HD12      ILE 124 -36.401   6.677   0.072
  935   3HD1  ILE 124          HD13      ILE 124 -37.921   7.562  -0.057
  936    H    LEU 125           HN       LEU 125 -36.624   4.908   1.815
  937    HA   LEU 125           HA       LEU 125 -37.005   2.585   3.361
  938   1HB   LEU 125          HB2       LEU 125 -37.835   5.448   3.795
  939   2HB   LEU 125          HB1       LEU 125 -38.089   4.193   4.991
  940    HG   LEU 125           HG       LEU 125 -35.398   5.052   3.921
  941   1HD1  LEU 125          HD11      LEU 125 -36.344   6.808   5.260
  942   2HD1  LEU 125          HD12      LEU 125 -35.092   5.990   6.194
  943   3HD1  LEU 125          HD13      LEU 125 -36.793   5.660   6.521
  944   1HD2  LEU 125          HD21      LEU 125 -34.502   3.686   5.746
  945   2HD2  LEU 125          HD22      LEU 125 -35.424   2.717   4.599
  946   3HD2  LEU 125          HD23      LEU 125 -36.135   3.160   6.150
  947    H    GLU 126           HN       GLU 126 -39.372   4.916   2.069
  948    HA   GLU 126           HA       GLU 126 -41.611   3.299   2.828
  949   1HB   GLU 126          HB2       GLU 126 -41.838   5.718   2.693
  950   2HB   GLU 126          HB1       GLU 126 -41.417   5.689   0.986
  951   1HG   GLU 126          HG2       GLU 126 -43.449   4.379   0.530
  952   2HG   GLU 126          HG1       GLU 126 -43.878   4.490   2.237
  953    H    HIS 127           HN       HIS 127 -42.416   1.613   1.779
  954    HA   HIS 127           HA       HIS 127 -42.865   0.075   0.168
  955   1HB   HIS 127          HB2       HIS 127 -42.445   2.449  -1.658
  956   2HB   HIS 127          HB1       HIS 127 -43.079   0.893  -2.184
  957    HD1  HIS 127           HD1      HIS 127 -44.191   4.111  -1.144
  958    HD2  HIS 127           HD2      HIS 127 -45.558   0.226  -0.593
  959    HE1  HIS 127           HE1      HIS 127 -46.613   4.335  -0.507
  960    HE2  HIS 127           HE2      HIS 127 -47.397   1.975  -0.097
  961    H    HIS 128           HN       HIS 128 -41.909  -0.884  -1.977
  962    HA   HIS 128           HA       HIS 128 -39.197  -0.459  -2.604
  963   1HB   HIS 128          HB2       HIS 128 -38.279  -2.578  -1.613
  964   2HB   HIS 128          HB1       HIS 128 -38.670  -1.332  -0.434
  965    HD1  HIS 128           HD1      HIS 128 -40.659  -1.782   1.159
  966    HD2  HIS 128           HD2      HIS 128 -39.828  -4.902  -1.457
  967    HE1  HIS 128           HE1      HIS 128 -41.952  -3.754   2.033
  968    HE2  HIS 128           HE2      HIS 128 -41.401  -5.643   0.459
  969    H    HIS 129           HN       HIS 129 -42.146  -2.056  -2.877
  970    HA   HIS 129           HA       HIS 129 -41.464  -4.251  -4.510
  971   1HB   HIS 129          HB2       HIS 129 -44.025  -2.649  -4.358
  972   2HB   HIS 129          HB1       HIS 129 -43.855  -4.184  -5.204
  973    HD1  HIS 129           HD1      HIS 129 -44.170  -2.714  -1.798
  974    HD2  HIS 129           HD2      HIS 129 -43.666  -6.451  -3.542
  975    HE1  HIS 129           HE1      HIS 129 -44.614  -4.377   0.035
  976    HE2  HIS 129           HE2      HIS 129 -44.253  -6.631  -1.029
  977    H    HIS 130           HN       HIS 130 -43.044  -1.222  -5.542
  978    HA   HIS 130           HA       HIS 130 -41.288  -1.080  -7.854
  979   1HB   HIS 130          HB2       HIS 130 -43.194  -0.891  -9.434
  980   2HB   HIS 130          HB1       HIS 130 -43.074  -2.485  -8.698
  981    HD1  HIS 130           HD1      HIS 130 -45.095   0.705  -8.385
  982    HD2  HIS 130           HD2      HIS 130 -45.339  -3.335  -7.437
  983    HE1  HIS 130           HE1      HIS 130 -47.440   0.351  -7.546
  984    HE2  HIS 130           HE2      HIS 130 -47.579  -2.107  -7.016
  985    H    HIS 131           HN       HIS 131 -41.825   0.922  -9.188
  986    HA   HIS 131           HA       HIS 131 -42.917   3.068  -7.504
  987   1HB   HIS 131          HB2       HIS 131 -40.316   3.207  -9.044
  988   2HB   HIS 131          HB1       HIS 131 -41.063   4.545  -8.176
  989    HD1  HIS 131           HD1      HIS 131 -38.843   1.664  -7.723
  990    HD2  HIS 131           HD2      HIS 131 -41.071   4.204  -5.307
  991    HE1  HIS 131           HE1      HIS 131 -37.945   1.337  -5.397
  992    HE2  HIS 131           HE2      HIS 131 -39.272   2.924  -3.960
  993    H    HIS 132           HN       HIS 132 -43.270   5.107  -8.798
  994    HA   HIS 132           HA       HIS 132 -44.401   6.160 -10.465
  995   1HB   HIS 132          HB2       HIS 132 -42.245   5.861 -11.625
  996   2HB   HIS 132          HB1       HIS 132 -42.792   4.299 -12.229
  997    HD1  HIS 132           HD1      HIS 132 -44.202   4.292 -14.319
  998    HD2  HIS 132           HD2      HIS 132 -43.613   8.108 -12.783
  999    HE1  HIS 132           HE1      HIS 132 -45.083   5.865 -16.071
 1000    HE2  HIS 132           HE2      HIS 132 -44.812   8.163 -15.074
  Start of MODEL   33
    1   1H    MET   0           HT1      MET   0  34.365  -2.216  -4.217
    2   2H    MET   0           HT2      MET   0  36.005  -1.830  -4.072
    3   3H    MET   0           HT3      MET   0  34.999  -0.889  -5.052
    4    HA   MET   0           HA       MET   0  34.784  -1.156  -2.110
    5   1HB   MET   0          HB2       MET   0  36.760   0.129  -2.848
    6   2HB   MET   0          HB1       MET   0  35.716   1.172  -3.804
    7   1HG   MET   0          HG2       MET   0  34.607   1.938  -1.776
    8   2HG   MET   0          HG1       MET   0  35.632   0.878  -0.810
    9   1HE   MET   0          HE1       MET   0  36.373   2.923   0.720
   10   2HE   MET   0          HE2       MET   0  35.324   3.984  -0.221
   11   3HE   MET   0          HE3       MET   0  37.001   4.441   0.078
   12    H    ASN   1           HN       ASN   1  32.906  -0.540  -1.266
   13    HA   ASN   1           HA       ASN   1  30.799   0.267  -1.046
   14   1HB   ASN   1          HB2       ASN   1  31.866   2.154  -3.128
   15   2HB   ASN   1          HB1       ASN   1  30.196   2.256  -2.573
   16   1HD2  ASN   1          HD21      ASN   1  29.781   2.771  -0.424
   17   2HD2  ASN   1          HD22      ASN   1  30.947   3.572   0.565
   18    H    CYS   2           HN       CYS   2  28.659   0.363  -2.086
   19    HA   CYS   2           HA       CYS   2  28.495  -1.696  -4.136
   20   1HB   CYS   2          HB2       CYS   2  26.433  -0.409  -2.354
   21   2HB   CYS   2          HB1       CYS   2  26.010  -1.540  -3.637
   22    H    GLY   3           HN       GLY   3  28.727   1.599  -4.196
   23   1HA   GLY   3          HA2       GLY   3  28.620   2.878  -6.180
   24   2HA   GLY   3          HA1       GLY   3  27.507   1.695  -6.854
   25    HA   PRO   4           HA       PRO   4  25.509   5.780  -5.037
   26   1HB   PRO   4          HB2       PRO   4  24.683   5.771  -7.917
   27   2HB   PRO   4          HB1       PRO   4  24.982   7.140  -6.839
   28   1HG   PRO   4          HG2       PRO   4  26.816   6.439  -8.619
   29   2HG   PRO   4          HG1       PRO   4  27.300   6.907  -6.978
   30   1HD   PRO   4          HD2       PRO   4  27.172   4.194  -8.216
   31   2HD   PRO   4          HD1       PRO   4  28.313   4.838  -7.017
   32    HA   PRO   5           HA       PRO   5  22.005   3.160  -4.226
   33   1HB   PRO   5          HB2       PRO   5  20.705   5.787  -3.692
   34   2HB   PRO   5          HB1       PRO   5  20.764   4.333  -2.690
   35   1HG   PRO   5          HG2       PRO   5  22.290   6.422  -2.102
   36   2HG   PRO   5          HG1       PRO   5  22.926   4.774  -1.951
   37   1HD   PRO   5          HD2       PRO   5  23.418   6.811  -4.082
   38   2HD   PRO   5          HD1       PRO   5  24.546   5.650  -3.351
   39    HA   PRO   6           HA       PRO   6  20.070   3.621  -8.300
   40   1HB   PRO   6          HB2       PRO   6  18.644   1.277  -8.014
   41   2HB   PRO   6          HB1       PRO   6  20.292   1.367  -8.642
   42   1HG   PRO   6          HG2       PRO   6  19.331   0.660  -5.902
   43   2HG   PRO   6          HG1       PRO   6  20.654  -0.049  -6.847
   44   1HD   PRO   6          HD2       PRO   6  21.103   1.688  -4.847
   45   2HD   PRO   6          HD1       PRO   6  22.119   1.647  -6.302
   46    H    THR   7           HN       THR   7  17.745   3.040  -8.928
   47    HA   THR   7           HA       THR   7  15.952   4.502  -7.129
   48    HB   THR   7           HB       THR   7  16.202   5.396  -9.407
   49    HG1  THR   7           HG1      THR   7  13.624   4.246  -8.995
   50   1HG2  THR   7          HG21      THR   7  15.255   4.150 -11.316
   51   2HG2  THR   7          HG22      THR   7  15.045   2.746 -10.270
   52   3HG2  THR   7          HG23      THR   7  16.665   3.347 -10.622
   53    H    LEU   8           HN       LEU   8  14.273   3.473  -6.173
   54    HA   LEU   8           HA       LEU   8  13.691   0.737  -7.070
   55   1HB   LEU   8          HB2       LEU   8  13.287   1.886  -4.312
   56   2HB   LEU   8          HB1       LEU   8  13.075   0.212  -4.794
   57    HG   LEU   8           HG       LEU   8  15.592   0.343  -5.441
   58   1HD1  LEU   8          HD11      LEU   8  16.878   1.883  -4.039
   59   2HD1  LEU   8          HD12      LEU   8  15.376   2.632  -3.498
   60   3HD1  LEU   8          HD13      LEU   8  15.853   2.738  -5.192
   61   1HD2  LEU   8          HD21      LEU   8  16.221  -0.292  -3.153
   62   2HD2  LEU   8          HD22      LEU   8  14.716  -1.058  -3.660
   63   3HD2  LEU   8          HD23      LEU   8  14.676   0.326  -2.569
   64    H    SER   9           HN       SER   9  11.427   0.187  -5.796
   65    HA   SER   9           HA       SER   9   9.498   2.269  -6.553
   66   1HB   SER   9          HB2       SER   9   9.301  -0.664  -7.281
   67   2HB   SER   9          HB1       SER   9   8.041   0.539  -7.558
   68    HG   SER   9           HG       SER   9   9.464   0.091  -9.384
   69    H    PHE  10           HN       PHE  10  10.187  -0.658  -4.722
   70    HA   PHE  10           HA       PHE  10   7.745  -0.618  -3.273
   71   1HB   PHE  10          HB2       PHE  10  10.202  -1.927  -2.195
   72   2HB   PHE  10          HB1       PHE  10   8.531  -2.454  -2.100
   73    HD1  PHE  10           HD1      PHE  10   7.414  -3.322  -4.185
   74    HD2  PHE  10           HD2      PHE  10  11.612  -2.691  -3.903
   75    HE1  PHE  10           HE1      PHE  10   7.762  -4.807  -6.116
   76    HE2  PHE  10           HE2      PHE  10  11.968  -4.175  -5.833
   77    HZ   PHE  10           HZ       PHE  10  10.042  -5.235  -6.943
   78    H    ALA  11           HN       ALA  11  10.623   1.174  -3.062
   79    HA   ALA  11           HA       ALA  11   9.591   2.527  -0.690
   80   1HB   ALA  11          HB1       ALA  11  11.749   2.407   0.453
   81   2HB   ALA  11          HB2       ALA  11  12.355   1.344  -0.818
   82   3HB   ALA  11          HB3       ALA  11  11.031   0.813   0.219
   83    H    ALA  12           HN       ALA  12  10.413   4.579  -0.348
   84    HA   ALA  12           HA       ALA  12  12.137   5.698  -2.458
   85   1HB   ALA  12          HB1       ALA  12  10.835   7.763  -2.319
   86   2HB   ALA  12          HB2       ALA  12   9.784   7.024  -1.112
   87   3HB   ALA  12          HB3       ALA  12   9.815   6.393  -2.759
   88    HA   PRO  13           HA       PRO  13  15.034   7.090   0.569
   89   1HB   PRO  13          HB2       PRO  13  14.769   9.747  -0.772
   90   2HB   PRO  13          HB1       PRO  13  16.224   8.837  -0.357
   91   1HG   PRO  13          HG2       PRO  13  15.324   8.911  -2.869
   92   2HG   PRO  13          HG1       PRO  13  16.033   7.434  -2.190
   93   1HD   PRO  13          HD2       PRO  13  13.188   8.080  -2.764
   94   2HD   PRO  13          HD1       PRO  13  14.021   6.513  -2.792
   95    H    MET  14           HN       MET  14  15.037   8.116   2.543
   96    HA   MET  14           HA       MET  14  13.137  10.213   3.124
   97   1HB   MET  14          HB2       MET  14  11.780   8.157   3.335
   98   2HB   MET  14          HB1       MET  14  12.913   7.551   4.534
   99   1HG   MET  14          HG2       MET  14  10.965   8.433   5.625
  100   2HG   MET  14          HG1       MET  14  12.359   9.448   5.991
  101   1HE   MET  14          HE1       MET  14  10.654  11.339   6.873
  102   2HE   MET  14          HE2       MET  14   9.303  10.281   6.463
  103   3HE   MET  14          HE3       MET  14   9.316  11.953   5.902
  104    H    ASP  15           HN       ASP  15  15.982   8.505   3.738
  105    HA   ASP  15           HA       ASP  15  16.666  10.375   5.867
  106   1HB   ASP  15          HB2       ASP  15  15.726   8.224   6.876
  107   2HB   ASP  15          HB1       ASP  15  17.178   7.434   6.276
  108    H    ILE  16           HN       ILE  16  17.458   9.367   2.996
  109    HA   ILE  16           HA       ILE  16  20.343   9.283   3.551
  110    HB   ILE  16           HB       ILE  16  19.863   7.203   2.567
  111   1HG1  ILE  16          HG12      ILE  16  20.727   9.050   0.330
  112   2HG1  ILE  16          HG11      ILE  16  21.788   8.361   1.554
  113   1HG2  ILE  16          HG21      ILE  16  18.205   8.674   0.528
  114   2HG2  ILE  16          HG22      ILE  16  17.595   7.677   1.848
  115   3HG2  ILE  16          HG23      ILE  16  18.515   6.939   0.536
  116   1HD1  ILE  16          HD11      ILE  16  21.962   7.179  -0.561
  117   2HD1  ILE  16          HD12      ILE  16  20.240   6.801  -0.496
  118   3HD1  ILE  16          HD13      ILE  16  21.337   6.132   0.712
  119    H    THR  17           HN       THR  17  17.858  10.487   1.446
  120    HA   THR  17           HA       THR  17  17.771  12.222  -0.042
  121    HB   THR  17           HB       THR  17  20.229  13.441   1.085
  122    HG1  THR  17           HG1      THR  17  17.996  12.710   2.572
  123   1HG2  THR  17          HG21      THR  17  17.490  14.550   0.469
  124   2HG2  THR  17          HG22      THR  17  18.886  14.610  -0.606
  125   3HG2  THR  17          HG23      THR  17  18.911  15.490   0.922
  126    H    LEU  18           HN       LEU  18  18.316  11.414  -2.002
  127    HA   LEU  18           HA       LEU  18  20.805  10.347  -2.674
  128   1HB   LEU  18          HB2       LEU  18  18.307  10.897  -3.983
  129   2HB   LEU  18          HB1       LEU  18  19.645  11.294  -5.042
  130    HG   LEU  18           HG       LEU  18  18.988   9.030  -5.486
  131   1HD1  LEU  18          HD11      LEU  18  21.371   9.438  -5.566
  132   2HD1  LEU  18          HD12      LEU  18  21.063   7.816  -4.944
  133   3HD1  LEU  18          HD13      LEU  18  21.510   9.117  -3.837
  134   1HD2  LEU  18          HD21      LEU  18  19.400   8.482  -2.549
  135   2HD2  LEU  18          HD22      LEU  18  18.941   7.307  -3.782
  136   3HD2  LEU  18          HD23      LEU  18  17.836   8.613  -3.354
  137    H    THR  19           HN       THR  19  22.371  11.824  -1.987
  138    HA   THR  19           HA       THR  19  22.886  13.974  -3.898
  139    HB   THR  19           HB       THR  19  23.282  15.640  -2.263
  140    HG1  THR  19           HG1      THR  19  23.099  13.503  -0.398
  141   1HG2  THR  19          HG21      THR  19  20.778  14.087  -1.605
  142   2HG2  THR  19          HG22      THR  19  20.942  15.488  -2.667
  143   3HG2  THR  19          HG23      THR  19  21.134  15.677  -0.925
  144    H    GLU  20           HN       GLU  20  23.907  11.522  -1.760
  145    HA   GLU  20           HA       GLU  20  26.710  12.248  -1.794
  146   1HB   GLU  20          HB2       GLU  20  25.174   9.917  -0.672
  147   2HB   GLU  20          HB1       GLU  20  26.932   9.955  -0.677
  148   1HG   GLU  20          HG2       GLU  20  26.898  11.994   0.655
  149   2HG   GLU  20          HG1       GLU  20  25.135  11.977   0.644
  150    H    THR  21           HN       THR  21  27.917   9.760  -2.095
  151    HA   THR  21           HA       THR  21  27.266   9.037  -4.874
  152    HB   THR  21           HB       THR  21  29.739   8.816  -5.282
  153    HG1  THR  21           HG1      THR  21  30.122   9.019  -2.866
  154   1HG2  THR  21          HG21      THR  21  28.661  11.569  -4.666
  155   2HG2  THR  21          HG22      THR  21  28.482  10.693  -6.187
  156   3HG2  THR  21          HG23      THR  21  30.077  11.230  -5.661
  157    H    ARG  22           HN       ARG  22  29.191   8.054  -2.023
  158    HA   ARG  22           HA       ARG  22  28.685   5.256  -2.797
  159   1HB   ARG  22          HB2       ARG  22  31.161   6.368  -1.492
  160   2HB   ARG  22          HB1       ARG  22  30.856   4.671  -1.826
  161   1HG   ARG  22          HG2       ARG  22  30.794   5.162  -4.227
  162   2HG   ARG  22          HG1       ARG  22  31.136   6.858  -3.877
  163   1HD   ARG  22          HD2       ARG  22  32.929   4.543  -3.155
  164   2HD   ARG  22          HD1       ARG  22  33.143   5.588  -4.558
  165    HE   ARG  22           HE       ARG  22  33.022   7.073  -2.125
  166   1HH1  ARG  22          HH11      ARG  22  35.116   5.142  -4.134
  167   2HH1  ARG  22          HH12      ARG  22  36.570   5.889  -3.560
  168   1HH2  ARG  22          HH21      ARG  22  34.934   8.062  -1.365
  169   2HH2  ARG  22          HH22      ARG  22  36.466   7.547  -1.987
  170    H    PHE  23           HN       PHE  23  28.637   3.721  -1.015
  171    HA   PHE  23           HA       PHE  23  28.272   4.773   1.676
  172   1HB   PHE  23          HB2       PHE  23  26.102   3.229   0.229
  173   2HB   PHE  23          HB1       PHE  23  26.079   3.659   1.935
  174    HD1  PHE  23           HD1      PHE  23  25.184   5.689   2.632
  175    HD2  PHE  23           HD2      PHE  23  26.185   5.126  -1.462
  176    HE1  PHE  23           HE1      PHE  23  24.114   7.834   2.078
  177    HE2  PHE  23           HE2      PHE  23  25.134   7.266  -2.024
  178    HZ   PHE  23           HZ       PHE  23  24.084   8.627  -0.254
  179    H    LYS  24           HN       LYS  24  29.671   3.525   2.765
  180    HA   LYS  24           HA       LYS  24  30.787   1.146   2.006
  181   1HB   LYS  24          HB2       LYS  24  31.102   0.763   4.547
  182   2HB   LYS  24          HB1       LYS  24  31.858   2.151   3.784
  183   1HG   LYS  24          HG2       LYS  24  30.030   3.576   4.577
  184   2HG   LYS  24          HG1       LYS  24  29.288   2.176   5.354
  185   1HD   LYS  24          HD2       LYS  24  31.223   1.914   6.794
  186   2HD   LYS  24          HD1       LYS  24  32.039   3.248   5.977
  187   1HE   LYS  24          HE2       LYS  24  29.478   3.443   7.558
  188   2HE   LYS  24          HE1       LYS  24  31.072   3.958   8.107
  189   1HZ   LYS  24          HZ1       LYS  24  29.575   5.086   5.804
  190   2HZ   LYS  24          HZ2       LYS  24  31.125   5.561   6.285
  191   3HZ   LYS  24          HZ3       LYS  24  29.805   5.831   7.306
  192    H    THR  25           HN       THR  25  30.649  -0.981   3.184
  193    HA   THR  25           HA       THR  25  28.130  -2.146   2.648
  194    HB   THR  25           HB       THR  25  29.285  -4.067   4.048
  195    HG1  THR  25           HG1      THR  25  31.645  -3.779   3.470
  196   1HG2  THR  25          HG21      THR  25  28.704  -4.167   1.659
  197   2HG2  THR  25          HG22      THR  25  30.278  -4.899   1.970
  198   3HG2  THR  25          HG23      THR  25  30.178  -3.280   1.274
  199    H    GLY  26           HN       GLY  26  29.145  -0.404   5.291
  200   1HA   GLY  26          HA2       GLY  26  27.518  -1.930   7.197
  201   2HA   GLY  26          HA1       GLY  26  28.619  -0.621   7.600
  202    H    THR  27           HN       THR  27  27.317   0.746   5.151
  203    HA   THR  27           HA       THR  27  25.624   2.475   6.586
  204    HB   THR  27           HB       THR  27  26.804   2.901   4.338
  205    HG1  THR  27           HG1      THR  27  24.088   3.729   4.412
  206   1HG2  THR  27          HG21      THR  27  25.832   2.247   2.362
  207   2HG2  THR  27          HG22      THR  27  24.221   2.112   3.076
  208   3HG2  THR  27          HG23      THR  27  25.428   0.858   3.373
  209    H    THR  28           HN       THR  28  23.314   2.903   6.110
  210    HA   THR  28           HA       THR  28  21.719   0.759   5.060
  211    HB   THR  28           HB       THR  28  21.556   1.379   8.017
  212    HG1  THR  28           HG1      THR  28  23.166  -0.104   7.704
  213   1HG2  THR  28          HG21      THR  28  19.876  -0.503   6.356
  214   2HG2  THR  28          HG22      THR  28  19.336   1.047   6.997
  215   3HG2  THR  28          HG23      THR  28  19.759  -0.262   8.099
  216    H    LEU  29           HN       LEU  29  20.093   1.658   4.044
  217    HA   LEU  29           HA       LEU  29  19.407   4.425   4.581
  218   1HB   LEU  29          HB2       LEU  29  18.586   2.511   2.401
  219   2HB   LEU  29          HB1       LEU  29  17.965   4.143   2.530
  220    HG   LEU  29           HG       LEU  29  20.251   5.029   2.241
  221   1HD1  LEU  29          HD11      LEU  29  21.003   2.144   1.808
  222   2HD1  LEU  29          HD12      LEU  29  21.500   3.154   3.165
  223   3HD1  LEU  29          HD13      LEU  29  22.050   3.536   1.534
  224   1HD2  LEU  29          HD21      LEU  29  18.859   4.815   0.289
  225   2HD2  LEU  29          HD22      LEU  29  19.309   3.120   0.108
  226   3HD2  LEU  29          HD23      LEU  29  20.516   4.384  -0.133
  227    H    LYS  30           HN       LYS  30  17.106   5.088   4.657
  228    HA   LYS  30           HA       LYS  30  15.597   3.292   6.388
  229   1HB   LYS  30          HB2       LYS  30  16.020   5.893   6.689
  230   2HB   LYS  30          HB1       LYS  30  14.610   6.011   5.643
  231   1HG   LYS  30          HG2       LYS  30  14.652   4.429   8.201
  232   2HG   LYS  30          HG1       LYS  30  14.131   6.111   8.094
  233   1HD   LYS  30          HD2       LYS  30  12.357   5.507   6.566
  234   2HD   LYS  30          HD1       LYS  30  12.918   3.833   6.533
  235   1HE   LYS  30          HE2       LYS  30  10.981   4.103   8.001
  236   2HE   LYS  30          HE1       LYS  30  12.410   3.596   8.899
  237   1HZ   LYS  30          HZ1       LYS  30  11.219   5.332  10.069
  238   2HZ   LYS  30          HZ2       LYS  30  11.358   6.368   8.740
  239   3HZ   LYS  30          HZ3       LYS  30  12.741   5.892   9.589
  240    H    TYR  31           HN       TYR  31  14.484   5.585   3.933
  241    HA   TYR  31           HA       TYR  31  13.065   5.407   2.182
  242   1HB   TYR  31          HB2       TYR  31  14.179   2.652   2.354
  243   2HB   TYR  31          HB1       TYR  31  12.774   2.911   1.324
  244    HD1  TYR  31           HD1      TYR  31  15.914   4.826   2.023
  245    HD2  TYR  31           HD2      TYR  31  13.350   3.093  -0.896
  246    HE1  TYR  31           HE1      TYR  31  17.386   5.662   0.242
  247    HE2  TYR  31           HE2      TYR  31  14.816   3.924  -2.685
  248    HH   TYR  31           HH       TYR  31  17.927   5.129  -2.102
  249    H    THR  32           HN       THR  32  10.931   5.319   1.870
  250    HA   THR  32           HA       THR  32   9.323   3.802   3.821
  251    HB   THR  32           HB       THR  32   8.854   5.982   4.411
  252    HG1  THR  32           HG1      THR  32   6.787   5.774   4.067
  253   1HG2  THR  32          HG21      THR  32   8.926   6.759   1.494
  254   2HG2  THR  32          HG22      THR  32  10.208   7.045   2.670
  255   3HG2  THR  32          HG23      THR  32   8.650   7.854   2.849
  256    H    CYS  33           HN       CYS  33   7.231   3.034   3.076
  257    HA   CYS  33           HA       CYS  33   7.339   2.314   0.234
  258   1HB   CYS  33          HB2       CYS  33   5.286   0.990   1.830
  259   2HB   CYS  33          HB1       CYS  33   6.542   0.296   0.810
  260    H    LEU  34           HN       LEU  34   5.930   2.860  -1.162
  261    HA   LEU  34           HA       LEU  34   4.298   5.057  -0.994
  262   1HB   LEU  34          HB2       LEU  34   3.755   2.727  -2.824
  263   2HB   LEU  34          HB1       LEU  34   3.363   4.414  -3.101
  264    HG   LEU  34           HG       LEU  34   6.191   3.379  -2.859
  265   1HD1  LEU  34          HD11      LEU  34   5.170   2.343  -4.784
  266   2HD1  LEU  34          HD12      LEU  34   6.293   3.599  -5.306
  267   3HD1  LEU  34          HD13      LEU  34   4.556   3.903  -5.336
  268   1HD2  LEU  34          HD21      LEU  34   5.110   5.979  -3.940
  269   2HD2  LEU  34          HD22      LEU  34   6.808   5.509  -3.827
  270   3HD2  LEU  34          HD23      LEU  34   5.865   5.763  -2.359
  271    HA   PRO  35           HA       PRO  35   0.539   4.309   1.093
  272   1HB   PRO  35          HB2       PRO  35  -1.356   4.890  -0.867
  273   2HB   PRO  35          HB1       PRO  35  -0.603   6.052   0.226
  274   1HG   PRO  35          HG2       PRO  35   0.091   5.374  -2.596
  275   2HG   PRO  35          HG1       PRO  35   0.113   6.948  -1.779
  276   1HD   PRO  35          HD2       PRO  35   2.377   5.612  -2.259
  277   2HD   PRO  35          HD1       PRO  35   2.154   6.520  -0.747
  278    H    GLY  36           HN       GLY  36   0.823   2.753  -2.052
  279   1HA   GLY  36          HA2       GLY  36  -1.341   0.964  -1.617
  280   2HA   GLY  36          HA1       GLY  36  -0.135   0.850  -2.878
  281    H    TYR  37           HN       TYR  37   1.814   0.884  -0.339
  282    HA   TYR  37           HA       TYR  37   1.930  -1.999  -0.237
  283   1HB   TYR  37          HB2       TYR  37   3.692   0.099   1.051
  284   2HB   TYR  37          HB1       TYR  37   4.006  -1.634   1.065
  285    HD1  TYR  37           HD1      TYR  37   5.151  -2.657  -0.723
  286    HD2  TYR  37           HD2      TYR  37   3.609   1.282  -1.194
  287    HE1  TYR  37           HE1      TYR  37   6.312  -2.464  -2.875
  288    HE2  TYR  37           HE2      TYR  37   4.780   1.484  -3.341
  289    HH   TYR  37           HH       TYR  37   6.115  -1.170  -4.959
  290    H    VAL  38           HN       VAL  38   1.463  -3.268   1.487
  291    HA   VAL  38           HA       VAL  38   0.340  -2.008   3.892
  292    HB   VAL  38           HB       VAL  38  -1.074  -3.995   4.127
  293   1HG1  VAL  38          HG11      VAL  38  -1.336  -2.881   1.337
  294   2HG1  VAL  38          HG12      VAL  38  -1.849  -2.034   2.799
  295   3HG1  VAL  38          HG13      VAL  38  -2.616  -3.555   2.345
  296   1HG2  VAL  38          HG21      VAL  38   0.198  -4.876   1.539
  297   2HG2  VAL  38          HG22      VAL  38  -1.221  -5.632   2.267
  298   3HG2  VAL  38          HG23      VAL  38   0.331  -5.668   3.109
  299    H    ARG  39           HN       ARG  39   0.241  -4.724   5.097
  300    HA   ARG  39           HA       ARG  39   3.084  -4.854   5.772
  301   1HB   ARG  39          HB2       ARG  39   2.373  -5.892   7.898
  302   2HB   ARG  39          HB1       ARG  39   1.699  -4.286   7.656
  303   1HG   ARG  39          HG2       ARG  39  -0.422  -5.277   6.959
  304   2HG   ARG  39          HG1       ARG  39   0.255  -6.889   7.203
  305   1HD   ARG  39          HD2       ARG  39   0.540  -6.460   9.559
  306   2HD   ARG  39          HD1       ARG  39   0.012  -4.791   9.354
  307    HE   ARG  39           HE       ARG  39  -1.997  -6.537   8.434
  308   1HH1  ARG  39          HH11      ARG  39  -0.501  -5.462  11.394
  309   2HH1  ARG  39          HH12      ARG  39  -1.921  -5.717  12.353
  310   1HH2  ARG  39          HH21      ARG  39  -3.868  -6.872   9.689
  311   2HH2  ARG  39          HH22      ARG  39  -3.834  -6.518  11.384
  312    H    SER  40           HN       SER  40   4.276  -6.585   5.649
  313    HA   SER  40           HA       SER  40   3.353  -9.255   5.580
  314   1HB   SER  40          HB2       SER  40   2.639  -8.674   3.305
  315   2HB   SER  40          HB1       SER  40   4.264  -8.100   2.931
  316    HG   SER  40           HG       SER  40   3.933 -10.232   2.190
  317    H    HIS  41           HN       HIS  41   5.668  -6.844   5.665
  318    HA   HIS  41           HA       HIS  41   7.778  -8.795   6.246
  319   1HB   HIS  41          HB2       HIS  41   8.021  -7.849   3.900
  320   2HB   HIS  41          HB1       HIS  41   8.310  -6.284   4.655
  321    HD1  HIS  41           HD1      HIS  41   9.780  -9.789   4.750
  322    HD2  HIS  41           HD2      HIS  41  10.918  -5.821   5.216
  323    HE1  HIS  41           HE1      HIS  41  12.277  -9.837   5.044
  324    HE2  HIS  41           HE2      HIS  41  12.954  -7.415   5.214
  325    H    SER  42           HN       SER  42   6.590  -5.487   6.476
  326    HA   SER  42           HA       SER  42   6.593  -3.988   8.178
  327   1HB   SER  42          HB2       SER  42   6.114  -5.848   9.678
  328   2HB   SER  42          HB1       SER  42   7.835  -6.223   9.787
  329    HG   SER  42           HG       SER  42   7.742  -4.920  11.441
  330    H    THR  43           HN       THR  43   9.431  -5.368   6.973
  331    HA   THR  43           HA       THR  43  11.055  -3.244   8.214
  332    HB   THR  43           HB       THR  43  12.224  -5.650   6.837
  333    HG1  THR  43           HG1      THR  43  12.183  -6.727   8.787
  334   1HG2  THR  43          HG21      THR  43  13.751  -3.821   7.274
  335   2HG2  THR  43          HG22      THR  43  14.113  -5.161   8.361
  336   3HG2  THR  43          HG23      THR  43  13.234  -3.753   8.959
  337    H    GLN  44           HN       GLN  44  12.810  -2.366   6.830
  338    HA   GLN  44           HA       GLN  44  12.801  -2.606   4.028
  339   1HB   GLN  44          HB2       GLN  44  11.873  -0.312   3.516
  340   2HB   GLN  44          HB1       GLN  44  10.687  -1.520   3.992
  341   1HG   GLN  44          HG2       GLN  44  10.598  -0.596   6.228
  342   2HG   GLN  44          HG1       GLN  44  11.852   0.574   5.814
  343   1HE2  GLN  44          HE21      GLN  44   9.114   0.994   6.746
  344   2HE2  GLN  44          HE22      GLN  44   8.349   1.976   5.548
  345    H    THR  45           HN       THR  45  14.977  -2.442   3.947
  346    HA   THR  45           HA       THR  45  16.189   0.125   4.508
  347    HB   THR  45           HB       THR  45  18.017  -0.840   5.894
  348    HG1  THR  45           HG1      THR  45  17.917  -2.899   6.583
  349   1HG2  THR  45          HG21      THR  45  16.807  -0.870   7.982
  350   2HG2  THR  45          HG22      THR  45  15.294  -1.213   7.143
  351   3HG2  THR  45          HG23      THR  45  16.091   0.347   6.924
  352    H    LEU  46           HN       LEU  46  18.137   0.443   3.446
  353    HA   LEU  46           HA       LEU  46  18.901  -1.674   1.543
  354   1HB   LEU  46          HB2       LEU  46  18.480   1.219   1.216
  355   2HB   LEU  46          HB1       LEU  46  19.964   0.624   0.498
  356    HG   LEU  46           HG       LEU  46  17.189  -0.413  -0.105
  357   1HD1  LEU  46          HD11      LEU  46  19.035   1.431  -1.602
  358   2HD1  LEU  46          HD12      LEU  46  17.377   1.733  -1.081
  359   3HD1  LEU  46          HD13      LEU  46  17.699   0.576  -2.373
  360   1HD2  LEU  46          HD21      LEU  46  18.847  -2.160  -0.308
  361   2HD2  LEU  46          HD22      LEU  46  19.870  -1.111  -1.290
  362   3HD2  LEU  46          HD23      LEU  46  18.309  -1.650  -1.909
  363    H    THR  47           HN       THR  47  20.750  -2.608   2.080
  364    HA   THR  47           HA       THR  47  22.853  -0.971   3.354
  365    HB   THR  47           HB       THR  47  22.426  -3.937   3.768
  366    HG1  THR  47           HG1      THR  47  21.018  -3.379   5.239
  367   1HG2  THR  47          HG21      THR  47  24.217  -1.934   5.146
  368   2HG2  THR  47          HG22      THR  47  24.727  -3.248   4.087
  369   3HG2  THR  47          HG23      THR  47  23.995  -3.609   5.650
  370    H    CYS  48           HN       CYS  48  25.029  -1.431   2.751
  371    HA   CYS  48           HA       CYS  48  25.246  -2.463   0.065
  372   1HB   CYS  48          HB2       CYS  48  26.524  -0.440   0.766
  373   2HB   CYS  48          HB1       CYS  48  27.403  -1.420   1.922
  374    H    ASN  49           HN       ASN  49  25.494  -4.555  -0.296
  375    HA   ASN  49           HA       ASN  49  26.572  -6.255   1.816
  376   1HB   ASN  49          HB2       ASN  49  25.601  -8.093   0.688
  377   2HB   ASN  49          HB1       ASN  49  24.429  -6.793   0.504
  378   1HD2  ASN  49          HD21      ASN  49  24.580  -9.075  -1.120
  379   2HD2  ASN  49          HD22      ASN  49  24.976  -8.568  -2.725
  380    H    SER  50           HN       SER  50  27.949  -8.189   0.812
  381    HA   SER  50           HA       SER  50  30.224  -6.893  -0.466
  382   1HB   SER  50          HB2       SER  50  30.628  -8.368   1.465
  383   2HB   SER  50          HB1       SER  50  29.913  -9.722   0.588
  384    HG   SER  50           HG       SER  50  32.397  -8.520   0.289
  385    H    ASP  51           HN       ASP  51  28.532  -6.695  -2.271
  386    HA   ASP  51           HA       ASP  51  29.156  -8.630  -4.383
  387   1HB   ASP  51          HB2       ASP  51  26.902  -9.127  -3.047
  388   2HB   ASP  51          HB1       ASP  51  26.307  -7.847  -4.101
  389    H    GLY  52           HN       GLY  52  29.069  -5.581  -3.320
  390   1HA   GLY  52          HA2       GLY  52  29.020  -3.515  -4.315
  391   2HA   GLY  52          HA1       GLY  52  29.424  -4.367  -5.798
  392    H    GLU  53           HN       GLU  53  26.623  -5.403  -4.316
  393    HA   GLU  53           HA       GLU  53  24.912  -3.645  -5.953
  394   1HB   GLU  53          HB2       GLU  53  23.578  -5.421  -6.633
  395   2HB   GLU  53          HB1       GLU  53  25.193  -6.120  -6.691
  396   1HG   GLU  53          HG2       GLU  53  24.810  -7.156  -4.503
  397   2HG   GLU  53          HG1       GLU  53  23.189  -6.466  -4.471
  398    H    TRP  54           HN       TRP  54  22.802  -3.221  -5.114
  399    HA   TRP  54           HA       TRP  54  22.764  -3.123  -2.244
  400   1HB   TRP  54          HB2       TRP  54  20.870  -2.072  -4.355
  401   2HB   TRP  54          HB1       TRP  54  20.714  -1.767  -2.631
  402    HD1  TRP  54           HD1      TRP  54  23.027  -0.936  -5.601
  403    HE1  TRP  54           HE1      TRP  54  24.368   1.182  -5.004
  404    HE3  TRP  54           HE3      TRP  54  21.539  -0.406  -0.780
  405    HZ2  TRP  54           HZ2      TRP  54  24.746   2.861  -2.751
  406    HZ3  TRP  54           HZ3      TRP  54  22.425   1.475   0.555
  407    HH2  TRP  54           HH2      TRP  54  23.997   3.073  -0.417
  408    H    VAL  55           HN       VAL  55  22.015  -4.719  -1.113
  409    HA   VAL  55           HA       VAL  55  20.144  -6.653  -2.288
  410    HB   VAL  55           HB       VAL  55  22.325  -6.795  -0.258
  411   1HG1  VAL  55          HG11      VAL  55  20.363  -7.386   1.061
  412   2HG1  VAL  55          HG12      VAL  55  21.403  -8.784   0.784
  413   3HG1  VAL  55          HG13      VAL  55  19.913  -8.595  -0.143
  414   1HG2  VAL  55          HG21      VAL  55  22.532  -7.668  -2.572
  415   2HG2  VAL  55          HG22      VAL  55  21.267  -8.840  -2.198
  416   3HG2  VAL  55          HG23      VAL  55  22.804  -8.886  -1.323
  417    H    TYR  56           HN       TYR  56  18.182  -7.068  -1.191
  418    HA   TYR  56           HA       TYR  56  17.661  -6.137   1.395
  419   1HB   TYR  56          HB2       TYR  56  16.218  -4.169   0.902
  420   2HB   TYR  56          HB1       TYR  56  17.900  -3.915   0.444
  421    HD1  TYR  56           HD1      TYR  56  18.527  -4.248  -2.015
  422    HD2  TYR  56           HD2      TYR  56  14.502  -3.912  -0.681
  423    HE1  TYR  56           HE1      TYR  56  17.824  -3.697  -4.304
  424    HE2  TYR  56           HE2      TYR  56  13.785  -3.359  -2.967
  425    HH   TYR  56           HH       TYR  56  15.751  -3.809  -5.671
  426    H    ASN  57           HN       ASN  57  16.809  -7.837  -1.235
  427    HA   ASN  57           HA       ASN  57  14.983  -9.000  -1.967
  428   1HB   ASN  57          HB2       ASN  57  14.390  -8.936   1.001
  429   2HB   ASN  57          HB1       ASN  57  13.638 -10.031  -0.157
  430   1HD2  ASN  57          HD21      ASN  57  16.569  -9.204   1.525
  431   2HD2  ASN  57          HD22      ASN  57  17.401 -10.687   1.216
  432    H    THR  58           HN       THR  58  12.352  -9.145  -1.269
  433    HA   THR  58           HA       THR  58  11.420  -6.461  -1.953
  434    HB   THR  58           HB       THR  58   9.827  -9.031  -1.855
  435    HG1  THR  58           HG1      THR  58  10.410  -9.347  -3.899
  436   1HG2  THR  58          HG21      THR  58   9.230  -6.346  -3.105
  437   2HG2  THR  58          HG22      THR  58   8.454  -7.020  -1.673
  438   3HG2  THR  58          HG23      THR  58   8.223  -7.787  -3.243
  439    H    PHE  59           HN       PHE  59  11.713  -5.512   0.118
  440    HA   PHE  59           HA       PHE  59  10.612  -6.589   2.469
  441   1HB   PHE  59          HB2       PHE  59  10.761  -4.066   3.212
  442   2HB   PHE  59          HB1       PHE  59  12.204  -5.045   2.987
  443    HD1  PHE  59           HD1      PHE  59  13.786  -3.419   2.545
  444    HD2  PHE  59           HD2      PHE  59  10.175  -3.479   0.293
  445    HE1  PHE  59           HE1      PHE  59  14.714  -1.729   1.020
  446    HE2  PHE  59           HE2      PHE  59  11.103  -1.790  -1.236
  447    HZ   PHE  59           HZ       PHE  59  13.371  -0.913  -0.875
  448    H    CYS  60           HN       CYS  60   9.436  -3.368   1.796
  449    HA   CYS  60           HA       CYS  60   6.887  -3.776   2.699
  450   1HB   CYS  60          HB2       CYS  60   7.468  -1.928   0.385
  451   2HB   CYS  60          HB1       CYS  60   6.243  -1.742   1.637
  452    H    ILE  61           HN       ILE  61   4.877  -4.252   1.758
  453    HA   ILE  61           HA       ILE  61   5.066  -5.662  -0.821
  454    HB   ILE  61           HB       ILE  61   4.666  -7.164   1.102
  455   1HG1  ILE  61          HG12      ILE  61   2.177  -7.047  -0.589
  456   2HG1  ILE  61          HG11      ILE  61   3.734  -7.501  -1.275
  457   1HG2  ILE  61          HG21      ILE  61   2.093  -5.615   1.379
  458   2HG2  ILE  61          HG22      ILE  61   3.427  -5.645   2.531
  459   3HG2  ILE  61          HG23      ILE  61   2.486  -7.107   2.234
  460   1HD1  ILE  61          HD11      ILE  61   3.885  -9.371   0.261
  461   2HD1  ILE  61          HD12      ILE  61   2.392  -9.446  -0.675
  462   3HD1  ILE  61          HD13      ILE  61   2.356  -8.902   1.001
  463    H    TYR  62           HN       TYR  62   3.853  -4.947  -2.415
  464    HA   TYR  62           HA       TYR  62   1.784  -2.922  -1.894
  465   1HB   TYR  62          HB2       TYR  62   3.754  -2.742  -3.608
  466   2HB   TYR  62          HB1       TYR  62   2.702  -3.724  -4.628
  467    HD1  TYR  62           HD1      TYR  62   3.781  -0.671  -4.563
  468    HD2  TYR  62           HD2      TYR  62   0.036  -2.588  -3.989
  469    HE1  TYR  62           HE1      TYR  62   2.651   1.404  -5.192
  470    HE2  TYR  62           HE2      TYR  62  -1.124  -0.514  -4.635
  471    HH   TYR  62           HH       TYR  62  -0.259   2.176  -4.513
  472    H    LYS  63           HN       LYS  63  -0.211  -3.735  -1.614
  473    HA   LYS  63           HA       LYS  63  -1.436  -5.224  -3.740
  474   1HB   LYS  63          HB2       LYS  63  -2.087  -7.124  -2.237
  475   2HB   LYS  63          HB1       LYS  63  -0.373  -7.072  -2.627
  476   1HG   LYS  63          HG2       LYS  63  -0.029  -5.885  -0.421
  477   2HG   LYS  63          HG1       LYS  63  -1.705  -6.290  -0.045
  478   1HD   LYS  63          HD2       LYS  63  -1.144  -8.682  -0.411
  479   2HD   LYS  63          HD1       LYS  63   0.542  -8.221  -0.613
  480   1HE   LYS  63          HE2       LYS  63   0.566  -7.319   1.659
  481   2HE   LYS  63          HE1       LYS  63  -1.134  -7.749   1.849
  482   1HZ   LYS  63          HZ1       LYS  63   1.115  -9.643   1.440
  483   2HZ   LYS  63          HZ2       LYS  63  -0.515 -10.083   1.530
  484   3HZ   LYS  63          HZ3       LYS  63   0.251  -9.404   2.875
  485    H    ARG  64           HN       ARG  64  -2.613  -3.109  -3.523
  486    HA   ARG  64           HA       ARG  64  -4.220  -2.743  -1.166
  487   1HB   ARG  64          HB2       ARG  64  -5.061  -0.766  -2.195
  488   2HB   ARG  64          HB1       ARG  64  -3.341  -0.838  -2.532
  489   1HG   ARG  64          HG2       ARG  64  -5.248  -1.945  -4.531
  490   2HG   ARG  64          HG1       ARG  64  -5.063  -0.197  -4.394
  491   1HD   ARG  64          HD2       ARG  64  -2.636  -0.460  -4.702
  492   2HD   ARG  64          HD1       ARG  64  -2.870  -2.194  -4.923
  493    HE   ARG  64           HE       ARG  64  -4.395  -0.501  -6.709
  494   1HH1  ARG  64          HH11      ARG  64  -1.456  -2.307  -6.209
  495   2HH1  ARG  64          HH12      ARG  64  -1.107  -2.454  -7.899
  496   1HH2  ARG  64          HH21      ARG  64  -3.943  -0.692  -8.935
  497   2HH2  ARG  64          HH22      ARG  64  -2.521  -1.536  -9.449
  498    H    CYS  65           HN       CYS  65  -6.551  -1.761  -2.605
  499    HA   CYS  65           HA       CYS  65  -7.786  -4.290  -3.462
  500   1HB   CYS  65          HB2       CYS  65  -9.336  -2.229  -1.933
  501   2HB   CYS  65          HB1       CYS  65  -9.633  -3.957  -2.083
  502    H    ARG  66           HN       ARG  66  -9.029  -4.129  -5.302
  503    HA   ARG  66           HA       ARG  66  -8.904  -1.783  -6.826
  504   1HB   ARG  66          HB2       ARG  66  -9.292  -3.981  -7.863
  505   2HB   ARG  66          HB1       ARG  66 -10.854  -4.099  -7.064
  506   1HG   ARG  66          HG2       ARG  66 -11.302  -3.484  -9.287
  507   2HG   ARG  66          HG1       ARG  66 -11.512  -2.015  -8.331
  508   1HD   ARG  66          HD2       ARG  66 -10.288  -1.484 -10.335
  509   2HD   ARG  66          HD1       ARG  66  -9.218  -1.336  -8.942
  510    HE   ARG  66           HE       ARG  66  -9.040  -3.919 -10.114
  511   1HH1  ARG  66          HH11      ARG  66  -8.019  -0.610 -10.505
  512   2HH1  ARG  66          HH12      ARG  66  -6.593  -1.021 -11.397
  513   1HH2  ARG  66          HH21      ARG  66  -7.164  -4.469 -11.288
  514   2HH2  ARG  66          HH22      ARG  66  -6.108  -3.213 -11.844
  515    H    HIS  67           HN       HIS  67 -10.344  -0.064  -7.052
  516    HA   HIS  67           HA       HIS  67 -11.801   0.708  -4.839
  517   1HB   HIS  67          HB2       HIS  67 -12.732   2.457  -6.252
  518   2HB   HIS  67          HB1       HIS  67 -11.020   2.253  -6.580
  519    HD1  HIS  67           HD1      HIS  67 -10.381   1.179  -8.880
  520    HD2  HIS  67           HD2      HIS  67 -14.425   1.978  -8.380
  521    HE1  HIS  67           HE1      HIS  67 -11.382   1.030 -11.183
  522    HE2  HIS  67           HE2      HIS  67 -13.842   1.469 -10.849
  523    HA   PRO  68           HA       PRO  68 -15.468  -1.827  -4.825
  524   1HB   PRO  68          HB2       PRO  68 -17.104   0.084  -3.671
  525   2HB   PRO  68          HB1       PRO  68 -16.081  -1.054  -2.793
  526   1HG   PRO  68          HG2       PRO  68 -15.569   1.804  -3.488
  527   2HG   PRO  68          HG1       PRO  68 -15.172   0.919  -2.004
  528   1HD   PRO  68          HD2       PRO  68 -13.288   1.459  -3.817
  529   2HD   PRO  68          HD1       PRO  68 -13.307  -0.097  -2.959
  530    H    GLY  69           HN       GLY  69 -15.509   1.509  -5.956
  531   1HA   GLY  69          HA2       GLY  69 -16.324   2.020  -8.166
  532   2HA   GLY  69          HA1       GLY  69 -17.498   0.724  -7.981
  533    H    GLU  70           HN       GLU  70 -18.817   2.581  -8.764
  534    HA   GLU  70           HA       GLU  70 -19.523   4.576  -6.789
  535   1HB   GLU  70          HB2       GLU  70 -19.494   5.214  -9.161
  536   2HB   GLU  70          HB1       GLU  70 -20.687   3.973  -9.517
  537   1HG   GLU  70          HG2       GLU  70 -22.320   5.136  -8.126
  538   2HG   GLU  70          HG1       GLU  70 -21.124   6.382  -7.766
  539    H    LEU  71           HN       LEU  71 -21.067   4.527  -5.414
  540    HA   LEU  71           HA       LEU  71 -22.847   2.203  -5.350
  541   1HB   LEU  71          HB2       LEU  71 -21.804   2.504  -3.257
  542   2HB   LEU  71          HB1       LEU  71 -21.960   4.246  -3.327
  543    HG   LEU  71           HG       LEU  71 -24.391   4.005  -2.986
  544   1HD1  LEU  71          HD11      LEU  71 -23.723   1.093  -2.641
  545   2HD1  LEU  71          HD12      LEU  71 -24.766   1.805  -3.874
  546   3HD1  LEU  71          HD13      LEU  71 -25.256   1.833  -2.178
  547   1HD2  LEU  71          HD21      LEU  71 -24.281   3.406  -0.620
  548   2HD2  LEU  71          HD22      LEU  71 -22.943   4.453  -1.097
  549   3HD2  LEU  71          HD23      LEU  71 -22.674   2.724  -0.878
  550    H    ARG  72           HN       ARG  72 -24.502   2.644  -6.754
  551    HA   ARG  72           HA       ARG  72 -25.505   5.270  -7.122
  552   1HB   ARG  72          HB2       ARG  72 -25.756   3.514  -8.874
  553   2HB   ARG  72          HB1       ARG  72 -26.863   2.646  -7.819
  554   1HG   ARG  72          HG2       ARG  72 -28.450   4.465  -7.922
  555   2HG   ARG  72          HG1       ARG  72 -27.329   5.418  -8.898
  556   1HD   ARG  72          HD2       ARG  72 -27.426   3.674 -10.646
  557   2HD   ARG  72          HD1       ARG  72 -28.623   2.809  -9.680
  558    HE   ARG  72           HE       ARG  72 -29.424   5.494 -10.160
  559   1HH1  ARG  72          HH11      ARG  72 -29.207   2.353 -11.656
  560   2HH1  ARG  72          HH12      ARG  72 -30.508   2.650 -12.761
  561   1HH2  ARG  72          HH21      ARG  72 -31.135   5.891 -11.607
  562   2HH2  ARG  72          HH22      ARG  72 -31.604   4.662 -12.733
  563    H    ASN  73           HN       ASN  73 -26.969   6.378  -6.264
  564    HA   ASN  73           HA       ASN  73 -28.715   7.035  -5.006
  565   1HB   ASN  73          HB2       ASN  73 -28.872   4.186  -3.971
  566   2HB   ASN  73          HB1       ASN  73 -30.035   5.463  -3.625
  567   1HD2  ASN  73          HD21      ASN  73 -28.895   3.180  -5.948
  568   2HD2  ASN  73          HD22      ASN  73 -30.161   3.405  -7.102
  569    H    GLY  74           HN       GLY  74 -25.732   6.608  -4.296
  570   1HA   GLY  74          HA2       GLY  74 -26.009   7.854  -1.727
  571   2HA   GLY  74          HA1       GLY  74 -25.415   6.210  -1.617
  572    H    GLN  75           HN       GLN  75 -23.486   6.698  -0.789
  573    HA   GLN  75           HA       GLN  75 -21.491   7.690  -2.612
  574   1HB   GLN  75          HB2       GLN  75 -22.247   9.808  -1.722
  575   2HB   GLN  75          HB1       GLN  75 -22.078   9.218  -0.074
  576   1HG   GLN  75          HG2       GLN  75 -20.243  10.680  -0.645
  577   2HG   GLN  75          HG1       GLN  75 -19.664   9.036  -0.387
  578   1HE2  GLN  75          HE21      GLN  75 -20.232  11.543  -2.720
  579   2HE2  GLN  75          HE22      GLN  75 -19.315  10.839  -4.004
  580    H    VAL  76           HN       VAL  76 -20.681   5.568  -2.331
  581    HA   VAL  76           HA       VAL  76 -20.089   4.277  -0.029
  582    HB   VAL  76           HB       VAL  76 -19.582   2.941  -1.776
  583   1HG1  VAL  76          HG11      VAL  76 -18.392   3.618  -3.788
  584   2HG1  VAL  76          HG12      VAL  76 -18.140   5.222  -3.097
  585   3HG1  VAL  76          HG13      VAL  76 -19.773   4.661  -3.454
  586   1HG2  VAL  76          HG21      VAL  76 -16.876   4.089  -1.121
  587   2HG2  VAL  76          HG22      VAL  76 -17.156   2.570  -1.973
  588   3HG2  VAL  76          HG23      VAL  76 -17.685   2.754  -0.301
  589    H    GLU  77           HN       GLU  77 -18.714   4.604   1.680
  590    HA   GLU  77           HA       GLU  77 -17.212   7.015   1.847
  591   1HB   GLU  77          HB2       GLU  77 -18.266   5.884   3.802
  592   2HB   GLU  77          HB1       GLU  77 -17.055   4.614   3.675
  593   1HG   GLU  77          HG2       GLU  77 -16.256   6.027   5.347
  594   2HG   GLU  77          HG1       GLU  77 -15.326   6.465   3.916
  595    H    ILE  78           HN       ILE  78 -15.517   7.211   0.481
  596    HA   ILE  78           HA       ILE  78 -13.383   5.185   0.695
  597    HB   ILE  78           HB       ILE  78 -14.187   6.707  -1.790
  598   1HG1  ILE  78          HG12      ILE  78 -15.645   4.843  -1.474
  599   2HG1  ILE  78          HG11      ILE  78 -14.474   4.372  -2.700
  600   1HG2  ILE  78          HG21      ILE  78 -12.373   5.504  -2.914
  601   2HG2  ILE  78          HG22      ILE  78 -11.878   4.815  -1.368
  602   3HG2  ILE  78          HG23      ILE  78 -11.766   6.555  -1.635
  603   1HD1  ILE  78          HD11      ILE  78 -13.201   3.168  -0.947
  604   2HD1  ILE  78          HD12      ILE  78 -14.825   2.536  -1.216
  605   3HD1  ILE  78          HD13      ILE  78 -14.495   3.548   0.189
  606    H    LYS  79           HN       LYS  79 -11.245   5.954   0.682
  607    HA   LYS  79           HA       LYS  79 -10.565   8.680   0.319
  608   1HB   LYS  79          HB2       LYS  79 -10.053   9.254   2.656
  609   2HB   LYS  79          HB1       LYS  79 -11.771   8.990   2.411
  610   1HG   LYS  79          HG2       LYS  79  -9.882   6.946   3.561
  611   2HG   LYS  79          HG1       LYS  79 -10.877   8.041   4.523
  612   1HD   LYS  79          HD2       LYS  79 -12.873   7.082   3.265
  613   2HD   LYS  79          HD1       LYS  79 -11.770   5.822   2.700
  614   1HE   LYS  79          HE2       LYS  79 -11.281   5.207   5.010
  615   2HE   LYS  79          HE1       LYS  79 -12.359   6.477   5.585
  616   1HZ   LYS  79          HZ1       LYS  79 -13.438   4.318   5.608
  617   2HZ   LYS  79          HZ2       LYS  79 -13.170   4.136   3.948
  618   3HZ   LYS  79          HZ3       LYS  79 -14.202   5.352   4.507
  619    H    THR  80           HN       THR  80  -9.779   5.656   1.934
  620    HA   THR  80           HA       THR  80  -6.980   6.172   2.092
  621    HB   THR  80           HB       THR  80  -6.776   3.955   2.947
  622    HG1  THR  80           HG1      THR  80  -9.293   3.564   1.698
  623   1HG2  THR  80          HG21      THR  80  -8.954   3.953   4.475
  624   2HG2  THR  80          HG22      THR  80  -9.129   5.571   3.785
  625   3HG2  THR  80          HG23      THR  80  -7.671   5.145   4.683
  626    H    ASP  81           HN       ASP  81  -8.387   6.151  -0.649
  627    HA   ASP  81           HA       ASP  81  -7.825   5.581  -2.797
  628   1HB   ASP  81          HB2       ASP  81  -5.247   4.790  -1.452
  629   2HB   ASP  81          HB1       ASP  81  -5.459   4.942  -3.194
  630    H    LEU  82           HN       LEU  82  -8.543   3.499  -0.578
  631    HA   LEU  82           HA       LEU  82  -9.191   1.325  -0.496
  632   1HB   LEU  82          HB2       LEU  82  -8.535   1.353  -3.435
  633   2HB   LEU  82          HB1       LEU  82  -9.454   0.108  -2.615
  634    HG   LEU  82           HG       LEU  82 -11.189   1.286  -3.495
  635   1HD1  LEU  82          HD11      LEU  82 -11.500   1.457  -1.099
  636   2HD1  LEU  82          HD12      LEU  82 -12.122   2.897  -1.905
  637   3HD1  LEU  82          HD13      LEU  82 -10.572   2.956  -1.066
  638   1HD2  LEU  82          HD21      LEU  82  -9.663   2.855  -4.666
  639   2HD2  LEU  82          HD22      LEU  82  -9.663   3.868  -3.221
  640   3HD2  LEU  82          HD23      LEU  82 -11.162   3.600  -4.113
  641    H    SER  83           HN       SER  83  -6.728   1.692   0.476
  642    HA   SER  83           HA       SER  83  -4.988  -0.304  -0.751
  643   1HB   SER  83          HB2       SER  83  -3.319   0.417   0.931
  644   2HB   SER  83          HB1       SER  83  -3.915   1.769  -0.031
  645    HG   SER  83           HG       SER  83  -5.046   2.505   1.672
  646    H    PHE  84           HN       PHE  84  -4.767  -2.324   0.010
  647    HA   PHE  84           HA       PHE  84  -6.551  -3.681   1.458
  648   1HB   PHE  84          HB2       PHE  84  -4.838  -4.914   0.396
  649   2HB   PHE  84          HB1       PHE  84  -3.577  -4.124   1.335
  650    HD1  PHE  84           HD1      PHE  84  -2.745  -5.141   3.241
  651    HD2  PHE  84           HD2      PHE  84  -6.522  -6.372   1.712
  652    HE1  PHE  84           HE1      PHE  84  -2.810  -6.970   4.885
  653    HE2  PHE  84           HE2      PHE  84  -6.593  -8.200   3.353
  654    HZ   PHE  84           HZ       PHE  84  -4.737  -8.502   4.943
  655    H    GLY  85           HN       GLY  85  -7.006  -4.287   3.509
  656   1HA   GLY  85          HA2       GLY  85  -6.892  -4.323   5.825
  657   2HA   GLY  85          HA1       GLY  85  -5.416  -3.375   5.740
  658    H    SER  86           HN       SER  86  -8.780  -2.787   4.662
  659    HA   SER  86           HA       SER  86  -9.043  -0.672   6.608
  660   1HB   SER  86          HB2       SER  86  -9.064  -0.012   3.660
  661   2HB   SER  86          HB1       SER  86  -9.535   1.092   4.954
  662    HG   SER  86           HG       SER  86  -7.253   1.121   4.080
  663    H    GLN  87           HN       GLN  87 -11.090   0.304   6.670
  664    HA   GLN  87           HA       GLN  87 -13.223  -1.407   5.577
  665   1HB   GLN  87          HB2       GLN  87 -13.406  -1.742   7.865
  666   2HB   GLN  87          HB1       GLN  87 -12.872  -0.115   8.250
  667   1HG   GLN  87          HG2       GLN  87 -15.479  -0.455   6.869
  668   2HG   GLN  87          HG1       GLN  87 -15.365  -0.855   8.584
  669   1HE2  GLN  87          HE21      GLN  87 -15.339   1.653   6.225
  670   2HE2  GLN  87          HE22      GLN  87 -15.335   2.987   7.319
  671    H    ILE  88           HN       ILE  88 -14.767  -0.446   4.374
  672    HA   ILE  88           HA       ILE  88 -14.809   2.500   4.293
  673    HB   ILE  88           HB       ILE  88 -15.430   2.281   1.861
  674   1HG1  ILE  88          HG12      ILE  88 -14.271  -0.494   2.190
  675   2HG1  ILE  88          HG11      ILE  88 -15.984  -0.152   1.978
  676   1HG2  ILE  88          HG21      ILE  88 -12.680   1.396   2.719
  677   2HG2  ILE  88          HG22      ILE  88 -13.247   3.057   2.549
  678   3HG2  ILE  88          HG23      ILE  88 -13.095   2.026   1.125
  679   1HD1  ILE  88          HD11      ILE  88 -13.819   0.505  -0.002
  680   2HD1  ILE  88          HD12      ILE  88 -15.548   0.782  -0.214
  681   3HD1  ILE  88          HD13      ILE  88 -14.927  -0.864  -0.097
  682    H    GLU  89           HN       GLU  89 -16.656   3.152   5.115
  683    HA   GLU  89           HA       GLU  89 -18.996   1.514   5.173
  684   1HB   GLU  89          HB2       GLU  89 -19.034   4.469   5.681
  685   2HB   GLU  89          HB1       GLU  89 -19.980   3.204   6.451
  686   1HG   GLU  89          HG2       GLU  89 -17.990   2.416   7.614
  687   2HG   GLU  89          HG1       GLU  89 -17.037   3.673   6.825
  688    H    PHE  90           HN       PHE  90 -21.045   3.245   4.661
  689    HA   PHE  90           HA       PHE  90 -20.742   4.256   1.950
  690   1HB   PHE  90          HB2       PHE  90 -22.766   2.123   2.676
  691   2HB   PHE  90          HB1       PHE  90 -22.695   2.978   1.138
  692    HD1  PHE  90           HD1      PHE  90 -20.777   2.621  -0.392
  693    HD2  PHE  90           HD2      PHE  90 -21.316   0.302   3.147
  694    HE1  PHE  90           HE1      PHE  90 -19.218   0.938  -1.265
  695    HE2  PHE  90           HE2      PHE  90 -19.756  -1.388   2.274
  696    HZ   PHE  90           HZ       PHE  90 -18.704  -1.073   0.069
  697    H    SER  91           HN       SER  91 -23.148   5.081   1.284
  698    HA   SER  91           HA       SER  91 -24.693   5.978   3.526
  699   1HB   SER  91          HB2       SER  91 -24.364   8.397   3.098
  700   2HB   SER  91          HB1       SER  91 -22.918   7.596   3.712
  701    HG   SER  91           HG       SER  91 -22.917   9.084   1.687
  702    H    CYS  92           HN       CYS  92 -26.586   5.451   2.725
  703    HA   CYS  92           HA       CYS  92 -27.247   5.940  -0.053
  704   1HB   CYS  92          HB2       CYS  92 -29.008   4.981   2.222
  705   2HB   CYS  92          HB1       CYS  92 -29.465   5.021   0.522
  706    H    SER  93           HN       SER  93 -27.826   7.898  -0.750
  707    HA   SER  93           HA       SER  93 -28.320  10.028   1.081
  708   1HB   SER  93          HB2       SER  93 -28.644  11.360  -1.044
  709   2HB   SER  93          HB1       SER  93 -27.082  10.555  -0.872
  710    HG   SER  93           HG       SER  93 -28.188   8.792  -2.121
  711    H    GLU  94           HN       GLU  94 -30.013  11.661  -0.067
  712    HA   GLU  94           HA       GLU  94 -32.435  11.345   1.035
  713   1HB   GLU  94          HB2       GLU  94 -31.819  13.416   0.063
  714   2HB   GLU  94          HB1       GLU  94 -31.697  12.707  -1.541
  715   1HG   GLU  94          HG2       GLU  94 -34.102  12.359  -1.582
  716   2HG   GLU  94          HG1       GLU  94 -34.236  13.033   0.041
  717    H    GLY  95           HN       GLY  95 -34.098  10.055   0.869
  718   1HA   GLY  95          HA2       GLY  95 -35.821   8.888  -0.166
  719   2HA   GLY  95          HA1       GLY  95 -35.018   9.121  -1.708
  720    H    PHE  96           HN       PHE  96 -32.742   7.853   0.389
  721    HA   PHE  96           HA       PHE  96 -33.598   5.063   0.129
  722   1HB   PHE  96          HB2       PHE  96 -30.838   5.593  -0.813
  723   2HB   PHE  96          HB1       PHE  96 -31.993   4.379  -1.341
  724    HD1  PHE  96           HD1      PHE  96 -33.733   4.971  -3.006
  725    HD2  PHE  96           HD2      PHE  96 -30.602   7.654  -1.953
  726    HE1  PHE  96           HE1      PHE  96 -34.162   6.265  -5.051
  727    HE2  PHE  96           HE2      PHE  96 -31.029   8.957  -3.997
  728    HZ   PHE  96           HZ       PHE  96 -32.812   8.263  -5.548
  729    H    PHE  97           HN       PHE  97 -32.929   3.853   1.781
  730    HA   PHE  97           HA       PHE  97 -30.896   4.991   3.573
  731   1HB   PHE  97          HB2       PHE  97 -31.871   3.706   5.370
  732   2HB   PHE  97          HB1       PHE  97 -33.142   4.618   4.574
  733    HD1  PHE  97           HD1      PHE  97 -34.685   3.438   2.996
  734    HD2  PHE  97           HD2      PHE  97 -31.966   1.370   5.535
  735    HE1  PHE  97           HE1      PHE  97 -36.020   1.387   2.745
  736    HE2  PHE  97           HE2      PHE  97 -33.299  -0.685   5.291
  737    HZ   PHE  97           HZ       PHE  97 -35.327  -0.679   3.893
  738    H    LEU  98           HN       LEU  98 -29.673   3.165   4.804
  739    HA   LEU  98           HA       LEU  98 -28.353   1.670   2.702
  740   1HB   LEU  98          HB2       LEU  98 -27.149   3.078   4.382
  741   2HB   LEU  98          HB1       LEU  98 -27.584   1.892   5.598
  742    HG   LEU  98           HG       LEU  98 -26.075   0.351   4.835
  743   1HD1  LEU  98          HD11      LEU  98 -27.104   0.244   2.577
  744   2HD1  LEU  98          HD12      LEU  98 -25.349   0.071   2.574
  745   3HD1  LEU  98          HD13      LEU  98 -26.085   1.601   2.100
  746   1HD2  LEU  98          HD21      LEU  98 -24.795   2.277   5.502
  747   2HD2  LEU  98          HD22      LEU  98 -24.940   2.970   3.887
  748   3HD2  LEU  98          HD23      LEU  98 -24.002   1.497   4.132
  749    H    ILE  99           HN       ILE  99 -28.291  -0.433   2.448
  750    HA   ILE  99           HA       ILE  99 -28.971  -2.355   4.511
  751    HB   ILE  99           HB       ILE  99 -30.447  -2.890   2.025
  752   1HG1  ILE  99          HG12      ILE  99 -31.767  -0.973   3.902
  753   2HG1  ILE  99          HG11      ILE  99 -30.758  -0.368   2.592
  754   1HG2  ILE  99          HG21      ILE  99 -30.537  -4.368   3.935
  755   2HG2  ILE  99          HG22      ILE  99 -32.135  -3.703   3.594
  756   3HG2  ILE  99          HG23      ILE  99 -31.182  -3.069   4.938
  757   1HD1  ILE  99          HD11      ILE  99 -33.193  -2.107   2.305
  758   2HD1  ILE  99          HD12      ILE  99 -32.162  -1.566   0.981
  759   3HD1  ILE  99          HD13      ILE  99 -33.073  -0.388   1.927
  760    H    GLY 100           HN       GLY 100 -27.797  -4.122   4.214
  761   1HA   GLY 100          HA2       GLY 100 -27.157  -5.783   2.338
  762   2HA   GLY 100          HA1       GLY 100 -26.293  -4.383   1.704
  763    H    SER 101           HN       SER 101 -24.896  -3.289   3.356
  764    HA   SER 101           HA       SER 101 -23.756  -4.570   5.549
  765   1HB   SER 101          HB2       SER 101 -22.954  -6.247   3.921
  766   2HB   SER 101          HB1       SER 101 -22.199  -4.967   2.971
  767    HG   SER 101           HG       SER 101 -21.033  -4.499   5.032
  768    H    THR 102           HN       THR 102 -23.599  -2.554   6.440
  769    HA   THR 102           HA       THR 102 -22.920  -0.243   4.978
  770    HB   THR 102           HB       THR 102 -22.871   0.917   7.102
  771    HG1  THR 102           HG1      THR 102 -22.599  -0.120   8.980
  772   1HG2  THR 102          HG21      THR 102 -25.080   0.224   8.022
  773   2HG2  THR 102          HG22      THR 102 -25.029  -1.189   6.967
  774   3HG2  THR 102          HG23      THR 102 -25.079   0.430   6.271
  775    H    THR 103           HN       THR 103 -20.985  -2.733   6.162
  776    HA   THR 103           HA       THR 103 -18.643  -0.962   6.063
  777    HB   THR 103           HB       THR 103 -17.501  -2.657   7.455
  778    HG1  THR 103           HG1      THR 103 -18.966  -4.410   6.972
  779   1HG2  THR 103          HG21      THR 103 -18.779  -2.094   9.563
  780   2HG2  THR 103          HG22      THR 103 -19.959  -1.300   8.516
  781   3HG2  THR 103          HG23      THR 103 -18.292  -0.725   8.562
  782    H    SER 104           HN       SER 104 -16.740  -1.776   5.062
  783    HA   SER 104           HA       SER 104 -16.938  -4.259   3.575
  784   1HB   SER 104          HB2       SER 104 -16.576  -1.546   2.287
  785   2HB   SER 104          HB1       SER 104 -16.093  -3.048   1.498
  786    HG   SER 104           HG       SER 104 -18.699  -2.694   2.518
  787    H    ARG 105           HN       ARG 105 -15.127  -5.295   4.036
  788    HA   ARG 105           HA       ARG 105 -12.728  -3.756   4.783
  789   1HB   ARG 105          HB2       ARG 105 -13.352  -6.670   5.305
  790   2HB   ARG 105          HB1       ARG 105 -11.971  -5.773   5.921
  791   1HG   ARG 105          HG2       ARG 105 -13.526  -4.308   7.164
  792   2HG   ARG 105          HG1       ARG 105 -14.865  -5.315   6.609
  793   1HD   ARG 105          HD2       ARG 105 -13.770  -7.268   7.680
  794   2HD   ARG 105          HD1       ARG 105 -12.544  -6.178   8.326
  795    HE   ARG 105           HE       ARG 105 -14.969  -5.145   9.126
  796   1HH1  ARG 105          HH11      ARG 105 -13.213  -8.123   9.557
  797   2HH1  ARG 105          HH12      ARG 105 -13.901  -8.454  11.111
  798   1HH2  ARG 105          HH21      ARG 105 -15.882  -5.574  11.170
  799   2HH2  ARG 105          HH22      ARG 105 -15.419  -7.006  12.028
  800    H    CYS 106           HN       CYS 106 -10.678  -5.317   4.403
  801    HA   CYS 106           HA       CYS 106 -10.769  -6.079   1.566
  802   1HB   CYS 106          HB2       CYS 106  -8.799  -4.387   3.047
  803   2HB   CYS 106          HB1       CYS 106  -8.228  -5.380   1.711
  804    H    GLU 107           HN       GLU 107 -10.457  -8.152   1.335
  805    HA   GLU 107           HA       GLU 107  -8.752  -9.587   3.236
  806   1HB   GLU 107          HB2       GLU 107 -11.010 -10.345   3.436
  807   2HB   GLU 107          HB1       GLU 107 -11.198 -10.444   1.690
  808   1HG   GLU 107          HG2       GLU 107  -9.697 -12.316   1.581
  809   2HG   GLU 107          HG1       GLU 107  -9.354 -12.185   3.306
  810    H    VAL 108           HN       VAL 108  -7.522 -11.371   2.332
  811    HA   VAL 108           HA       VAL 108  -6.886 -10.880  -0.498
  812    HB   VAL 108           HB       VAL 108  -4.977 -11.651   1.700
  813   1HG1  VAL 108          HG11      VAL 108  -4.553 -12.785  -0.495
  814   2HG1  VAL 108          HG12      VAL 108  -3.259 -11.702   0.027
  815   3HG1  VAL 108          HG13      VAL 108  -4.397 -11.181  -1.218
  816   1HG2  VAL 108          HG21      VAL 108  -3.988  -9.528   1.357
  817   2HG2  VAL 108          HG22      VAL 108  -5.727  -9.251   1.495
  818   3HG2  VAL 108          HG23      VAL 108  -4.954  -9.246  -0.092
  819    H    GLN 109           HN       GLN 109  -7.182 -12.432  -1.818
  820    HA   GLN 109           HA       GLN 109  -7.046 -15.216  -0.870
  821   1HB   GLN 109          HB2       GLN 109  -8.753 -15.693  -2.677
  822   2HB   GLN 109          HB1       GLN 109  -9.336 -14.751  -1.309
  823   1HG   GLN 109          HG2       GLN 109  -9.100 -12.702  -2.613
  824   2HG   GLN 109          HG1       GLN 109  -8.519 -13.645  -3.986
  825   1HE2  GLN 109          HE21      GLN 109 -11.271 -12.809  -2.039
  826   2HE2  GLN 109          HE22      GLN 109 -12.475 -13.440  -3.105
  827    H    ASP 110           HN       ASP 110  -5.278 -16.146  -1.660
  828    HA   ASP 110           HA       ASP 110  -3.560 -16.713  -3.044
  829   1HB   ASP 110          HB2       ASP 110  -5.795 -16.287  -5.025
  830   2HB   ASP 110          HB1       ASP 110  -4.221 -16.927  -5.491
  831    H    ARG 111           HN       ARG 111  -3.515 -15.548  -5.896
  832    HA   ARG 111           HA       ARG 111  -1.831 -13.344  -5.304
  833   1HB   ARG 111          HB2       ARG 111  -2.863 -14.574  -7.848
  834   2HB   ARG 111          HB1       ARG 111  -1.862 -13.136  -7.856
  835   1HG   ARG 111          HG2       ARG 111  -0.477 -15.042  -8.252
  836   2HG   ARG 111          HG1       ARG 111  -0.108 -14.399  -6.652
  837   1HD   ARG 111          HD2       ARG 111  -0.226 -16.840  -6.633
  838   2HD   ARG 111          HD1       ARG 111  -1.477 -16.122  -5.620
  839    HE   ARG 111           HE       ARG 111  -2.637 -16.519  -8.089
  840   1HH1  ARG 111          HH11      ARG 111  -1.137 -18.494  -5.642
  841   2HH1  ARG 111          HH12      ARG 111  -2.085 -19.896  -6.007
  842   1HH2  ARG 111          HH21      ARG 111  -3.892 -18.360  -8.577
  843   2HH2  ARG 111          HH22      ARG 111  -3.651 -19.820  -7.676
  844    H    GLY 112           HN       GLY 112  -4.683 -13.116  -4.512
  845   1HA   GLY 112          HA2       GLY 112  -5.218 -10.560  -5.852
  846   2HA   GLY 112          HA1       GLY 112  -6.515 -11.730  -5.651
  847    H    VAL 113           HN       VAL 113  -6.429  -9.058  -4.670
  848    HA   VAL 113           HA       VAL 113  -6.922  -9.601  -1.867
  849    HB   VAL 113           HB       VAL 113  -4.730  -9.045  -1.455
  850   1HG1  VAL 113          HG11      VAL 113  -3.442  -7.380  -2.719
  851   2HG1  VAL 113          HG12      VAL 113  -4.869  -7.044  -3.703
  852   3HG1  VAL 113          HG13      VAL 113  -4.104  -8.634  -3.771
  853   1HG2  VAL 113          HG21      VAL 113  -4.589  -6.752  -0.649
  854   2HG2  VAL 113          HG22      VAL 113  -6.122  -7.505  -0.211
  855   3HG2  VAL 113          HG23      VAL 113  -6.056  -6.347  -1.540
  856    H    GLY 114           HN       GLY 114  -8.042  -7.922  -0.774
  857   1HA   GLY 114          HA2       GLY 114  -8.666  -5.522  -1.088
  858   2HA   GLY 114          HA1       GLY 114  -9.236  -6.018  -2.666
  859    H    TRP 115           HN       TRP 115 -11.207  -5.042  -2.026
  860    HA   TRP 115           HA       TRP 115 -12.728  -5.806   0.205
  861   1HB   TRP 115          HB2       TRP 115 -13.953  -4.849  -2.366
  862   2HB   TRP 115          HB1       TRP 115 -14.492  -4.556  -0.716
  863    HD1  TRP 115           HD1      TRP 115 -12.530  -3.017  -3.451
  864    HE1  TRP 115           HE1      TRP 115 -11.376  -0.869  -2.633
  865    HE3  TRP 115           HE3      TRP 115 -13.255  -3.574   1.573
  866    HZ2  TRP 115           HZ2      TRP 115 -10.849   0.422  -0.180
  867    HZ3  TRP 115           HZ3      TRP 115 -12.391  -1.842   3.088
  868    HH2  TRP 115           HH2      TRP 115 -11.210   0.113   2.229
  869    H    SER 116           HN       SER 116 -14.427  -7.189   0.474
  870    HA   SER 116           HA       SER 116 -14.586  -9.395  -1.449
  871   1HB   SER 116          HB2       SER 116 -15.670 -10.637   0.410
  872   2HB   SER 116          HB1       SER 116 -14.066 -10.050   0.846
  873    HG   SER 116           HG       SER 116 -14.944  -8.564   2.155
  874    H    HIS 117           HN       HIS 117 -16.316  -6.751  -0.107
  875    HA   HIS 117           HA       HIS 117 -18.587  -7.275  -1.857
  876   1HB   HIS 117          HB2       HIS 117 -18.845  -6.821   1.124
  877   2HB   HIS 117          HB1       HIS 117 -20.187  -6.708  -0.008
  878    HD1  HIS 117           HD1      HIS 117 -21.120  -8.911  -0.970
  879    HD2  HIS 117           HD2      HIS 117 -17.991  -9.425   1.716
  880    HE1  HIS 117           HE1      HIS 117 -21.119 -11.360  -0.402
  881    HE2  HIS 117           HE2      HIS 117 -19.187 -11.658   1.188
  882    HA   PRO 118           HA       PRO 118 -17.877  -2.848  -2.087
  883   1HB   PRO 118          HB2       PRO 118 -18.847  -2.499  -4.549
  884   2HB   PRO 118          HB1       PRO 118 -17.325  -3.353  -4.274
  885   1HG   PRO 118          HG2       PRO 118 -19.981  -4.422  -5.031
  886   2HG   PRO 118          HG1       PRO 118 -18.369  -5.070  -5.369
  887   1HD   PRO 118          HD2       PRO 118 -20.177  -5.858  -3.302
  888   2HD   PRO 118          HD1       PRO 118 -18.535  -6.462  -3.595
  889    H    LEU 119           HN       LEU 119 -19.693  -1.402  -3.773
  890    HA   LEU 119           HA       LEU 119 -21.401  -0.166  -2.156
  891   1HB   LEU 119          HB2       LEU 119 -22.569  -0.827  -4.799
  892   2HB   LEU 119          HB1       LEU 119 -22.420   0.713  -3.983
  893    HG   LEU 119           HG       LEU 119 -21.038   0.926  -5.840
  894   1HD1  LEU 119          HD11      LEU 119 -19.236   0.056  -3.591
  895   2HD1  LEU 119          HD12      LEU 119 -19.913   1.669  -3.825
  896   3HD1  LEU 119          HD13      LEU 119 -18.752   1.023  -4.985
  897   1HD2  LEU 119          HD21      LEU 119 -19.988  -1.831  -5.257
  898   2HD2  LEU 119          HD22      LEU 119 -19.376  -0.760  -6.518
  899   3HD2  LEU 119          HD23      LEU 119 -21.036  -1.354  -6.594
  900    HA   PRO 120           HA       PRO 120 -24.332  -3.303  -0.885
  901   1HB   PRO 120          HB2       PRO 120 -25.663  -1.795   0.897
  902   2HB   PRO 120          HB1       PRO 120 -24.030  -2.389   1.221
  903   1HG   PRO 120          HG2       PRO 120 -24.915   0.315   0.288
  904   2HG   PRO 120          HG1       PRO 120 -23.701  -0.103   1.511
  905   1HD   PRO 120          HD2       PRO 120 -23.084   0.592  -1.058
  906   2HD   PRO 120          HD1       PRO 120 -22.072  -0.466  -0.056
  907    H    GLN 121           HN       GLN 121 -26.927  -2.593  -0.119
  908    HA   GLN 121           HA       GLN 121 -28.064  -1.737  -2.685
  909   1HB   GLN 121          HB2       GLN 121 -28.828  -3.735  -0.628
  910   2HB   GLN 121          HB1       GLN 121 -30.132  -2.903  -1.455
  911   1HG   GLN 121          HG2       GLN 121 -29.306  -3.663  -3.597
  912   2HG   GLN 121          HG1       GLN 121 -27.920  -4.421  -2.814
  913   1HE2  GLN 121          HE21      GLN 121 -31.362  -4.571  -3.325
  914   2HE2  GLN 121          HE22      GLN 121 -31.569  -6.206  -2.809
  915    H    CYS 122           HN       CYS 122 -28.836   0.285  -2.699
  916    HA   CYS 122           HA       CYS 122 -29.874   1.422  -0.194
  917   1HB   CYS 122          HB2       CYS 122 -29.068   2.705  -2.817
  918   2HB   CYS 122          HB1       CYS 122 -29.855   3.586  -1.514
  919    H    GLU 123           HN       GLU 123 -32.012   0.823   0.029
  920    HA   GLU 123           HA       GLU 123 -33.648   0.459  -2.283
  921   1HB   GLU 123          HB2       GLU 123 -33.920  -0.737  -0.016
  922   2HB   GLU 123          HB1       GLU 123 -34.685   0.744   0.540
  923   1HG   GLU 123          HG2       GLU 123 -36.430   0.516  -1.101
  924   2HG   GLU 123          HG1       GLU 123 -35.629  -0.887  -1.807
  925    H    ILE 124           HN       ILE 124 -35.788   1.956  -0.388
  926    HA   ILE 124           HA       ILE 124 -35.280   4.650  -1.127
  927    HB   ILE 124           HB       ILE 124 -35.957   3.765  -3.312
  928   1HG1  ILE 124          HG12      ILE 124 -38.191   5.485  -2.245
  929   2HG1  ILE 124          HG11      ILE 124 -36.559   6.106  -2.465
  930   1HG2  ILE 124          HG21      ILE 124 -37.385   1.942  -2.530
  931   2HG2  ILE 124          HG22      ILE 124 -38.215   2.960  -3.706
  932   3HG2  ILE 124          HG23      ILE 124 -38.584   3.116  -1.988
  933   1HD1  ILE 124          HD11      ILE 124 -36.680   5.560  -4.844
  934   2HD1  ILE 124          HD12      ILE 124 -37.954   6.675  -4.351
  935   3HD1  ILE 124          HD13      ILE 124 -38.328   4.973  -4.616
  936    H    LEU 125           HN       LEU 125 -36.157   5.837   0.423
  937    HA   LEU 125           HA       LEU 125 -37.822   4.788   2.420
  938   1HB   LEU 125          HB2       LEU 125 -37.456   7.700   1.721
  939   2HB   LEU 125          HB1       LEU 125 -37.970   7.047   3.265
  940    HG   LEU 125           HG       LEU 125 -35.240   6.644   2.030
  941   1HD1  LEU 125          HD11      LEU 125 -34.449   8.147   3.780
  942   2HD1  LEU 125          HD12      LEU 125 -36.109   8.406   4.316
  943   3HD1  LEU 125          HD13      LEU 125 -35.602   8.955   2.719
  944   1HD2  LEU 125          HD21      LEU 125 -35.970   4.784   3.463
  945   2HD2  LEU 125          HD22      LEU 125 -36.258   5.925   4.776
  946   3HD2  LEU 125          HD23      LEU 125 -34.621   5.679   4.165
  947    H    GLU 126           HN       GLU 126 -38.550   5.918  -0.692
  948    HA   GLU 126           HA       GLU 126 -40.477   6.205  -1.852
  949   1HB   GLU 126          HB2       GLU 126 -41.047   4.009  -0.967
  950   2HB   GLU 126          HB1       GLU 126 -41.670   4.739   0.506
  951   1HG   GLU 126          HG2       GLU 126 -43.458   4.070  -1.014
  952   2HG   GLU 126          HG1       GLU 126 -43.447   5.811  -0.736
  953    H    HIS 127           HN       HIS 127 -40.921   8.307  -2.007
  954    HA   HIS 127           HA       HIS 127 -43.062   9.449  -0.596
  955   1HB   HIS 127          HB2       HIS 127 -41.910  11.203   0.671
  956   2HB   HIS 127          HB1       HIS 127 -41.458   9.605   1.256
  957    HD1  HIS 127           HD1      HIS 127 -39.020   8.868   0.935
  958    HD2  HIS 127           HD2      HIS 127 -39.845  12.653  -0.570
  959    HE1  HIS 127           HE1      HIS 127 -36.779   9.907   0.463
  960    HE2  HIS 127           HE2      HIS 127 -37.304  12.170  -0.513
  961    H    HIS 128           HN       HIS 128 -41.081   9.231  -3.121
  962    HA   HIS 128           HA       HIS 128 -41.163  12.003  -3.989
  963   1HB   HIS 128          HB2       HIS 128 -40.115   9.506  -5.338
  964   2HB   HIS 128          HB1       HIS 128 -40.009  11.126  -6.021
  965    HD1  HIS 128           HD1      HIS 128 -38.383   8.849  -3.618
  966    HD2  HIS 128           HD2      HIS 128 -38.219  12.876  -4.631
  967    HE1  HIS 128           HE1      HIS 128 -36.269   9.720  -2.571
  968    HE2  HIS 128           HE2      HIS 128 -36.147  12.137  -3.273
  969    H    HIS 129           HN       HIS 129 -42.208   8.906  -5.424
  970    HA   HIS 129           HA       HIS 129 -44.008   8.334  -6.685
  971   1HB   HIS 129          HB2       HIS 129 -45.186  10.893  -5.583
  972   2HB   HIS 129          HB1       HIS 129 -46.086   9.662  -6.464
  973    HD1  HIS 129           HD1      HIS 129 -44.531  10.368  -3.144
  974    HD2  HIS 129           HD2      HIS 129 -46.681   7.341  -5.011
  975    HE1  HIS 129           HE1      HIS 129 -45.236   8.809  -1.301
  976    HE2  HIS 129           HE2      HIS 129 -46.614   7.035  -2.444
  977    H    HIS 130           HN       HIS 130 -44.152   8.401  -8.825
  978    HA   HIS 130           HA       HIS 130 -43.782  10.990 -10.180
  979   1HB   HIS 130          HB2       HIS 130 -42.657   8.311 -11.026
  980   2HB   HIS 130          HB1       HIS 130 -42.550   9.796 -11.965
  981    HD1  HIS 130           HD1      HIS 130 -40.989   7.990  -9.144
  982    HD2  HIS 130           HD2      HIS 130 -40.788  11.759 -10.880
  983    HE1  HIS 130           HE1      HIS 130 -38.907   9.048  -8.213
  984    HE2  HIS 130           HE2      HIS 130 -38.763  11.297  -9.340
  985    H    HIS 131           HN       HIS 131 -45.435   7.951 -10.002
  986    HA   HIS 131           HA       HIS 131 -46.832   8.332 -12.512
  987   1HB   HIS 131          HB2       HIS 131 -48.003   6.243 -11.918
  988   2HB   HIS 131          HB1       HIS 131 -46.255   6.063 -11.827
  989    HD1  HIS 131           HD1      HIS 131 -45.235   6.134  -9.334
  990    HD2  HIS 131           HD2      HIS 131 -49.342   5.576  -9.637
  991    HE1  HIS 131           HE1      HIS 131 -45.960   5.247  -7.095
  992    HE2  HIS 131           HE2      HIS 131 -48.460   4.994  -7.276
  993    H    HIS 132           HN       HIS 132 -49.021   8.781 -12.742
  994    HA   HIS 132           HA       HIS 132 -50.133  10.456 -10.683
  995   1HB   HIS 132          HB2       HIS 132 -50.335  11.009 -13.092
  996   2HB   HIS 132          HB1       HIS 132 -51.344   9.584 -13.316
  997    HD1  HIS 132           HD1      HIS 132 -53.795   9.860 -12.914
  998    HD2  HIS 132           HD2      HIS 132 -51.571  13.023 -11.390
  999    HE1  HIS 132           HE1      HIS 132 -55.481  11.572 -12.171
 1000    HE2  HIS 132           HE2      HIS 132 -54.114  13.448 -11.191
  Start of MODEL   34
    1   1H    MET   0           HT1      MET   0  34.774  -1.879  -0.829
    2   2H    MET   0           HT2      MET   0  33.787  -3.209  -1.170
    3   3H    MET   0           HT3      MET   0  35.190  -3.414  -0.249
    4    HA   MET   0           HA       MET   0  33.240  -3.458   1.151
    5   1HB   MET   0          HB2       MET   0  34.972  -0.999   1.460
    6   2HB   MET   0          HB1       MET   0  33.924  -1.641   2.718
    7   1HG   MET   0          HG2       MET   0  36.288  -3.028   1.475
    8   2HG   MET   0          HG1       MET   0  36.205  -2.329   3.091
    9   1HE   MET   0          HE1       MET   0  37.205  -5.243   2.545
   10   2HE   MET   0          HE2       MET   0  36.345  -6.207   3.746
   11   3HE   MET   0          HE3       MET   0  37.038  -4.650   4.198
   12    H    ASN   1           HN       ASN   1  33.224  -1.061  -1.250
   13    HA   ASN   1           HA       ASN   1  30.753   0.119  -0.171
   14   1HB   ASN   1          HB2       ASN   1  32.949   1.194  -1.870
   15   2HB   ASN   1          HB1       ASN   1  31.320   1.792  -2.172
   16   1HD2  ASN   1          HD21      ASN   1  30.244   2.923  -0.563
   17   2HD2  ASN   1          HD22      ASN   1  31.075   3.642   0.768
   18    H    CYS   2           HN       CYS   2  28.901   0.173  -1.371
   19    HA   CYS   2           HA       CYS   2  28.811  -1.693  -3.615
   20   1HB   CYS   2          HB2       CYS   2  26.655  -0.488  -1.876
   21   2HB   CYS   2          HB1       CYS   2  26.310  -1.472  -3.294
   22    H    GLY   3           HN       GLY   3  27.178  -1.068  -5.386
   23   1HA   GLY   3          HA2       GLY   3  28.052   1.363  -6.581
   24   2HA   GLY   3          HA1       GLY   3  26.750   0.334  -7.171
   25    HA   PRO   4           HA       PRO   4  25.446   4.558  -5.011
   26   1HB   PRO   4          HB2       PRO   4  24.562   4.921  -7.853
   27   2HB   PRO   4          HB1       PRO   4  25.079   6.134  -6.674
   28   1HG   PRO   4          HG2       PRO   4  26.761   5.349  -8.561
   29   2HG   PRO   4          HG1       PRO   4  27.335   5.574  -6.899
   30   1HD   PRO   4          HD2       PRO   4  26.768   3.044  -8.378
   31   2HD   PRO   4          HD1       PRO   4  28.030   3.394  -7.181
   32    HA   PRO   5           HA       PRO   5  21.657   2.372  -4.175
   33   1HB   PRO   5          HB2       PRO   5  20.755   5.176  -3.653
   34   2HB   PRO   5          HB1       PRO   5  20.520   3.719  -2.679
   35   1HG   PRO   5          HG2       PRO   5  22.370   5.499  -2.001
   36   2HG   PRO   5          HG1       PRO   5  22.696   3.762  -1.857
   37   1HD   PRO   5          HD2       PRO   5  23.681   5.717  -3.874
   38   2HD   PRO   5          HD1       PRO   5  24.485   4.284  -3.205
   39    HA   PRO   6           HA       PRO   6  19.924   3.125  -8.322
   40   1HB   PRO   6          HB2       PRO   6  18.257   0.919  -8.116
   41   2HB   PRO   6          HB1       PRO   6  19.899   0.886  -8.767
   42   1HG   PRO   6          HG2       PRO   6  18.910   0.145  -6.048
   43   2HG   PRO   6          HG1       PRO   6  20.165  -0.626  -7.037
   44   1HD   PRO   6          HD2       PRO   6  20.780   0.967  -4.968
   45   2HD   PRO   6          HD1       PRO   6  21.767   0.934  -6.444
   46    H    THR   7           HN       THR   7  17.522   2.737  -8.987
   47    HA   THR   7           HA       THR   7  15.907   4.426  -7.205
   48    HB   THR   7           HB       THR   7  15.390   3.722 -10.104
   49    HG1  THR   7           HG1      THR   7  17.063   5.073 -10.270
   50   1HG2  THR   7          HG21      THR   7  13.750   5.491 -10.054
   51   2HG2  THR   7          HG22      THR   7  14.175   5.890  -8.389
   52   3HG2  THR   7          HG23      THR   7  13.395   4.352  -8.755
   53    H    LEU   8           HN       LEU   8  14.117   3.614  -6.209
   54    HA   LEU   8           HA       LEU   8  13.364   0.867  -6.932
   55   1HB   LEU   8          HB2       LEU   8  12.857   2.252  -4.308
   56   2HB   LEU   8          HB1       LEU   8  12.670   0.546  -4.664
   57    HG   LEU   8           HG       LEU   8  15.297   2.037  -4.593
   58   1HD1  LEU   8          HD11      LEU   8  14.102   0.063  -2.651
   59   2HD1  LEU   8          HD12      LEU   8  14.303   1.794  -2.378
   60   3HD1  LEU   8          HD13      LEU   8  15.719   0.759  -2.557
   61   1HD2  LEU   8          HD21      LEU   8  15.317   0.189  -6.181
   62   2HD2  LEU   8          HD22      LEU   8  14.708  -0.900  -4.935
   63   3HD2  LEU   8          HD23      LEU   8  16.308  -0.178  -4.770
   64    H    SER   9           HN       SER   9  11.068   0.481  -5.813
   65    HA   SER   9           HA       SER   9   9.229   2.576  -6.763
   66   1HB   SER   9          HB2       SER   9   8.957  -0.414  -7.170
   67   2HB   SER   9          HB1       SER   9   7.717   0.775  -7.573
   68    HG   SER   9           HG       SER   9   9.330   0.012  -9.261
   69    H    PHE  10           HN       PHE  10   9.470  -0.404  -4.847
   70    HA   PHE  10           HA       PHE  10   7.172   0.017  -3.294
   71   1HB   PHE  10          HB2       PHE  10   8.515  -1.489  -1.617
   72   2HB   PHE  10          HB1       PHE  10   7.949  -2.157  -3.145
   73    HD1  PHE  10           HD1      PHE  10   9.456  -2.946  -4.773
   74    HD2  PHE  10           HD2      PHE  10  10.904  -0.824  -1.380
   75    HE1  PHE  10           HE1      PHE  10  11.756  -3.606  -5.347
   76    HE2  PHE  10           HE2      PHE  10  13.206  -1.479  -1.949
   77    HZ   PHE  10           HZ       PHE  10  13.635  -2.871  -3.935
   78    H    ALA  11           HN       ALA  11  10.234   1.511  -3.260
   79    HA   ALA  11           HA       ALA  11   9.402   3.166  -1.008
   80   1HB   ALA  11          HB1       ALA  11  12.047   1.725  -1.045
   81   2HB   ALA  11          HB2       ALA  11  10.669   1.317  -0.021
   82   3HB   ALA  11          HB3       ALA  11  11.489   2.866   0.180
   83    H    ALA  12           HN       ALA  12  10.444   5.167  -0.882
   84    HA   ALA  12           HA       ALA  12  12.208   5.822  -3.149
   85   1HB   ALA  12          HB1       ALA  12  10.149   7.629  -1.885
   86   2HB   ALA  12          HB2       ALA  12   9.941   6.754  -3.402
   87   3HB   ALA  12          HB3       ALA  12  11.174   8.009  -3.268
   88    HA   PRO  13           HA       PRO  13  15.381   7.284  -0.455
   89   1HB   PRO  13          HB2       PRO  13  15.274   9.821  -2.024
   90   2HB   PRO  13          HB1       PRO  13  16.662   8.803  -1.627
   91   1HG   PRO  13          HG2       PRO  13  15.601   8.764  -4.069
   92   2HG   PRO  13          HG1       PRO  13  16.191   7.276  -3.307
   93   1HD   PRO  13          HD2       PRO  13  13.394   8.213  -3.727
   94   2HD   PRO  13          HD1       PRO  13  14.048   6.562  -3.729
   95    H    MET  14           HN       MET  14  15.407   8.297   1.499
   96    HA   MET  14           HA       MET  14  13.818  10.690   1.911
   97   1HB   MET  14          HB2       MET  14  12.197   8.903   2.273
   98   2HB   MET  14          HB1       MET  14  13.271   8.140   3.435
   99   1HG   MET  14          HG2       MET  14  12.421  10.944   3.918
  100   2HG   MET  14          HG1       MET  14  11.262   9.645   4.195
  101   1HE   MET  14          HE1       MET  14  11.042  10.385   6.719
  102   2HE   MET  14          HE2       MET  14  12.221  11.675   6.485
  103   3HE   MET  14          HE3       MET  14  12.404  10.543   7.825
  104    H    ASP  15           HN       ASP  15  16.406   8.663   2.695
  105    HA   ASP  15           HA       ASP  15  17.431  10.627   4.568
  106   1HB   ASP  15          HB2       ASP  15  16.194   8.991   5.982
  107   2HB   ASP  15          HB1       ASP  15  17.244   7.716   5.370
  108    H    ILE  16           HN       ILE  16  18.754  10.883   2.645
  109    HA   ILE  16           HA       ILE  16  21.242   9.569   2.882
  110    HB   ILE  16           HB       ILE  16  20.326   7.763   1.710
  111   1HG1  ILE  16          HG12      ILE  16  21.622   9.539  -0.354
  112   2HG1  ILE  16          HG11      ILE  16  22.477   8.505   0.787
  113   1HG2  ILE  16          HG21      ILE  16  19.022   9.760  -0.108
  114   2HG2  ILE  16          HG22      ILE  16  18.232   8.663   1.025
  115   3HG2  ILE  16          HG23      ILE  16  19.045   8.022  -0.404
  116   1HD1  ILE  16          HD11      ILE  16  22.453   7.426  -1.334
  117   2HD1  ILE  16          HD12      ILE  16  20.709   7.641  -1.484
  118   3HD1  ILE  16          HD13      ILE  16  21.361   6.546  -0.264
  119    H    THR  17           HN       THR  17  22.071  11.660   2.947
  120    HA   THR  17           HA       THR  17  21.495  13.719   1.168
  121    HB   THR  17           HB       THR  17  23.804  14.571   1.638
  122    HG1  THR  17           HG1      THR  17  25.127  12.940   2.069
  123   1HG2  THR  17          HG21      THR  17  22.201  13.665   4.036
  124   2HG2  THR  17          HG22      THR  17  21.966  15.157   3.124
  125   3HG2  THR  17          HG23      THR  17  23.443  14.916   4.055
  126    H    LEU  18           HN       LEU  18  21.662  13.729  -0.979
  127    HA   LEU  18           HA       LEU  18  23.162  11.722  -2.327
  128   1HB   LEU  18          HB2       LEU  18  21.279  13.874  -3.083
  129   2HB   LEU  18          HB1       LEU  18  22.400  13.349  -4.319
  130    HG   LEU  18           HG       LEU  18  20.325  12.140  -4.560
  131   1HD1  LEU  18          HD11      LEU  18  22.379  10.919  -5.050
  132   2HD1  LEU  18          HD12      LEU  18  21.137   9.842  -4.410
  133   3HD1  LEU  18          HD13      LEU  18  22.463  10.375  -3.374
  134   1HD2  LEU  18          HD21      LEU  18  19.490  12.359  -2.288
  135   2HD2  LEU  18          HD22      LEU  18  20.746  11.263  -1.706
  136   3HD2  LEU  18          HD23      LEU  18  19.487  10.668  -2.790
  137    H    THR  19           HN       THR  19  24.730  13.506  -0.728
  138    HA   THR  19           HA       THR  19  26.166  15.212  -2.588
  139    HB   THR  19           HB       THR  19  27.432  15.978  -0.696
  140    HG1  THR  19           HG1      THR  19  27.223  14.955   1.340
  141   1HG2  THR  19          HG21      THR  19  24.529  15.562   0.036
  142   2HG2  THR  19          HG22      THR  19  25.210  16.924  -0.854
  143   3HG2  THR  19          HG23      THR  19  25.617  16.691   0.846
  144    H    GLU  20           HN       GLU  20  26.344  12.068  -1.224
  145    HA   GLU  20           HA       GLU  20  29.069  11.701  -2.269
  146   1HB   GLU  20          HB2       GLU  20  27.557  10.059  -0.225
  147   2HB   GLU  20          HB1       GLU  20  29.184   9.718  -0.798
  148   1HG   GLU  20          HG2       GLU  20  28.286  12.118   0.777
  149   2HG   GLU  20          HG1       GLU  20  29.300  10.790   1.342
  150    H    THR  21           HN       THR  21  29.371   9.253  -2.948
  151    HA   THR  21           HA       THR  21  27.018   8.431  -4.522
  152    HB   THR  21           HB       THR  21  29.805   8.170  -5.606
  153    HG1  THR  21           HG1      THR  21  29.220  10.125  -6.835
  154   1HG2  THR  21          HG21      THR  21  28.568   8.156  -7.765
  155   2HG2  THR  21          HG22      THR  21  27.058   8.205  -6.853
  156   3HG2  THR  21          HG23      THR  21  28.139   6.820  -6.698
  157    H    ARG  22           HN       ARG  22  29.283   7.568  -2.246
  158    HA   ARG  22           HA       ARG  22  28.949   4.709  -2.866
  159   1HB   ARG  22          HB2       ARG  22  31.351   6.024  -1.611
  160   2HB   ARG  22          HB1       ARG  22  31.131   4.294  -1.835
  161   1HG   ARG  22          HG2       ARG  22  31.161   4.551  -4.230
  162   2HG   ARG  22          HG1       ARG  22  31.235   6.308  -4.070
  163   1HD   ARG  22          HD2       ARG  22  33.429   5.300  -4.573
  164   2HD   ARG  22          HD1       ARG  22  33.407   6.170  -3.039
  165    HE   ARG  22           HE       ARG  22  32.837   3.449  -2.589
  166   1HH1  ARG  22          HH11      ARG  22  35.467   5.549  -3.488
  167   2HH1  ARG  22          HH12      ARG  22  36.689   4.524  -2.811
  168   1HH2  ARG  22          HH21      ARG  22  34.442   2.091  -1.694
  169   2HH2  ARG  22          HH22      ARG  22  36.106   2.559  -1.795
  170    H    PHE  23           HN       PHE  23  28.759   3.312  -1.047
  171    HA   PHE  23           HA       PHE  23  28.442   4.490   1.607
  172   1HB   PHE  23          HB2       PHE  23  26.227   2.929   0.253
  173   2HB   PHE  23          HB1       PHE  23  26.210   3.531   1.907
  174    HD1  PHE  23           HD1      PHE  23  25.480   5.714   2.384
  175    HD2  PHE  23           HD2      PHE  23  26.322   4.593  -1.632
  176    HE1  PHE  23           HE1      PHE  23  24.525   7.842   1.590
  177    HE2  PHE  23           HE2      PHE  23  25.382   6.714  -2.430
  178    HZ   PHE  23           HZ       PHE  23  24.474   8.343  -0.819
  179    H    LYS  24           HN       LYS  24  30.106   3.295   2.392
  180    HA   LYS  24           HA       LYS  24  30.979   0.773   1.900
  181   1HB   LYS  24          HB2       LYS  24  31.455   0.649   4.424
  182   2HB   LYS  24          HB1       LYS  24  32.219   1.914   3.477
  183   1HG   LYS  24          HG2       LYS  24  30.542   3.513   4.248
  184   2HG   LYS  24          HG1       LYS  24  29.755   2.236   5.179
  185   1HD   LYS  24          HD2       LYS  24  31.756   1.964   6.536
  186   2HD   LYS  24          HD1       LYS  24  32.587   3.196   5.583
  187   1HE   LYS  24          HE2       LYS  24  30.898   4.844   6.295
  188   2HE   LYS  24          HE1       LYS  24  30.139   3.606   7.297
  189   1HZ   LYS  24          HZ1       LYS  24  32.140   3.446   8.602
  190   2HZ   LYS  24          HZ2       LYS  24  31.630   5.059   8.561
  191   3HZ   LYS  24          HZ3       LYS  24  32.935   4.560   7.606
  192    H    THR  25           HN       THR  25  30.761  -1.227   3.179
  193    HA   THR  25           HA       THR  25  28.109  -2.160   3.144
  194    HB   THR  25           HB       THR  25  29.089  -4.077   4.525
  195    HG1  THR  25           HG1      THR  25  31.344  -2.439   4.159
  196   1HG2  THR  25          HG21      THR  25  30.013  -5.133   2.616
  197   2HG2  THR  25          HG22      THR  25  30.539  -3.590   1.938
  198   3HG2  THR  25          HG23      THR  25  28.823  -3.986   1.995
  199    H    GLY  26           HN       GLY  26  27.062  -3.124   5.155
  200   1HA   GLY  26          HA2       GLY  26  26.268  -2.898   7.316
  201   2HA   GLY  26          HA1       GLY  26  27.710  -1.967   7.691
  202    H    THR  27           HN       THR  27  27.010  -0.145   5.319
  203    HA   THR  27           HA       THR  27  25.759   1.906   6.769
  204    HB   THR  27           HB       THR  27  27.192   1.992   4.588
  205    HG1  THR  27           HG1      THR  27  26.504   3.888   5.531
  206   1HG2  THR  27          HG21      THR  27  24.438   2.046   3.361
  207   2HG2  THR  27          HG22      THR  27  25.500   0.638   3.297
  208   3HG2  THR  27          HG23      THR  27  25.998   2.151   2.538
  209    H    THR  28           HN       THR  28  23.578   2.890   6.216
  210    HA   THR  28           HA       THR  28  21.708   1.091   4.949
  211    HB   THR  28           HB       THR  28  21.443   1.682   7.898
  212    HG1  THR  28           HG1      THR  28  22.312  -0.228   8.109
  213   1HG2  THR  28          HG21      THR  28  19.268   1.794   6.825
  214   2HG2  THR  28          HG22      THR  28  19.396   0.311   7.772
  215   3HG2  THR  28          HG23      THR  28  19.563   0.255   6.017
  216    H    LEU  29           HN       LEU  29  20.260   2.181   3.881
  217    HA   LEU  29           HA       LEU  29  19.967   5.028   4.280
  218   1HB   LEU  29          HB2       LEU  29  18.609   3.153   2.333
  219   2HB   LEU  29          HB1       LEU  29  18.439   4.895   2.325
  220    HG   LEU  29           HG       LEU  29  19.962   4.385   0.601
  221   1HD1  LEU  29          HD11      LEU  29  21.640   5.172   2.976
  222   2HD1  LEU  29          HD12      LEU  29  20.636   6.269   2.027
  223   3HD1  LEU  29          HD13      LEU  29  22.014   5.463   1.275
  224   1HD2  LEU  29          HD21      LEU  29  20.426   2.066   1.460
  225   2HD2  LEU  29          HD22      LEU  29  21.659   2.787   2.495
  226   3HD2  LEU  29          HD23      LEU  29  21.796   2.911   0.742
  227    H    LYS  30           HN       LYS  30  17.098   4.855   3.315
  228    HA   LYS  30           HA       LYS  30  15.766   3.793   5.689
  229   1HB   LYS  30          HB2       LYS  30  16.209   6.153   6.195
  230   2HB   LYS  30          HB1       LYS  30  15.404   6.628   4.706
  231   1HG   LYS  30          HG2       LYS  30  14.014   6.914   6.736
  232   2HG   LYS  30          HG1       LYS  30  13.292   5.853   5.525
  233   1HD   LYS  30          HD2       LYS  30  13.895   3.902   6.772
  234   2HD   LYS  30          HD1       LYS  30  14.856   4.860   7.901
  235   1HE   LYS  30          HE2       LYS  30  12.650   4.189   8.807
  236   2HE   LYS  30          HE1       LYS  30  12.887   5.934   8.756
  237   1HZ   LYS  30          HZ1       LYS  30  11.595   5.990   6.695
  238   2HZ   LYS  30          HZ2       LYS  30  10.692   5.366   7.981
  239   3HZ   LYS  30          HZ3       LYS  30  11.326   4.323   6.809
  240    H    TYR  31           HN       TYR  31  14.806   5.872   2.974
  241    HA   TYR  31           HA       TYR  31  13.325   5.599   1.286
  242   1HB   TYR  31          HB2       TYR  31  13.906   2.709   1.884
  243   2HB   TYR  31          HB1       TYR  31  12.777   3.189   0.623
  244    HD1  TYR  31           HD1      TYR  31  16.277   2.972   1.595
  245    HD2  TYR  31           HD2      TYR  31  13.574   4.379  -1.374
  246    HE1  TYR  31           HE1      TYR  31  18.150   3.238   0.023
  247    HE2  TYR  31           HE2      TYR  31  15.439   4.648  -2.954
  248    HH   TYR  31           HH       TYR  31  18.510   3.328  -2.417
  249    H    THR  32           HN       THR  32  11.242   6.000   1.242
  250    HA   THR  32           HA       THR  32   9.595   5.370   3.522
  251    HB   THR  32           HB       THR  32   8.046   6.899   2.687
  252    HG1  THR  32           HG1      THR  32   9.032   7.078   0.093
  253   1HG2  THR  32          HG21      THR  32   9.335   8.814   1.809
  254   2HG2  THR  32          HG22      THR  32  10.706   7.741   1.533
  255   3HG2  THR  32          HG23      THR  32  10.137   8.039   3.175
  256    H    CYS  33           HN       CYS  33   7.083   5.156   2.340
  257    HA   CYS  33           HA       CYS  33   7.080   2.876   0.558
  258   1HB   CYS  33          HB2       CYS  33   6.594   2.623   3.447
  259   2HB   CYS  33          HB1       CYS  33   5.344   1.909   2.436
  260    H    LEU  34           HN       LEU  34   5.824   3.605  -0.889
  261    HA   LEU  34           HA       LEU  34   3.936   5.597  -0.793
  262   1HB   LEU  34          HB2       LEU  34   3.621   3.186  -2.567
  263   2HB   LEU  34          HB1       LEU  34   3.090   4.827  -2.881
  264    HG   LEU  34           HG       LEU  34   5.945   3.832  -2.821
  265   1HD1  LEU  34          HD11      LEU  34   4.690   3.262  -4.842
  266   2HD1  LEU  34          HD12      LEU  34   5.950   4.452  -5.173
  267   3HD1  LEU  34          HD13      LEU  34   4.265   4.960  -5.056
  268   1HD2  LEU  34          HD21      LEU  34   6.637   6.076  -3.367
  269   2HD2  LEU  34          HD22      LEU  34   5.744   6.092  -1.844
  270   3HD2  LEU  34          HD23      LEU  34   4.963   6.637  -3.330
  271    HA   PRO  35           HA       PRO  35   0.490   4.707   1.741
  272   1HB   PRO  35          HB2       PRO  35  -0.967   5.062  -0.850
  273   2HB   PRO  35          HB1       PRO  35  -1.376   5.676   0.757
  274   1HG   PRO  35          HG2       PRO  35  -0.135   7.204  -1.092
  275   2HG   PRO  35          HG1       PRO  35   0.170   7.379   0.645
  276   1HD   PRO  35          HD2       PRO  35   1.938   6.367  -1.451
  277   2HD   PRO  35          HD1       PRO  35   2.330   6.850   0.210
  278    H    GLY  36           HN       GLY  36  -0.450   3.440  -1.420
  279   1HA   GLY  36          HA2       GLY  36  -1.802   1.211  -0.352
  280   2HA   GLY  36          HA1       GLY  36  -1.350   1.417  -2.034
  281    H    TYR  37           HN       TYR  37   1.544   1.641  -1.145
  282    HA   TYR  37           HA       TYR  37   2.254  -1.040  -1.679
  283   1HB   TYR  37          HB2       TYR  37   3.668   1.435  -1.011
  284   2HB   TYR  37          HB1       TYR  37   4.441   0.010  -0.326
  285    HD1  TYR  37           HD1      TYR  37   4.487  -2.041  -2.137
  286    HD2  TYR  37           HD2      TYR  37   4.467   2.113  -3.042
  287    HE1  TYR  37           HE1      TYR  37   5.493  -2.523  -4.329
  288    HE2  TYR  37           HE2      TYR  37   5.479   1.646  -5.236
  289    HH   TYR  37           HH       TYR  37   6.808  -0.096  -6.318
  290    H    VAL  38           HN       VAL  38   1.089  -2.363  -0.253
  291    HA   VAL  38           HA       VAL  38   1.326  -2.159   2.578
  292    HB   VAL  38           HB       VAL  38  -0.061  -3.853   0.592
  293   1HG1  VAL  38          HG11      VAL  38  -0.633  -5.616   2.093
  294   2HG1  VAL  38          HG12      VAL  38   0.323  -4.885   3.388
  295   3HG1  VAL  38          HG13      VAL  38   1.123  -5.528   1.953
  296   1HG2  VAL  38          HG21      VAL  38  -1.972  -3.423   1.953
  297   2HG2  VAL  38          HG22      VAL  38  -1.084  -1.915   1.730
  298   3HG2  VAL  38          HG23      VAL  38  -0.961  -2.793   3.256
  299    H    ARG  39           HN       ARG  39   2.909  -2.938   3.791
  300    HA   ARG  39           HA       ARG  39   5.005  -4.516   2.629
  301   1HB   ARG  39          HB2       ARG  39   6.117  -4.255   4.782
  302   2HB   ARG  39          HB1       ARG  39   5.485  -2.711   4.223
  303   1HG   ARG  39          HG2       ARG  39   3.836  -2.646   5.829
  304   2HG   ARG  39          HG1       ARG  39   3.856  -4.394   6.071
  305   1HD   ARG  39          HD2       ARG  39   4.841  -3.346   7.988
  306   2HD   ARG  39          HD1       ARG  39   6.109  -4.174   7.086
  307    HE   ARG  39           HE       ARG  39   5.806  -1.381   6.437
  308   1HH1  ARG  39          HH11      ARG  39   7.380  -3.725   8.480
  309   2HH1  ARG  39          HH12      ARG  39   8.701  -2.679   8.882
  310   1HH2  ARG  39          HH21      ARG  39   7.541   0.002   6.960
  311   2HH2  ARG  39          HH22      ARG  39   8.795  -0.562   8.013
  312    H    SER  40           HN       SER  40   5.735  -6.512   3.265
  313    HA   SER  40           HA       SER  40   3.748  -8.230   4.596
  314   1HB   SER  40          HB2       SER  40   4.123  -8.893   2.281
  315   2HB   SER  40          HB1       SER  40   5.868  -8.922   2.538
  316    HG   SER  40           HG       SER  40   4.155 -10.522   4.100
  317    H    HIS  41           HN       HIS  41   6.330  -6.544   5.283
  318    HA   HIS  41           HA       HIS  41   7.988  -6.555   6.814
  319   1HB   HIS  41          HB2       HIS  41   7.014  -8.949   8.223
  320   2HB   HIS  41          HB1       HIS  41   7.471  -7.380   8.859
  321    HD1  HIS  41           HD1      HIS  41   4.537  -9.311   7.650
  322    HD2  HIS  41           HD2      HIS  41   5.406  -5.459   8.941
  323    HE1  HIS  41           HE1      HIS  41   2.308  -8.223   8.066
  324    HE2  HIS  41           HE2      HIS  41   2.859  -5.863   8.752
  325    H    SER  42           HN       SER  42   9.904  -7.071   6.195
  326    HA   SER  42           HA       SER  42  11.036  -9.636   6.543
  327   1HB   SER  42          HB2       SER  42  10.473  -8.742   3.706
  328   2HB   SER  42          HB1       SER  42  11.702  -9.941   4.105
  329    HG   SER  42           HG       SER  42  10.125 -11.298   4.858
  330    H    THR  43           HN       THR  43  10.994  -6.406   5.591
  331    HA   THR  43           HA       THR  43  13.544  -5.767   6.587
  332    HB   THR  43           HB       THR  43  13.659  -5.104   3.732
  333    HG1  THR  43           HG1      THR  43  13.327  -7.099   3.091
  334   1HG2  THR  43          HG21      THR  43  15.443  -4.604   5.363
  335   2HG2  THR  43          HG22      THR  43  16.016  -5.615   4.035
  336   3HG2  THR  43          HG23      THR  43  15.677  -6.336   5.610
  337    H    GLN  44           HN       GLN  44  14.120  -3.496   5.084
  338    HA   GLN  44           HA       GLN  44  12.044  -1.855   4.298
  339   1HB   GLN  44          HB2       GLN  44  11.198  -2.211   6.617
  340   2HB   GLN  44          HB1       GLN  44  12.667  -1.476   7.236
  341   1HG   GLN  44          HG2       GLN  44  10.724   0.046   7.208
  342   2HG   GLN  44          HG1       GLN  44  12.097   0.637   6.272
  343   1HE2  GLN  44          HE21      GLN  44  11.955   0.723   4.037
  344   2HE2  GLN  44          HE22      GLN  44  10.446   0.609   3.203
  345    H    THR  45           HN       THR  45  15.074  -2.523   4.398
  346    HA   THR  45           HA       THR  45  15.952   0.203   3.935
  347    HB   THR  45           HB       THR  45  17.786   0.199   5.440
  348    HG1  THR  45           HG1      THR  45  18.452  -1.602   6.536
  349   1HG2  THR  45          HG21      THR  45  16.713  -0.145   7.665
  350   2HG2  THR  45          HG22      THR  45  15.334  -0.872   6.837
  351   3HG2  THR  45          HG23      THR  45  15.746   0.821   6.551
  352    H    LEU  46           HN       LEU  46  18.235   0.242   3.170
  353    HA   LEU  46           HA       LEU  46  18.888  -2.178   1.619
  354   1HB   LEU  46          HB2       LEU  46  18.772   0.690   0.780
  355   2HB   LEU  46          HB1       LEU  46  19.973  -0.352   0.042
  356    HG   LEU  46           HG       LEU  46  18.256  -1.805  -0.843
  357   1HD1  LEU  46          HD11      LEU  46  16.335  -0.054   0.677
  358   2HD1  LEU  46          HD12      LEU  46  16.640  -1.774   0.917
  359   3HD1  LEU  46          HD13      LEU  46  15.857  -1.216  -0.562
  360   1HD2  LEU  46          HD21      LEU  46  17.329  -0.373  -2.468
  361   2HD2  LEU  46          HD22      LEU  46  18.861   0.367  -2.002
  362   3HD2  LEU  46          HD23      LEU  46  17.342   1.008  -1.371
  363    H    THR  47           HN       THR  47  20.633  -3.030   2.551
  364    HA   THR  47           HA       THR  47  22.718  -1.220   3.590
  365    HB   THR  47           HB       THR  47  22.290  -4.136   4.277
  366    HG1  THR  47           HG1      THR  47  21.230  -3.427   6.076
  367   1HG2  THR  47          HG21      THR  47  23.817  -3.658   6.142
  368   2HG2  THR  47          HG22      THR  47  24.039  -2.018   5.534
  369   3HG2  THR  47          HG23      THR  47  24.590  -3.393   4.579
  370    H    CYS  48           HN       CYS  48  24.863  -1.513   2.978
  371    HA   CYS  48           HA       CYS  48  25.237  -2.876   0.481
  372   1HB   CYS  48          HB2       CYS  48  26.408  -0.752   0.956
  373   2HB   CYS  48          HB1       CYS  48  27.266  -1.525   2.282
  374    H    ASN  49           HN       ASN  49  25.548  -4.950   0.352
  375    HA   ASN  49           HA       ASN  49  26.643  -6.406   2.636
  376   1HB   ASN  49          HB2       ASN  49  25.957  -8.417   1.142
  377   2HB   ASN  49          HB1       ASN  49  24.676  -7.459   1.885
  378   1HD2  ASN  49          HD21      ASN  49  23.601  -5.897   0.595
  379   2HD2  ASN  49          HD22      ASN  49  23.500  -6.102  -1.119
  380    H    SER  50           HN       SER  50  28.023  -8.425   1.802
  381    HA   SER  50           HA       SER  50  30.289  -7.246   0.429
  382   1HB   SER  50          HB2       SER  50  30.675  -8.627   2.423
  383   2HB   SER  50          HB1       SER  50  29.935 -10.014   1.619
  384    HG   SER  50           HG       SER  50  31.710  -9.355  -0.054
  385    H    ASP  51           HN       ASP  51  28.626  -7.092  -1.395
  386    HA   ASP  51           HA       ASP  51  29.212  -9.136  -3.414
  387   1HB   ASP  51          HB2       ASP  51  26.398  -8.245  -2.794
  388   2HB   ASP  51          HB1       ASP  51  26.898  -9.380  -4.045
  389    H    GLY  52           HN       GLY  52  29.162  -6.044  -2.452
  390   1HA   GLY  52          HA2       GLY  52  29.307  -4.038  -3.534
  391   2HA   GLY  52          HA1       GLY  52  29.577  -4.963  -5.002
  392    H    GLU  53           HN       GLU  53  26.737  -5.716  -3.410
  393    HA   GLU  53           HA       GLU  53  25.136  -3.777  -4.946
  394   1HB   GLU  53          HB2       GLU  53  23.679  -5.427  -5.767
  395   2HB   GLU  53          HB1       GLU  53  25.284  -6.106  -6.000
  396   1HG   GLU  53          HG2       GLU  53  24.963  -7.358  -3.852
  397   2HG   GLU  53          HG1       GLU  53  23.288  -6.810  -3.869
  398    H    TRP  54           HN       TRP  54  22.797  -3.782  -4.184
  399    HA   TRP  54           HA       TRP  54  22.781  -3.757  -1.275
  400   1HB   TRP  54          HB2       TRP  54  20.736  -2.696  -3.237
  401   2HB   TRP  54          HB1       TRP  54  20.789  -2.389  -1.509
  402    HD1  TRP  54           HD1      TRP  54  22.124  -1.118  -4.766
  403    HE1  TRP  54           HE1      TRP  54  23.705   0.868  -4.348
  404    HE3  TRP  54           HE3      TRP  54  22.587  -1.504   0.305
  405    HZ2  TRP  54           HZ2      TRP  54  24.991   2.110  -2.153
  406    HZ3  TRP  54           HZ3      TRP  54  24.007   0.118   1.490
  407    HH2  TRP  54           HH2      TRP  54  25.180   1.886   0.285
  408    H    VAL  55           HN       VAL  55  22.045  -5.385  -0.227
  409    HA   VAL  55           HA       VAL  55  20.311  -7.402  -1.496
  410    HB   VAL  55           HB       VAL  55  22.405  -7.438   0.628
  411   1HG1  VAL  55          HG11      VAL  55  21.564  -9.454   1.646
  412   2HG1  VAL  55          HG12      VAL  55  20.133  -9.412   0.614
  413   3HG1  VAL  55          HG13      VAL  55  20.390  -8.152   1.821
  414   1HG2  VAL  55          HG21      VAL  55  23.002  -8.300  -1.515
  415   2HG2  VAL  55          HG22      VAL  55  21.569  -9.329  -1.561
  416   3HG2  VAL  55          HG23      VAL  55  22.862  -9.664  -0.406
  417    H    TYR  56           HN       TYR  56  18.400  -8.023  -0.523
  418    HA   TYR  56           HA       TYR  56  17.509  -7.580   1.951
  419   1HB   TYR  56          HB2       TYR  56  16.215  -5.481   1.961
  420   2HB   TYR  56          HB1       TYR  56  17.922  -5.161   1.679
  421    HD1  TYR  56           HD1      TYR  56  14.598  -4.680   0.471
  422    HD2  TYR  56           HD2      TYR  56  18.671  -4.804  -0.753
  423    HE1  TYR  56           HE1      TYR  56  14.018  -3.442  -1.572
  424    HE2  TYR  56           HE2      TYR  56  18.101  -3.567  -2.797
  425    HH   TYR  56           HH       TYR  56  15.138  -1.998  -3.232
  426    H    ASN  57           HN       ASN  57  15.000  -7.438   2.143
  427    HA   ASN  57           HA       ASN  57  13.906  -8.985  -0.093
  428   1HB   ASN  57          HB2       ASN  57  12.854  -8.612   2.721
  429   2HB   ASN  57          HB1       ASN  57  12.124  -9.635   1.487
  430   1HD2  ASN  57          HD21      ASN  57  13.130 -11.551   0.899
  431   2HD2  ASN  57          HD22      ASN  57  14.365 -12.274   1.866
  432    H    THR  58           HN       THR  58  11.488  -8.629  -0.471
  433    HA   THR  58           HA       THR  58  11.113  -5.788  -0.976
  434    HB   THR  58           HB       THR  58   9.308  -8.063  -1.805
  435    HG1  THR  58           HG1      THR  58  10.528  -8.248  -3.614
  436   1HG2  THR  58          HG21      THR  58   9.627  -5.237  -2.824
  437   2HG2  THR  58          HG22      THR  58   8.250  -5.879  -1.927
  438   3HG2  THR  58          HG23      THR  58   8.596  -6.467  -3.553
  439    H    PHE  59           HN       PHE  59  10.603  -4.945   1.033
  440    HA   PHE  59           HA       PHE  59   8.762  -6.046   2.830
  441   1HB   PHE  59          HB2       PHE  59   8.581  -3.415   3.437
  442   2HB   PHE  59          HB1       PHE  59   9.909  -4.447   3.954
  443    HD1  PHE  59           HD1      PHE  59   8.927  -1.644   1.886
  444    HD2  PHE  59           HD2      PHE  59  12.067  -4.382   2.758
  445    HE1  PHE  59           HE1      PHE  59  10.530  -0.163   0.752
  446    HE2  PHE  59           HE2      PHE  59  13.675  -2.905   1.624
  447    HZ   PHE  59           HZ       PHE  59  12.907  -0.792   0.619
  448    H    CYS  60           HN       CYS  60   7.977  -2.862   1.583
  449    HA   CYS  60           HA       CYS  60   5.214  -3.455   1.453
  450   1HB   CYS  60          HB2       CYS  60   6.737  -1.137   0.236
  451   2HB   CYS  60          HB1       CYS  60   4.992  -1.214   0.457
  452    H    ILE  61           HN       ILE  61   4.205  -4.602  -0.061
  453    HA   ILE  61           HA       ILE  61   5.416  -4.730  -2.734
  454    HB   ILE  61           HB       ILE  61   4.419  -6.916  -3.021
  455   1HG1  ILE  61          HG12      ILE  61   3.381  -6.576  -0.195
  456   2HG1  ILE  61          HG11      ILE  61   2.395  -6.565  -1.655
  457   1HG2  ILE  61          HG21      ILE  61   5.879  -6.726  -0.388
  458   2HG2  ILE  61          HG22      ILE  61   6.636  -6.736  -1.981
  459   3HG2  ILE  61          HG23      ILE  61   5.755  -8.155  -1.415
  460   1HD1  ILE  61          HD11      ILE  61   2.267  -8.700  -0.504
  461   2HD1  ILE  61          HD12      ILE  61   4.014  -8.893  -0.648
  462   3HD1  ILE  61          HD13      ILE  61   3.005  -8.879  -2.094
  463    H    TYR  62           HN       TYR  62   2.847  -3.321  -1.174
  464    HA   TYR  62           HA       TYR  62   0.929  -2.268  -1.985
  465   1HB   TYR  62          HB2       TYR  62   2.697  -2.305  -4.123
  466   2HB   TYR  62          HB1       TYR  62   1.205  -2.970  -4.780
  467    HD1  TYR  62           HD1      TYR  62   2.972  -0.062  -4.343
  468    HD2  TYR  62           HD2      TYR  62  -0.977  -1.558  -3.914
  469    HE1  TYR  62           HE1      TYR  62   2.114   2.230  -4.502
  470    HE2  TYR  62           HE2      TYR  62  -1.863   0.733  -4.082
  471    HH   TYR  62           HH       TYR  62   0.064   3.383  -5.076
  472    H    LYS  63           HN       LYS  63  -0.987  -3.228  -1.568
  473    HA   LYS  63           HA       LYS  63  -2.115  -4.999  -3.526
  474   1HB   LYS  63          HB2       LYS  63  -2.602  -6.784  -1.901
  475   2HB   LYS  63          HB1       LYS  63  -0.875  -6.592  -2.171
  476   1HG   LYS  63          HG2       LYS  63  -0.707  -5.315  -0.084
  477   2HG   LYS  63          HG1       LYS  63  -2.434  -5.550   0.185
  478   1HD   LYS  63          HD2       LYS  63  -1.538  -7.249   1.458
  479   2HD   LYS  63          HD1       LYS  63  -1.838  -8.073  -0.069
  480   1HE   LYS  63          HE2       LYS  63   0.482  -7.743  -0.722
  481   2HE   LYS  63          HE1       LYS  63   0.788  -6.914   0.801
  482   1HZ   LYS  63          HZ1       LYS  63  -0.135  -9.726   0.600
  483   2HZ   LYS  63          HZ2       LYS  63   0.345  -8.913   2.004
  484   3HZ   LYS  63          HZ3       LYS  63   1.482  -9.267   0.801
  485    H    ARG  64           HN       ARG  64  -3.242  -2.811  -3.412
  486    HA   ARG  64           HA       ARG  64  -4.926  -2.299  -1.156
  487   1HB   ARG  64          HB2       ARG  64  -5.925  -0.587  -2.799
  488   2HB   ARG  64          HB1       ARG  64  -4.255  -0.371  -2.290
  489   1HG   ARG  64          HG2       ARG  64  -3.679  -1.707  -4.427
  490   2HG   ARG  64          HG1       ARG  64  -5.323  -1.300  -4.924
  491   1HD   ARG  64          HD2       ARG  64  -3.327   0.749  -4.002
  492   2HD   ARG  64          HD1       ARG  64  -3.505   0.273  -5.690
  493    HE   ARG  64           HE       ARG  64  -6.021   0.993  -4.662
  494   1HH1  ARG  64          HH11      ARG  64  -2.970   2.425  -5.544
  495   2HH1  ARG  64          HH12      ARG  64  -3.667   3.947  -5.989
  496   1HH2  ARG  64          HH21      ARG  64  -6.948   2.992  -5.248
  497   2HH2  ARG  64          HH22      ARG  64  -5.928   4.270  -5.820
  498    H    CYS  65           HN       CYS  65  -7.257  -1.444  -2.557
  499    HA   CYS  65           HA       CYS  65  -8.431  -4.019  -3.368
  500   1HB   CYS  65          HB2       CYS  65 -10.293  -2.149  -2.117
  501   2HB   CYS  65          HB1       CYS  65 -10.049  -3.863  -1.807
  502    H    ARG  66           HN       ARG  66  -9.718  -3.955  -5.175
  503    HA   ARG  66           HA       ARG  66  -9.546  -1.660  -6.796
  504   1HB   ARG  66          HB2       ARG  66  -9.785  -3.907  -7.774
  505   2HB   ARG  66          HB1       ARG  66 -11.385  -4.060  -7.063
  506   1HG   ARG  66          HG2       ARG  66 -11.585  -3.550  -9.400
  507   2HG   ARG  66          HG1       ARG  66 -12.154  -2.176  -8.450
  508   1HD   ARG  66          HD2       ARG  66 -10.033  -1.035  -8.798
  509   2HD   ARG  66          HD1       ARG  66  -9.419  -2.421  -9.699
  510    HE   ARG  66           HE       ARG  66 -11.656  -1.743 -11.058
  511   1HH1  ARG  66          HH11      ARG  66  -8.870   0.058  -9.992
  512   2HH1  ARG  66          HH12      ARG  66  -8.932   1.179 -11.311
  513   1HH2  ARG  66          HH21      ARG  66 -11.744  -0.274 -12.795
  514   2HH2  ARG  66          HH22      ARG  66 -10.566   0.990 -12.905
  515    H    HIS  67           HN       HIS  67 -11.048  -0.057  -7.226
  516    HA   HIS  67           HA       HIS  67 -12.601   0.925  -5.210
  517   1HB   HIS  67          HB2       HIS  67 -13.195   1.253  -8.156
  518   2HB   HIS  67          HB1       HIS  67 -13.629   2.355  -6.859
  519    HD1  HIS  67           HD1      HIS  67 -10.714   1.254  -8.924
  520    HD2  HIS  67           HD2      HIS  67 -11.615   4.075  -6.010
  521    HE1  HIS  67           HE1      HIS  67  -8.751   2.825  -8.880
  522    HE2  HIS  67           HE2      HIS  67  -9.357   4.573  -7.169
  523    HA   PRO  68           HA       PRO  68 -16.183  -1.762  -4.922
  524   1HB   PRO  68          HB2       PRO  68 -17.879   0.064  -3.816
  525   2HB   PRO  68          HB1       PRO  68 -16.666  -0.833  -2.897
  526   1HG   PRO  68          HG2       PRO  68 -16.560   1.963  -3.946
  527   2HG   PRO  68          HG1       PRO  68 -16.004   1.326  -2.387
  528   1HD   PRO  68          HD2       PRO  68 -14.290   1.844  -4.396
  529   2HD   PRO  68          HD1       PRO  68 -14.043   0.483  -3.284
  530    H    GLY  69           HN       GLY  69 -16.340   1.511  -6.188
  531   1HA   GLY  69          HA2       GLY  69 -17.188   1.870  -8.436
  532   2HA   GLY  69          HA1       GLY  69 -18.390   0.626  -8.112
  533    H    GLU  70           HN       GLU  70 -19.565   2.661  -9.002
  534    HA   GLU  70           HA       GLU  70 -20.134   4.670  -6.990
  535   1HB   GLU  70          HB2       GLU  70 -20.058   5.264  -9.418
  536   2HB   GLU  70          HB1       GLU  70 -21.453   4.225  -9.676
  537   1HG   GLU  70          HG2       GLU  70 -22.053   6.594  -9.541
  538   2HG   GLU  70          HG1       GLU  70 -22.815   5.634  -8.274
  539    H    LEU  71           HN       LEU  71 -21.774   4.779  -5.670
  540    HA   LEU  71           HA       LEU  71 -23.528   2.446  -5.499
  541   1HB   LEU  71          HB2       LEU  71 -22.193   3.682  -3.552
  542   2HB   LEU  71          HB1       LEU  71 -23.610   4.709  -3.546
  543    HG   LEU  71           HG       LEU  71 -23.530   1.741  -2.999
  544   1HD1  LEU  71          HD11      LEU  71 -24.308   2.414  -0.776
  545   2HD1  LEU  71          HD12      LEU  71 -24.178   4.107  -1.253
  546   3HD1  LEU  71          HD13      LEU  71 -22.732   3.101  -1.164
  547   1HD2  LEU  71          HD21      LEU  71 -25.945   1.988  -2.478
  548   2HD2  LEU  71          HD22      LEU  71 -25.566   2.192  -4.191
  549   3HD2  LEU  71          HD23      LEU  71 -25.891   3.604  -3.185
  550    H    ARG  72           HN       ARG  72 -25.087   2.782  -7.085
  551    HA   ARG  72           HA       ARG  72 -26.287   5.308  -7.551
  552   1HB   ARG  72          HB2       ARG  72 -26.519   3.617  -9.278
  553   2HB   ARG  72          HB1       ARG  72 -27.250   2.490  -8.141
  554   1HG   ARG  72          HG2       ARG  72 -29.231   3.857  -7.992
  555   2HG   ARG  72          HG1       ARG  72 -28.502   5.077  -9.041
  556   1HD   ARG  72          HD2       ARG  72 -29.133   2.229  -9.808
  557   2HD   ARG  72          HD1       ARG  72 -30.065   3.654 -10.272
  558    HE   ARG  72           HE       ARG  72 -27.397   3.992 -11.082
  559   1HH1  ARG  72          HH11      ARG  72 -30.214   2.089 -11.836
  560   2HH1  ARG  72          HH12      ARG  72 -29.780   1.868 -13.498
  561   1HH2  ARG  72          HH21      ARG  72 -26.813   3.706 -13.268
  562   2HH2  ARG  72          HH22      ARG  72 -27.845   2.789 -14.314
  563    H    ASN  73           HN       ASN  73 -27.626   6.425  -6.496
  564    HA   ASN  73           HA       ASN  73 -28.980   7.133  -4.813
  565   1HB   ASN  73          HB2       ASN  73 -29.913   4.241  -4.765
  566   2HB   ASN  73          HB1       ASN  73 -30.740   5.600  -4.012
  567   1HD2  ASN  73          HD21      ASN  73 -31.708   3.751  -6.022
  568   2HD2  ASN  73          HD22      ASN  73 -32.162   4.709  -7.386
  569    H    GLY  74           HN       GLY  74 -26.440   6.787  -4.167
  570   1HA   GLY  74          HA2       GLY  74 -26.469   6.203  -1.427
  571   2HA   GLY  74          HA1       GLY  74 -25.739   4.856  -2.282
  572    H    GLN  75           HN       GLN  75 -24.095   5.903  -0.588
  573    HA   GLN  75           HA       GLN  75 -22.275   7.517  -2.226
  574   1HB   GLN  75          HB2       GLN  75 -22.890   8.080   0.676
  575   2HB   GLN  75          HB1       GLN  75 -21.655   8.886  -0.277
  576   1HG   GLN  75          HG2       GLN  75 -24.565   8.926  -1.010
  577   2HG   GLN  75          HG1       GLN  75 -23.818  10.133   0.034
  578   1HE2  GLN  75          HE21      GLN  75 -24.276  11.780  -1.428
  579   2HE2  GLN  75          HE22      GLN  75 -23.393  11.970  -2.901
  580    H    VAL  76           HN       VAL  76 -20.163   7.030  -2.059
  581    HA   VAL  76           HA       VAL  76 -19.496   4.716  -0.361
  582    HB   VAL  76           HB       VAL  76 -18.059   5.704  -2.829
  583   1HG1  VAL  76          HG11      VAL  76 -16.584   4.627  -1.171
  584   2HG1  VAL  76          HG12      VAL  76 -16.738   3.675  -2.647
  585   3HG1  VAL  76          HG13      VAL  76 -17.623   3.202  -1.196
  586   1HG2  VAL  76          HG21      VAL  76 -20.251   4.725  -3.327
  587   2HG2  VAL  76          HG22      VAL  76 -19.799   3.271  -2.435
  588   3HG2  VAL  76          HG23      VAL  76 -18.935   3.705  -3.910
  589    H    GLU  77           HN       GLU  77 -18.574   5.370   1.502
  590    HA   GLU  77           HA       GLU  77 -17.200   7.833   1.781
  591   1HB   GLU  77          HB2       GLU  77 -18.351   6.776   3.660
  592   2HB   GLU  77          HB1       GLU  77 -17.247   5.409   3.585
  593   1HG   GLU  77          HG2       GLU  77 -16.533   6.781   5.368
  594   2HG   GLU  77          HG1       GLU  77 -15.380   7.005   4.055
  595    H    ILE  78           HN       ILE  78 -15.407   8.087   0.562
  596    HA   ILE  78           HA       ILE  78 -13.283   6.059   0.828
  597    HB   ILE  78           HB       ILE  78 -13.775   7.992  -1.441
  598   1HG1  ILE  78          HG12      ILE  78 -15.231   5.986  -1.409
  599   2HG1  ILE  78          HG11      ILE  78 -14.134   5.997  -2.787
  600   1HG2  ILE  78          HG21      ILE  78 -11.419   7.854  -1.143
  601   2HG2  ILE  78          HG22      ILE  78 -11.833   6.817  -2.508
  602   3HG2  ILE  78          HG23      ILE  78 -11.487   6.104  -0.931
  603   1HD1  ILE  78          HD11      ILE  78 -14.329   3.781  -1.791
  604   2HD1  ILE  78          HD12      ILE  78 -13.738   4.418  -0.256
  605   3HD1  ILE  78          HD13      ILE  78 -12.685   4.405  -1.671
  606    H    LYS  79           HN       LYS  79 -11.522   6.656   1.901
  607    HA   LYS  79           HA       LYS  79 -10.531   9.363   1.827
  608   1HB   LYS  79          HB2       LYS  79 -10.671   9.781   4.200
  609   2HB   LYS  79          HB1       LYS  79 -12.285   9.458   3.585
  610   1HG   LYS  79          HG2       LYS  79 -10.534   7.493   5.053
  611   2HG   LYS  79          HG1       LYS  79 -11.893   8.379   5.742
  612   1HD   LYS  79          HD2       LYS  79 -13.374   7.288   4.058
  613   2HD   LYS  79          HD1       LYS  79 -11.993   6.307   3.549
  614   1HE   LYS  79          HE2       LYS  79 -11.837   5.291   5.706
  615   2HE   LYS  79          HE1       LYS  79 -13.043   6.390   6.372
  616   1HZ   LYS  79          HZ1       LYS  79 -14.660   5.407   4.801
  617   2HZ   LYS  79          HZ2       LYS  79 -14.069   4.296   5.930
  618   3HZ   LYS  79          HZ3       LYS  79 -13.491   4.273   4.340
  619    H    THR  80           HN       THR  80  -9.739   6.512   1.324
  620    HA   THR  80           HA       THR  80  -7.160   6.694   2.666
  621    HB   THR  80           HB       THR  80  -7.172   4.372   3.374
  622    HG1  THR  80           HG1      THR  80  -8.789   3.021   2.893
  623   1HG2  THR  80          HG21      THR  80  -7.926   5.883   5.056
  624   2HG2  THR  80          HG22      THR  80  -9.012   4.495   5.103
  625   3HG2  THR  80          HG23      THR  80  -9.530   5.996   4.330
  626    H    ASP  81           HN       ASP  81  -8.589   6.737  -0.104
  627    HA   ASP  81           HA       ASP  81  -7.999   6.172  -2.275
  628   1HB   ASP  81          HB2       ASP  81  -5.463   5.462  -0.836
  629   2HB   ASP  81          HB1       ASP  81  -5.637   5.374  -2.588
  630    H    LEU  82           HN       LEU  82  -8.800   4.122  -0.066
  631    HA   LEU  82           HA       LEU  82  -9.459   1.945   0.010
  632   1HB   LEU  82          HB2       LEU  82  -8.693   1.918  -2.898
  633   2HB   LEU  82          HB1       LEU  82  -9.762   0.782  -2.095
  634    HG   LEU  82           HG       LEU  82 -10.912   3.265  -1.603
  635   1HD1  LEU  82          HD11      LEU  82  -9.351   4.198  -3.314
  636   2HD1  LEU  82          HD12      LEU  82 -11.059   4.388  -3.707
  637   3HD1  LEU  82          HD13      LEU  82 -10.105   3.134  -4.502
  638   1HD2  LEU  82          HD21      LEU  82 -11.814   0.953  -2.270
  639   2HD2  LEU  82          HD22      LEU  82 -11.682   1.559  -3.921
  640   3HD2  LEU  82          HD23      LEU  82 -12.707   2.395  -2.754
  641    H    SER  83           HN       SER  83  -7.086   2.323   1.041
  642    HA   SER  83           HA       SER  83  -5.172   0.468  -0.137
  643   1HB   SER  83          HB2       SER  83  -3.747   1.168   1.855
  644   2HB   SER  83          HB1       SER  83  -4.144   2.442   0.702
  645    HG   SER  83           HG       SER  83  -5.092   3.462   2.262
  646    H    PHE  84           HN       PHE  84  -4.901  -1.565   0.492
  647    HA   PHE  84           HA       PHE  84  -6.614  -3.140   1.785
  648   1HB   PHE  84          HB2       PHE  84  -4.792  -4.226   0.803
  649   2HB   PHE  84          HB1       PHE  84  -3.616  -3.271   1.700
  650    HD1  PHE  84           HD1      PHE  84  -6.049  -6.031   1.959
  651    HD2  PHE  84           HD2      PHE  84  -2.828  -3.961   3.815
  652    HE1  PHE  84           HE1      PHE  84  -5.854  -7.833   3.624
  653    HE2  PHE  84           HE2      PHE  84  -2.627  -5.758   5.481
  654    HZ   PHE  84           HZ       PHE  84  -4.140  -7.699   5.387
  655    H    GLY  85           HN       GLY  85  -7.232  -3.729   3.809
  656   1HA   GLY  85          HA2       GLY  85  -7.193  -3.849   6.130
  657   2HA   GLY  85          HA1       GLY  85  -5.737  -2.866   6.133
  658    H    SER  86           HN       SER  86  -8.983  -2.242   4.787
  659    HA   SER  86           HA       SER  86  -9.486  -0.253   6.817
  660   1HB   SER  86          HB2       SER  86  -9.828   1.590   5.168
  661   2HB   SER  86          HB1       SER  86  -8.144   1.088   5.332
  662    HG   SER  86           HG       SER  86  -9.258   1.342   3.115
  663    H    GLN  87           HN       GLN  87 -11.542   0.804   6.578
  664    HA   GLN  87           HA       GLN  87 -13.477  -0.881   5.143
  665   1HB   GLN  87          HB2       GLN  87 -15.063  -0.741   6.938
  666   2HB   GLN  87          HB1       GLN  87 -13.544  -1.325   7.598
  667   1HG   GLN  87          HG2       GLN  87 -14.355   0.220   9.148
  668   2HG   GLN  87          HG1       GLN  87 -13.076   1.053   8.274
  669   1HE2  GLN  87          HE21      GLN  87 -13.750   3.095   8.552
  670   2HE2  GLN  87          HE22      GLN  87 -15.220   3.728   7.911
  671    H    ILE  88           HN       ILE  88 -15.084   0.151   4.057
  672    HA   ILE  88           HA       ILE  88 -15.097   3.093   4.210
  673    HB   ILE  88           HB       ILE  88 -15.688   3.090   1.766
  674   1HG1  ILE  88          HG12      ILE  88 -14.632   0.254   1.882
  675   2HG1  ILE  88          HG11      ILE  88 -16.324   0.684   1.647
  676   1HG2  ILE  88          HG21      ILE  88 -12.973   1.981   2.463
  677   2HG2  ILE  88          HG22      ILE  88 -13.460   3.666   2.649
  678   3HG2  ILE  88          HG23      ILE  88 -13.386   2.942   1.043
  679   1HD1  ILE  88          HD11      ILE  88 -14.034   1.277  -0.207
  680   2HD1  ILE  88          HD12      ILE  88 -15.678   1.876  -0.425
  681   3HD1  ILE  88          HD13      ILE  88 -15.358   0.142  -0.468
  682    H    GLU  89           HN       GLU  89 -16.902   3.428   5.376
  683    HA   GLU  89           HA       GLU  89 -19.232   1.906   5.309
  684   1HB   GLU  89          HB2       GLU  89 -18.559   4.670   6.228
  685   2HB   GLU  89          HB1       GLU  89 -20.236   4.155   6.196
  686   1HG   GLU  89          HG2       GLU  89 -19.628   2.226   7.613
  687   2HG   GLU  89          HG1       GLU  89 -17.988   2.866   7.717
  688    H    PHE  90           HN       PHE  90 -21.365   2.556   4.546
  689    HA   PHE  90           HA       PHE  90 -21.236   4.083   2.036
  690   1HB   PHE  90          HB2       PHE  90 -22.940   1.637   2.551
  691   2HB   PHE  90          HB1       PHE  90 -22.829   2.536   1.043
  692    HD1  PHE  90           HD1      PHE  90 -21.131   0.186   3.278
  693    HD2  PHE  90           HD2      PHE  90 -20.919   2.294  -0.421
  694    HE1  PHE  90           HE1      PHE  90 -19.283  -1.267   2.554
  695    HE2  PHE  90           HE2      PHE  90 -19.073   0.842  -1.145
  696    HZ   PHE  90           HZ       PHE  90 -18.253  -0.941   0.342
  697    H    SER  91           HN       SER  91 -23.746   4.435   1.319
  698    HA   SER  91           HA       SER  91 -25.505   4.979   3.492
  699   1HB   SER  91          HB2       SER  91 -25.459   7.551   2.932
  700   2HB   SER  91          HB1       SER  91 -24.348   6.861   4.116
  701    HG   SER  91           HG       SER  91 -23.199   6.618   1.764
  702    H    CYS  92           HN       CYS  92 -27.406   4.591   2.688
  703    HA   CYS  92           HA       CYS  92 -27.934   5.015  -0.135
  704   1HB   CYS  92          HB2       CYS  92 -29.573   3.819   2.101
  705   2HB   CYS  92          HB1       CYS  92 -30.240   4.111   0.498
  706    H    SER  93           HN       SER  93 -28.875   6.743  -0.975
  707    HA   SER  93           HA       SER  93 -29.155   9.134   0.303
  708   1HB   SER  93          HB2       SER  93 -30.499   8.091  -2.176
  709   2HB   SER  93          HB1       SER  93 -30.690   9.759  -1.629
  710    HG   SER  93           HG       SER  93 -28.932   9.993  -2.797
  711    H    GLU  94           HN       GLU  94 -31.273  10.437   0.074
  712    HA   GLU  94           HA       GLU  94 -32.860  10.152   2.231
  713   1HB   GLU  94          HB2       GLU  94 -32.895  12.126   0.847
  714   2HB   GLU  94          HB1       GLU  94 -33.637  11.229  -0.471
  715   1HG   GLU  94          HG2       GLU  94 -35.628  10.878   0.895
  716   2HG   GLU  94          HG1       GLU  94 -34.886  11.796   2.204
  717    H    GLY  95           HN       GLY  95 -34.401   9.393  -0.871
  718   1HA   GLY  95          HA2       GLY  95 -36.458   7.932   0.439
  719   2HA   GLY  95          HA1       GLY  95 -36.209   8.060  -1.288
  720    H    PHE  96           HN       PHE  96 -33.614   6.790   0.672
  721    HA   PHE  96           HA       PHE  96 -34.490   4.031   0.294
  722   1HB   PHE  96          HB2       PHE  96 -31.875   5.019  -0.870
  723   2HB   PHE  96          HB1       PHE  96 -32.522   3.386  -0.963
  724    HD1  PHE  96           HD1      PHE  96 -34.634   3.008  -2.299
  725    HD2  PHE  96           HD2      PHE  96 -32.380   6.609  -2.503
  726    HE1  PHE  96           HE1      PHE  96 -35.717   3.555  -4.435
  727    HE2  PHE  96           HE2      PHE  96 -33.456   7.164  -4.645
  728    HZ   PHE  96           HZ       PHE  96 -35.126   5.637  -5.616
  729    H    PHE  97           HN       PHE  97 -33.482   2.549   1.607
  730    HA   PHE  97           HA       PHE  97 -31.665   3.687   3.619
  731   1HB   PHE  97          HB2       PHE  97 -32.460   2.055   5.194
  732   2HB   PHE  97          HB1       PHE  97 -33.855   2.844   4.476
  733    HD1  PHE  97           HD1      PHE  97 -34.926   1.608   2.442
  734    HD2  PHE  97           HD2      PHE  97 -32.410  -0.239   5.336
  735    HE1  PHE  97           HE1      PHE  97 -35.906  -0.581   1.890
  736    HE2  PHE  97           HE2      PHE  97 -33.388  -2.431   4.790
  737    HZ   PHE  97           HZ       PHE  97 -35.138  -2.604   3.067
  738    H    LEU  98           HN       LEU  98 -30.133   2.127   4.559
  739    HA   LEU  98           HA       LEU  98 -28.707   0.871   2.363
  740   1HB   LEU  98          HB2       LEU  98 -27.657   2.445   4.016
  741   2HB   LEU  98          HB1       LEU  98 -27.802   1.171   5.211
  742    HG   LEU  98           HG       LEU  98 -26.392   0.611   2.634
  743   1HD1  LEU  98          HD11      LEU  98 -25.388   2.663   3.357
  744   2HD1  LEU  98          HD12      LEU  98 -24.286   1.332   3.710
  745   3HD1  LEU  98          HD13      LEU  98 -25.237   2.058   5.006
  746   1HD2  LEU  98          HD21      LEU  98 -25.165  -0.958   4.007
  747   2HD2  LEU  98          HD22      LEU  98 -26.901  -1.208   4.210
  748   3HD2  LEU  98          HD23      LEU  98 -25.980  -0.365   5.455
  749    H    ILE  99           HN       ILE  99 -28.162  -1.194   2.189
  750    HA   ILE  99           HA       ILE  99 -28.529  -3.169   4.247
  751    HB   ILE  99           HB       ILE  99 -29.911  -4.152   1.921
  752   1HG1  ILE  99          HG12      ILE  99 -31.398  -1.968   3.336
  753   2HG1  ILE  99          HG11      ILE  99 -30.486  -1.658   1.867
  754   1HG2  ILE  99          HG21      ILE  99 -30.759  -3.805   4.792
  755   2HG2  ILE  99          HG22      ILE  99 -29.964  -5.217   4.095
  756   3HG2  ILE  99          HG23      ILE  99 -31.597  -4.786   3.588
  757   1HD1  ILE  99          HD11      ILE  99 -31.846  -3.374   0.716
  758   2HD1  ILE  99          HD12      ILE  99 -32.781  -1.997   1.298
  759   3HD1  ILE  99          HD13      ILE  99 -32.819  -3.524   2.178
  760    H    GLY 100           HN       GLY 100 -26.474  -3.753   3.967
  761   1HA   GLY 100          HA2       GLY 100 -25.620  -5.681   2.293
  762   2HA   GLY 100          HA1       GLY 100 -25.342  -4.226   1.352
  763    H    SER 101           HN       SER 101 -24.985  -4.804   4.806
  764    HA   SER 101           HA       SER 101 -23.222  -4.574   6.228
  765   1HB   SER 101          HB2       SER 101 -22.190  -6.315   4.780
  766   2HB   SER 101          HB1       SER 101 -21.517  -5.039   3.766
  767    HG   SER 101           HG       SER 101 -21.005  -5.266   6.543
  768    H    THR 102           HN       THR 102 -23.318  -2.489   6.892
  769    HA   THR 102           HA       THR 102 -22.817  -0.241   5.275
  770    HB   THR 102           HB       THR 102 -22.816   1.068   7.322
  771    HG1  THR 102           HG1      THR 102 -22.728   0.058   9.335
  772   1HG2  THR 102          HG21      THR 102 -24.965   0.355   8.280
  773   2HG2  THR 102          HG22      THR 102 -24.814  -1.194   7.451
  774   3HG2  THR 102          HG23      THR 102 -24.984   0.293   6.518
  775    H    THR 103           HN       THR 103 -20.655  -2.509   6.246
  776    HA   THR 103           HA       THR 103 -18.476  -0.550   6.105
  777    HB   THR 103           HB       THR 103 -17.127  -2.153   7.437
  778    HG1  THR 103           HG1      THR 103 -19.548  -3.533   7.383
  779   1HG2  THR 103          HG21      THR 103 -18.107  -0.195   8.488
  780   2HG2  THR 103          HG22      THR 103 -18.132  -1.560   9.605
  781   3HG2  THR 103          HG23      THR 103 -19.607  -1.079   8.766
  782    H    SER 104           HN       SER 104 -16.458  -1.447   5.160
  783    HA   SER 104           HA       SER 104 -16.838  -3.822   3.513
  784   1HB   SER 104          HB2       SER 104 -17.546  -1.884   2.094
  785   2HB   SER 104          HB1       SER 104 -15.951  -1.171   2.337
  786    HG   SER 104           HG       SER 104 -15.586  -2.267   0.552
  787    H    ARG 105           HN       ARG 105 -15.157  -5.031   4.117
  788    HA   ARG 105           HA       ARG 105 -12.676  -3.736   4.958
  789   1HB   ARG 105          HB2       ARG 105 -13.445  -6.655   5.100
  790   2HB   ARG 105          HB1       ARG 105 -12.063  -5.898   5.879
  791   1HG   ARG 105          HG2       ARG 105 -13.587  -4.556   7.255
  792   2HG   ARG 105          HG1       ARG 105 -14.962  -5.352   6.487
  793   1HD   ARG 105          HD2       ARG 105 -14.129  -7.522   7.314
  794   2HD   ARG 105          HD1       ARG 105 -12.819  -6.681   8.140
  795    HE   ARG 105           HE       ARG 105 -15.407  -5.699   8.873
  796   1HH1  ARG 105          HH11      ARG 105 -13.045  -8.190   9.484
  797   2HH1  ARG 105          HH12      ARG 105 -13.598  -8.495  11.098
  798   1HH2  ARG 105          HH21      ARG 105 -16.141  -6.099  10.995
  799   2HH2  ARG 105          HH22      ARG 105 -15.358  -7.312  11.953
  800    H    CYS 106           HN       CYS 106 -10.614  -4.793   4.364
  801    HA   CYS 106           HA       CYS 106 -10.630  -5.631   1.539
  802   1HB   CYS 106          HB2       CYS 106  -9.640  -3.323   2.201
  803   2HB   CYS 106          HB1       CYS 106  -8.304  -4.258   2.861
  804    H    GLU 107           HN       GLU 107 -10.074  -7.692   1.321
  805    HA   GLU 107           HA       GLU 107  -8.229  -8.880   3.283
  806   1HB   GLU 107          HB2       GLU 107 -10.573  -9.697   3.450
  807   2HB   GLU 107          HB1       GLU 107 -10.472 -10.249   1.785
  808   1HG   GLU 107          HG2       GLU 107 -10.176 -12.079   3.340
  809   2HG   GLU 107          HG1       GLU 107  -8.715 -11.809   2.391
  810    H    VAL 108           HN       VAL 108  -7.136 -10.889   2.367
  811    HA   VAL 108           HA       VAL 108  -6.587 -10.516  -0.495
  812    HB   VAL 108           HB       VAL 108  -4.413 -11.034   1.519
  813   1HG1  VAL 108          HG11      VAL 108  -4.139 -11.935  -0.804
  814   2HG1  VAL 108          HG12      VAL 108  -2.926 -10.735  -0.346
  815   3HG1  VAL 108          HG13      VAL 108  -4.272 -10.275  -1.397
  816   1HG2  VAL 108          HG21      VAL 108  -3.768  -8.786   1.338
  817   2HG2  VAL 108          HG22      VAL 108  -5.518  -8.731   1.563
  818   3HG2  VAL 108          HG23      VAL 108  -4.827  -8.515  -0.046
  819    H    GLN 109           HN       GLN 109  -6.574 -12.213  -1.679
  820    HA   GLN 109           HA       GLN 109  -6.176 -14.857  -0.451
  821   1HB   GLN 109          HB2       GLN 109  -8.002 -14.458  -2.795
  822   2HB   GLN 109          HB1       GLN 109  -8.001 -15.749  -1.601
  823   1HG   GLN 109          HG2       GLN 109  -8.870 -14.227   0.078
  824   2HG   GLN 109          HG1       GLN 109  -8.812 -12.893  -1.076
  825   1HE2  GLN 109          HE21      GLN 109 -11.009 -12.510  -0.910
  826   2HE2  GLN 109          HE22      GLN 109 -12.189 -13.565  -1.602
  827    H    ASP 110           HN       ASP 110  -4.439 -15.830  -1.240
  828    HA   ASP 110           HA       ASP 110  -2.740 -16.455  -2.606
  829   1HB   ASP 110          HB2       ASP 110  -4.995 -16.225  -4.584
  830   2HB   ASP 110          HB1       ASP 110  -3.408 -16.846  -5.027
  831    H    ARG 111           HN       ARG 111  -4.063 -14.638  -5.253
  832    HA   ARG 111           HA       ARG 111  -2.018 -12.584  -4.870
  833   1HB   ARG 111          HB2       ARG 111  -1.492 -12.611  -7.237
  834   2HB   ARG 111          HB1       ARG 111  -1.256 -14.214  -6.557
  835   1HG   ARG 111          HG2       ARG 111  -3.342 -14.969  -7.502
  836   2HG   ARG 111          HG1       ARG 111  -3.692 -13.344  -8.095
  837   1HD   ARG 111          HD2       ARG 111  -2.826 -14.806  -9.868
  838   2HD   ARG 111          HD1       ARG 111  -1.766 -13.431  -9.563
  839    HE   ARG 111           HE       ARG 111  -1.005 -15.749  -8.074
  840   1HH1  ARG 111          HH11      ARG 111  -0.796 -14.207 -11.192
  841   2HH1  ARG 111          HH12      ARG 111   0.673 -15.011 -11.635
  842   1HH2  ARG 111          HH21      ARG 111   0.930 -16.810  -8.648
  843   2HH2  ARG 111          HH22      ARG 111   1.655 -16.487 -10.187
  844    H    GLY 112           HN       GLY 112  -4.836 -12.533  -4.239
  845   1HA   GLY 112          HA2       GLY 112  -5.540 -10.171  -5.800
  846   2HA   GLY 112          HA1       GLY 112  -6.705 -11.491  -5.780
  847    H    VAL 113           HN       VAL 113  -5.994  -8.619  -4.496
  848    HA   VAL 113           HA       VAL 113  -7.171  -9.245  -1.863
  849    HB   VAL 113           HB       VAL 113  -5.060  -8.469  -1.343
  850   1HG1  VAL 113          HG11      VAL 113  -3.959  -6.577  -2.484
  851   2HG1  VAL 113          HG12      VAL 113  -5.345  -6.461  -3.570
  852   3HG1  VAL 113          HG13      VAL 113  -4.332  -7.908  -3.579
  853   1HG2  VAL 113          HG21      VAL 113  -5.266  -6.245  -0.423
  854   2HG2  VAL 113          HG22      VAL 113  -6.761  -7.149  -0.173
  855   3HG2  VAL 113          HG23      VAL 113  -6.669  -5.929  -1.444
  856    H    GLY 114           HN       GLY 114  -8.506  -7.633  -0.887
  857   1HA   GLY 114          HA2       GLY 114  -9.228  -5.260  -1.452
  858   2HA   GLY 114          HA1       GLY 114  -9.810  -5.995  -2.927
  859    H    TRP 115           HN       TRP 115 -11.771  -4.890  -2.152
  860    HA   TRP 115           HA       TRP 115 -13.122  -5.613   0.197
  861   1HB   TRP 115          HB2       TRP 115 -14.569  -4.811  -2.308
  862   2HB   TRP 115          HB1       TRP 115 -14.981  -4.452  -0.636
  863    HD1  TRP 115           HD1      TRP 115 -13.434  -2.939  -3.592
  864    HE1  TRP 115           HE1      TRP 115 -12.241  -0.743  -2.993
  865    HE3  TRP 115           HE3      TRP 115 -13.399  -3.391   1.503
  866    HZ2  TRP 115           HZ2      TRP 115 -11.403   0.624  -0.677
  867    HZ3  TRP 115           HZ3      TRP 115 -12.378  -1.590   2.833
  868    HH2  TRP 115           HH2      TRP 115 -11.401   0.374   1.765
  869    H    SER 116           HN       SER 116 -14.502  -7.194   0.728
  870    HA   SER 116           HA       SER 116 -14.624  -9.523  -0.962
  871   1HB   SER 116          HB2       SER 116 -14.370  -9.715   1.497
  872   2HB   SER 116          HB1       SER 116 -15.961  -8.983   1.706
  873    HG   SER 116           HG       SER 116 -15.271 -11.543   0.912
  874    H    HIS 117           HN       HIS 117 -16.576  -6.794  -0.212
  875    HA   HIS 117           HA       HIS 117 -18.560  -7.579  -2.177
  876   1HB   HIS 117          HB2       HIS 117 -19.435  -8.489  -0.041
  877   2HB   HIS 117          HB1       HIS 117 -19.366  -6.872   0.652
  878    HD1  HIS 117           HD1      HIS 117 -21.369  -5.427   0.339
  879    HD2  HIS 117           HD2      HIS 117 -21.371  -8.701  -2.219
  880    HE1  HIS 117           HE1      HIS 117 -23.614  -5.395  -0.791
  881    HE2  HIS 117           HE2      HIS 117 -23.562  -7.336  -2.396
  882    HA   PRO 118           HA       PRO 118 -18.202  -3.167  -2.661
  883   1HB   PRO 118          HB2       PRO 118 -19.573  -2.910  -4.937
  884   2HB   PRO 118          HB1       PRO 118 -18.022  -3.756  -4.897
  885   1HG   PRO 118          HG2       PRO 118 -20.785  -4.862  -5.038
  886   2HG   PRO 118          HG1       PRO 118 -19.295  -5.462  -5.784
  887   1HD   PRO 118          HD2       PRO 118 -20.470  -6.410  -3.416
  888   2HD   PRO 118          HD1       PRO 118 -18.829  -6.768  -3.989
  889    H    LEU 119           HN       LEU 119 -20.251  -1.710  -3.985
  890    HA   LEU 119           HA       LEU 119 -21.715  -0.594  -2.057
  891   1HB   LEU 119          HB2       LEU 119 -23.023  -1.139  -4.697
  892   2HB   LEU 119          HB1       LEU 119 -23.129   0.283  -3.689
  893    HG   LEU 119           HG       LEU 119 -21.835   1.010  -5.457
  894   1HD1  LEU 119          HD11      LEU 119 -19.578   1.327  -4.618
  895   2HD1  LEU 119          HD12      LEU 119 -19.831   0.048  -3.427
  896   3HD1  LEU 119          HD13      LEU 119 -20.771   1.541  -3.336
  897   1HD2  LEU 119          HD21      LEU 119 -20.285  -1.567  -5.360
  898   2HD2  LEU 119          HD22      LEU 119 -20.044  -0.244  -6.501
  899   3HD2  LEU 119          HD23      LEU 119 -21.548  -1.165  -6.525
  900    HA   PRO 120           HA       PRO 120 -24.646  -3.578  -0.623
  901   1HB   PRO 120          HB2       PRO 120 -26.267  -1.959   0.783
  902   2HB   PRO 120          HB1       PRO 120 -24.612  -2.297   1.299
  903   1HG   PRO 120          HG2       PRO 120 -25.710   0.104  -0.107
  904   2HG   PRO 120          HG1       PRO 120 -24.526   0.019   1.210
  905   1HD   PRO 120          HD2       PRO 120 -23.873   0.351  -1.438
  906   2HD   PRO 120          HD1       PRO 120 -22.785  -0.344  -0.222
  907    H    GLN 121           HN       GLN 121 -27.363  -2.266  -0.094
  908    HA   GLN 121           HA       GLN 121 -28.401  -2.221  -2.841
  909   1HB   GLN 121          HB2       GLN 121 -28.647  -4.493  -1.565
  910   2HB   GLN 121          HB1       GLN 121 -29.916  -3.654  -0.685
  911   1HG   GLN 121          HG2       GLN 121 -31.061  -3.182  -2.801
  912   2HG   GLN 121          HG1       GLN 121 -29.803  -4.067  -3.664
  913   1HE2  GLN 121          HE21      GLN 121 -31.064  -5.008  -0.545
  914   2HE2  GLN 121          HE22      GLN 121 -31.860  -6.444  -1.084
  915    H    CYS 122           HN       CYS 122 -29.391  -0.293  -3.094
  916    HA   CYS 122           HA       CYS 122 -30.615   0.917  -0.720
  917   1HB   CYS 122          HB2       CYS 122 -29.755   2.138  -3.347
  918   2HB   CYS 122          HB1       CYS 122 -30.597   3.021  -2.077
  919    H    GLU 123           HN       GLU 123 -32.687   0.368  -0.514
  920    HA   GLU 123           HA       GLU 123 -34.439   0.497  -2.888
  921   1HB   GLU 123          HB2       GLU 123 -34.577  -1.373  -0.514
  922   2HB   GLU 123          HB1       GLU 123 -35.839  -1.210  -1.728
  923   1HG   GLU 123          HG2       GLU 123 -34.237  -1.943  -3.449
  924   2HG   GLU 123          HG1       GLU 123 -33.027  -2.178  -2.189
  925    H    ILE 124           HN       ILE 124 -36.350   1.494  -2.654
  926    HA   ILE 124           HA       ILE 124 -36.463   3.591  -0.754
  927    HB   ILE 124           HB       ILE 124 -37.397   3.723  -3.055
  928   1HG1  ILE 124          HG12      ILE 124 -39.431   4.245  -0.881
  929   2HG1  ILE 124          HG11      ILE 124 -38.067   5.296  -1.248
  930   1HG2  ILE 124          HG21      ILE 124 -38.406   1.521  -3.180
  931   2HG2  ILE 124          HG22      ILE 124 -39.612   2.769  -3.492
  932   3HG2  ILE 124          HG23      ILE 124 -39.564   1.960  -1.925
  933   1HD1  ILE 124          HD11      ILE 124 -38.959   5.809  -3.399
  934   2HD1  ILE 124          HD12      ILE 124 -40.232   6.045  -2.201
  935   3HD1  ILE 124          HD13      ILE 124 -40.231   4.602  -3.214
  936    H    LEU 125           HN       LEU 125 -37.645   3.843   1.071
  937    HA   LEU 125           HA       LEU 125 -38.467   1.530   2.484
  938   1HB   LEU 125          HB2       LEU 125 -38.878   4.467   3.034
  939   2HB   LEU 125          HB1       LEU 125 -39.353   3.198   4.147
  940    HG   LEU 125           HG       LEU 125 -36.514   3.577   3.200
  941   1HD1  LEU 125          HD11      LEU 125 -36.118   4.621   5.403
  942   2HD1  LEU 125          HD12      LEU 125 -37.859   4.632   5.683
  943   3HD1  LEU 125          HD13      LEU 125 -37.172   5.584   4.367
  944   1HD2  LEU 125          HD21      LEU 125 -35.932   2.127   4.997
  945   2HD2  LEU 125          HD22      LEU 125 -37.222   1.343   4.084
  946   3HD2  LEU 125          HD23      LEU 125 -37.583   2.136   5.619
  947    H    GLU 126           HN       GLU 126 -40.560   4.359   2.092
  948    HA   GLU 126           HA       GLU 126 -42.650   2.725   0.882
  949   1HB   GLU 126          HB2       GLU 126 -42.972   4.134   3.538
  950   2HB   GLU 126          HB1       GLU 126 -44.313   3.521   2.582
  951   1HG   GLU 126          HG2       GLU 126 -42.069   1.792   3.583
  952   2HG   GLU 126          HG1       GLU 126 -43.567   2.060   4.472
  953    H    HIS 127           HN       HIS 127 -44.719   4.250   0.700
  954    HA   HIS 127           HA       HIS 127 -45.654   6.035  -0.353
  955   1HB   HIS 127          HB2       HIS 127 -43.399   7.663   0.824
  956   2HB   HIS 127          HB1       HIS 127 -44.997   8.231   0.351
  957    HD1  HIS 127           HD1      HIS 127 -46.926   7.859   2.000
  958    HD2  HIS 127           HD2      HIS 127 -43.289   6.326   3.299
  959    HE1  HIS 127           HE1      HIS 127 -47.259   7.304   4.431
  960    HE2  HIS 127           HE2      HIS 127 -45.066   6.314   5.178
  961    H    HIS 128           HN       HIS 128 -44.849   8.177  -1.683
  962    HA   HIS 128           HA       HIS 128 -43.941   8.954  -3.610
  963   1HB   HIS 128          HB2       HIS 128 -41.670   7.070  -2.945
  964   2HB   HIS 128          HB1       HIS 128 -41.616   8.349  -4.153
  965    HD1  HIS 128           HD1      HIS 128 -40.397   7.767  -0.956
  966    HD2  HIS 128           HD2      HIS 128 -42.472  10.949  -2.643
  967    HE1  HIS 128           HE1      HIS 128 -39.914   9.745   0.521
  968    HE2  HIS 128           HE2      HIS 128 -41.130  11.672  -0.552
  969    H    HIS 129           HN       HIS 129 -44.823   8.489  -5.494
  970    HA   HIS 129           HA       HIS 129 -44.489   5.786  -6.598
  971   1HB   HIS 129          HB2       HIS 129 -46.806   5.882  -7.468
  972   2HB   HIS 129          HB1       HIS 129 -46.748   5.891  -5.708
  973    HD1  HIS 129           HD1      HIS 129 -47.520   8.036  -4.505
  974    HD2  HIS 129           HD2      HIS 129 -47.781   8.231  -8.647
  975    HE1  HIS 129           HE1      HIS 129 -48.912  10.072  -4.995
  976    HE2  HIS 129           HE2      HIS 129 -49.135  10.116  -7.504
  977    H    HIS 130           HN       HIS 130 -45.533   5.972  -9.015
  978    HA   HIS 130           HA       HIS 130 -44.103   8.231 -10.250
  979   1HB   HIS 130          HB2       HIS 130 -44.694   5.517 -11.452
  980   2HB   HIS 130          HB1       HIS 130 -43.744   6.801 -12.194
  981    HD1  HIS 130           HD1      HIS 130 -43.474   3.913  -9.963
  982    HD2  HIS 130           HD2      HIS 130 -41.228   7.298 -10.833
  983    HE1  HIS 130           HE1      HIS 130 -41.183   3.458  -9.031
  984    HE2  HIS 130           HE2      HIS 130 -39.874   5.564  -9.474
  985    H    HIS 131           HN       HIS 131 -45.052   9.334 -11.980
  986    HA   HIS 131           HA       HIS 131 -47.756   8.638 -12.785
  987   1HB   HIS 131          HB2       HIS 131 -48.660  10.860 -12.231
  988   2HB   HIS 131          HB1       HIS 131 -48.134   9.997 -10.788
  989    HD1  HIS 131           HD1      HIS 131 -46.077  10.927  -9.530
  990    HD2  HIS 131           HD2      HIS 131 -47.217  13.179 -12.830
  991    HE1  HIS 131           HE1      HIS 131 -44.818  13.095  -9.331
  992    HE2  HIS 131           HE2      HIS 131 -45.457  14.407 -11.385
  993    H    HIS 132           HN       HIS 132 -48.575  10.427 -14.367
  994    HA   HIS 132           HA       HIS 132 -46.483  10.748 -16.353
  995   1HB   HIS 132          HB2       HIS 132 -48.550   9.850 -17.164
  996   2HB   HIS 132          HB1       HIS 132 -49.474  11.158 -16.433
  997    HD1  HIS 132           HD1      HIS 132 -49.950  13.130 -17.874
  998    HD2  HIS 132           HD2      HIS 132 -46.907  10.756 -19.414
  999    HE1  HIS 132           HE1      HIS 132 -49.444  14.078 -20.147
 1000    HE2  HIS 132           HE2      HIS 132 -47.648  12.583 -21.089
  Start of MODEL   35
    1   1H    MET   0           HT1      MET   0  34.725  -2.664  -3.465
    2   2H    MET   0           HT2      MET   0  34.202  -3.998  -2.565
    3   3H    MET   0           HT3      MET   0  35.857  -3.686  -2.731
    4    HA   MET   0           HA       MET   0  35.076  -3.043  -0.550
    5   1HB   MET   0          HB2       MET   0  36.920  -1.799  -1.652
    6   2HB   MET   0          HB1       MET   0  35.742  -0.661  -2.291
    7   1HG   MET   0          HG2       MET   0  36.783   0.304  -0.372
    8   2HG   MET   0          HG1       MET   0  35.108  -0.078   0.024
    9   1HE   MET   0          HE1       MET   0  38.253  -2.422  -0.239
   10   2HE   MET   0          HE2       MET   0  38.747  -2.530   1.450
   11   3HE   MET   0          HE3       MET   0  38.881  -0.997   0.589
   12    H    ASN   1           HN       ASN   1  33.574  -1.052  -3.098
   13    HA   ASN   1           HA       ASN   1  31.376  -0.478  -1.227
   14   1HB   ASN   1          HB2       ASN   1  32.739   1.140  -3.289
   15   2HB   ASN   1          HB1       ASN   1  30.989   1.321  -3.208
   16   1HD2  ASN   1          HD21      ASN   1  30.048   2.011  -1.255
   17   2HD2  ASN   1          HD22      ASN   1  30.952   2.927  -0.104
   18    H    CYS   2           HN       CYS   2  29.208  -0.321  -2.137
   19    HA   CYS   2           HA       CYS   2  28.766  -2.469  -4.041
   20   1HB   CYS   2          HB2       CYS   2  26.948  -0.914  -2.217
   21   2HB   CYS   2          HB1       CYS   2  26.324  -2.029  -3.427
   22    H    GLY   3           HN       GLY   3  29.179   0.827  -4.270
   23   1HA   GLY   3          HA2       GLY   3  29.068   2.073  -6.249
   24   2HA   GLY   3          HA1       GLY   3  28.028   0.838  -6.943
   25    HA   PRO   4           HA       PRO   4  25.855   4.919  -5.254
   26   1HB   PRO   4          HB2       PRO   4  25.259   4.900  -8.191
   27   2HB   PRO   4          HB1       PRO   4  25.425   6.273  -7.089
   28   1HG   PRO   4          HG2       PRO   4  27.420   5.622  -8.717
   29   2HG   PRO   4          HG1       PRO   4  27.748   6.124  -7.049
   30   1HD   PRO   4          HD2       PRO   4  27.861   3.410  -8.267
   31   2HD   PRO   4          HD1       PRO   4  28.823   4.096  -6.943
   32    HA   PRO   5           HA       PRO   5  22.411   2.121  -4.737
   33   1HB   PRO   5          HB2       PRO   5  21.041   4.679  -4.061
   34   2HB   PRO   5          HB1       PRO   5  21.096   3.157  -3.164
   35   1HG   PRO   5          HG2       PRO   5  22.552   5.237  -2.378
   36   2HG   PRO   5          HG1       PRO   5  23.209   3.591  -2.303
   37   1HD   PRO   5          HD2       PRO   5  23.772   5.771  -4.266
   38   2HD   PRO   5          HD1       PRO   5  24.874   4.563  -3.577
   39    HA   PRO   6           HA       PRO   6  20.074   2.810  -8.462
   40   1HB   PRO   6          HB2       PRO   6  18.402   0.588  -7.877
   41   2HB   PRO   6          HB1       PRO   6  19.860   0.586  -8.869
   42   1HG   PRO   6          HG2       PRO   6  19.555  -0.722  -6.431
   43   2HG   PRO   6          HG1       PRO   6  21.098  -0.350  -7.215
   44   1HD   PRO   6          HD2       PRO   6  19.700   1.085  -5.005
   45   2HD   PRO   6          HD1       PRO   6  21.437   0.817  -5.260
   46    H    THR   7           HN       THR   7  17.681   2.482  -9.048
   47    HA   THR   7           HA       THR   7  16.101   4.167  -7.245
   48    HB   THR   7           HB       THR   7  16.362   4.935  -9.582
   49    HG1  THR   7           HG1      THR   7  14.152   4.792  -8.193
   50   1HG2  THR   7          HG21      THR   7  16.497   2.722 -10.651
   51   2HG2  THR   7          HG22      THR   7  15.280   3.750 -11.408
   52   3HG2  THR   7          HG23      THR   7  14.788   2.463 -10.306
   53    H    LEU   8           HN       LEU   8  14.374   3.340  -6.180
   54    HA   LEU   8           HA       LEU   8  13.509   0.639  -6.944
   55   1HB   LEU   8          HB2       LEU   8  13.377   1.913  -4.217
   56   2HB   LEU   8          HB1       LEU   8  12.962   0.257  -4.617
   57    HG   LEU   8           HG       LEU   8  15.448   0.130  -5.430
   58   1HD1  LEU   8          HD11      LEU   8  16.961   1.538  -4.157
   59   2HD1  LEU   8          HD12      LEU   8  15.590   2.391  -3.446
   60   3HD1  LEU   8          HD13      LEU   8  15.907   2.518  -5.177
   61   1HD2  LEU   8          HD21      LEU   8  14.460  -1.143  -3.568
   62   2HD2  LEU   8          HD22      LEU   8  14.767   0.222  -2.494
   63   3HD2  LEU   8          HD23      LEU   8  16.117  -0.641  -3.232
   64    H    SER   9           HN       SER   9  11.280   0.300  -5.586
   65    HA   SER   9           HA       SER   9   9.483   2.508  -6.331
   66   1HB   SER   9          HB2       SER   9   9.019  -0.436  -6.862
   67   2HB   SER   9          HB1       SER   9   7.837   0.843  -7.141
   68    HG   SER   9           HG       SER   9  10.402   0.867  -8.332
   69    H    PHE  10           HN       PHE  10   9.888  -0.458  -4.433
   70    HA   PHE  10           HA       PHE  10   7.589  -0.102  -2.841
   71   1HB   PHE  10          HB2       PHE  10  10.028  -1.485  -1.785
   72   2HB   PHE  10          HB1       PHE  10   8.335  -1.886  -1.547
   73    HD1  PHE  10           HD1      PHE  10   7.107  -3.159  -3.185
   74    HD2  PHE  10           HD2      PHE  10  11.204  -2.180  -3.786
   75    HE1  PHE  10           HE1      PHE  10   7.240  -4.834  -4.980
   76    HE2  PHE  10           HE2      PHE  10  11.344  -3.851  -5.585
   77    HZ   PHE  10           HZ       PHE  10   9.361  -5.182  -6.184
   78    H    ALA  11           HN       ALA  11  10.608   1.489  -2.876
   79    HA   ALA  11           HA       ALA  11   9.787   3.071  -0.564
   80   1HB   ALA  11          HB1       ALA  11  12.466   1.709  -0.701
   81   2HB   ALA  11          HB2       ALA  11  11.137   1.280   0.377
   82   3HB   ALA  11          HB3       ALA  11  11.934   2.845   0.540
   83    H    ALA  12           HN       ALA  12  10.793   5.066  -0.373
   84    HA   ALA  12           HA       ALA  12  12.587   5.890  -2.555
   85   1HB   ALA  12          HB1       ALA  12  10.300   6.663  -3.001
   86   2HB   ALA  12          HB2       ALA  12  11.401   8.010  -2.708
   87   3HB   ALA  12          HB3       ALA  12  10.283   7.494  -1.445
   88    HA   PRO  13           HA       PRO  13  15.486   7.535   0.323
   89   1HB   PRO  13          HB2       PRO  13  15.087  10.124  -1.127
   90   2HB   PRO  13          HB1       PRO  13  16.589   9.315  -0.668
   91   1HG   PRO  13          HG2       PRO  13  15.701   9.199  -3.175
   92   2HG   PRO  13          HG1       PRO  13  16.453   7.787  -2.411
   93   1HD   PRO  13          HD2       PRO  13  13.592   8.307  -3.030
   94   2HD   PRO  13          HD1       PRO  13  14.473   6.768  -2.958
   95    H    MET  14           HN       MET  14  15.477   8.565   2.280
   96    HA   MET  14           HA       MET  14  13.532  10.636   2.844
   97   1HB   MET  14          HB2       MET  14  12.211   8.634   3.231
   98   2HB   MET  14          HB1       MET  14  13.465   7.977   4.273
   99   1HG   MET  14          HG2       MET  14  11.598   8.867   5.556
  100   2HG   MET  14          HG1       MET  14  13.092   9.745   5.885
  101   1HE   MET  14          HE1       MET  14  11.719  11.677   7.026
  102   2HE   MET  14          HE2       MET  14  10.194  10.854   6.695
  103   3HE   MET  14          HE3       MET  14  10.398  12.549   6.249
  104    H    ASP  15           HN       ASP  15  16.260   8.710   3.747
  105    HA   ASP  15           HA       ASP  15  17.215  10.889   5.434
  106   1HB   ASP  15          HB2       ASP  15  16.031   9.192   6.893
  107   2HB   ASP  15          HB1       ASP  15  17.278   8.038   6.431
  108    H    ILE  16           HN       ILE  16  18.160  10.506   2.999
  109    HA   ILE  16           HA       ILE  16  20.885   9.719   3.458
  110    HB   ILE  16           HB       ILE  16  20.120   7.583   2.826
  111   1HG1  ILE  16          HG12      ILE  16  21.199   8.862   0.316
  112   2HG1  ILE  16          HG11      ILE  16  22.181   8.355   1.686
  113   1HG2  ILE  16          HG21      ILE  16  18.775   7.138   0.830
  114   2HG2  ILE  16          HG22      ILE  16  18.668   8.873   0.535
  115   3HG2  ILE  16          HG23      ILE  16  17.935   8.178   1.982
  116   1HD1  ILE  16          HD11      ILE  16  20.514   6.549  -0.048
  117   2HD1  ILE  16          HD12      ILE  16  21.506   6.043   1.320
  118   3HD1  ILE  16          HD13      ILE  16  22.266   6.732  -0.115
  119    H    THR  17           HN       THR  17  21.309  11.908   3.013
  120    HA   THR  17           HA       THR  17  20.454  13.350   0.811
  121    HB   THR  17           HB       THR  17  22.595  14.625   0.972
  122    HG1  THR  17           HG1      THR  17  24.238  13.692   1.910
  123   1HG2  THR  17          HG21      THR  17  21.249  14.075   3.621
  124   2HG2  THR  17          HG22      THR  17  20.682  15.208   2.395
  125   3HG2  THR  17          HG23      THR  17  22.211  15.500   3.224
  126    H    LEU  18           HN       LEU  18  20.573  12.814  -1.273
  127    HA   LEU  18           HA       LEU  18  22.366  10.806  -2.177
  128   1HB   LEU  18          HB2       LEU  18  20.171  12.417  -3.341
  129   2HB   LEU  18          HB1       LEU  18  21.347  11.773  -4.465
  130    HG   LEU  18           HG       LEU  18  19.502  10.244  -4.346
  131   1HD1  LEU  18          HD11      LEU  18  21.687   9.209  -4.530
  132   2HD1  LEU  18          HD12      LEU  18  20.617   8.203  -3.553
  133   3HD1  LEU  18          HD13      LEU  18  21.850   9.195  -2.774
  134   1HD2  LEU  18          HD21      LEU  18  18.766   9.224  -2.274
  135   2HD2  LEU  18          HD22      LEU  18  18.627  10.979  -2.172
  136   3HD2  LEU  18          HD23      LEU  18  19.961  10.152  -1.370
  137    H    THR  19           HN       THR  19  23.611  13.190  -1.126
  138    HA   THR  19           HA       THR  19  24.777  14.532  -3.428
  139    HB   THR  19           HB       THR  19  25.849  16.004  -1.850
  140    HG1  THR  19           HG1      THR  19  25.965  15.560   0.297
  141   1HG2  THR  19          HG21      THR  19  23.545  16.541  -2.266
  142   2HG2  THR  19          HG22      THR  19  23.867  16.807  -0.553
  143   3HG2  THR  19          HG23      THR  19  23.003  15.358  -1.074
  144    H    GLU  20           HN       GLU  20  25.420  11.911  -1.343
  145    HA   GLU  20           HA       GLU  20  28.281  11.939  -1.594
  146   1HB   GLU  20          HB2       GLU  20  26.351   9.820  -0.642
  147   2HB   GLU  20          HB1       GLU  20  28.100   9.634  -0.616
  148   1HG   GLU  20          HG2       GLU  20  26.537  11.744   0.857
  149   2HG   GLU  20          HG1       GLU  20  27.215  10.278   1.563
  150    H    THR  21           HN       THR  21  28.919   9.332  -2.195
  151    HA   THR  21           HA       THR  21  27.852   8.866  -4.887
  152    HB   THR  21           HB       THR  21  30.280   8.365  -5.585
  153    HG1  THR  21           HG1      THR  21  31.525  10.168  -4.254
  154   1HG2  THR  21          HG21      THR  21  30.638  10.692  -6.267
  155   2HG2  THR  21          HG22      THR  21  29.410  11.221  -5.117
  156   3HG2  THR  21          HG23      THR  21  28.955  10.216  -6.493
  157    H    ARG  22           HN       ARG  22  29.866   7.656  -2.237
  158    HA   ARG  22           HA       ARG  22  29.158   4.919  -3.062
  159   1HB   ARG  22          HB2       ARG  22  31.717   5.872  -1.786
  160   2HB   ARG  22          HB1       ARG  22  31.297   4.186  -2.047
  161   1HG   ARG  22          HG2       ARG  22  31.214   4.605  -4.471
  162   2HG   ARG  22          HG1       ARG  22  31.713   6.273  -4.178
  163   1HD   ARG  22          HD2       ARG  22  33.294   3.810  -3.453
  164   2HD   ARG  22          HD1       ARG  22  33.602   4.859  -4.836
  165    HE   ARG  22           HE       ARG  22  33.631   6.450  -2.553
  166   1HH1  ARG  22          HH11      ARG  22  35.460   3.816  -3.918
  167   2HH1  ARG  22          HH12      ARG  22  36.951   4.303  -3.186
  168   1HH2  ARG  22          HH21      ARG  22  35.590   7.096  -1.583
  169   2HH2  ARG  22          HH22      ARG  22  37.025   6.166  -1.858
  170    H    PHE  23           HN       PHE  23  29.104   3.349  -1.282
  171    HA   PHE  23           HA       PHE  23  28.660   4.418   1.398
  172   1HB   PHE  23          HB2       PHE  23  26.565   2.773  -0.050
  173   2HB   PHE  23          HB1       PHE  23  26.473   3.353   1.611
  174    HD1  PHE  23           HD1      PHE  23  25.445   5.385   2.072
  175    HD2  PHE  23           HD2      PHE  23  26.765   4.561  -1.886
  176    HE1  PHE  23           HE1      PHE  23  24.372   7.456   1.284
  177    HE2  PHE  23           HE2      PHE  23  25.711   6.625  -2.678
  178    HZ   PHE  23           HZ       PHE  23  24.503   8.080  -1.095
  179    H    LYS  24           HN       LYS  24  30.464   3.252   2.041
  180    HA   LYS  24           HA       LYS  24  31.348   0.754   1.496
  181   1HB   LYS  24          HB2       LYS  24  31.875   0.606   4.024
  182   2HB   LYS  24          HB1       LYS  24  32.626   1.863   3.055
  183   1HG   LYS  24          HG2       LYS  24  30.935   3.462   3.843
  184   2HG   LYS  24          HG1       LYS  24  30.217   2.191   4.835
  185   1HD   LYS  24          HD2       LYS  24  32.351   1.971   6.051
  186   2HD   LYS  24          HD1       LYS  24  33.011   3.299   5.095
  187   1HE   LYS  24          HE2       LYS  24  31.224   4.767   5.961
  188   2HE   LYS  24          HE1       LYS  24  30.657   3.438   6.972
  189   1HZ   LYS  24          HZ1       LYS  24  32.051   4.917   8.241
  190   2HZ   LYS  24          HZ2       LYS  24  33.318   4.745   7.133
  191   3HZ   LYS  24          HZ3       LYS  24  32.829   3.424   8.069
  192    H    THR  25           HN       THR  25  31.173  -1.295   2.678
  193    HA   THR  25           HA       THR  25  28.546  -2.271   2.711
  194    HB   THR  25           HB       THR  25  29.621  -4.166   4.107
  195    HG1  THR  25           HG1      THR  25  32.016  -4.088   3.623
  196   1HG2  THR  25          HG21      THR  25  30.534  -5.212   2.138
  197   2HG2  THR  25          HG22      THR  25  30.780  -3.640   1.373
  198   3HG2  THR  25          HG23      THR  25  29.145  -4.237   1.652
  199    H    GLY  26           HN       GLY  26  27.563  -3.311   4.763
  200   1HA   GLY  26          HA2       GLY  26  26.854  -3.130   6.952
  201   2HA   GLY  26          HA1       GLY  26  28.255  -2.118   7.274
  202    H    THR  27           HN       THR  27  27.345  -0.363   4.914
  203    HA   THR  27           HA       THR  27  26.086   1.651   6.394
  204    HB   THR  27           HB       THR  27  27.349   1.766   4.120
  205    HG1  THR  27           HG1      THR  27  25.040   3.386   4.184
  206   1HG2  THR  27          HG21      THR  27  24.545   1.663   3.031
  207   2HG2  THR  27          HG22      THR  27  25.605   0.251   3.023
  208   3HG2  THR  27          HG23      THR  27  26.073   1.706   2.141
  209    H    THR  28           HN       THR  28  23.858   2.443   6.244
  210    HA   THR  28           HA       THR  28  21.941   0.604   5.065
  211    HB   THR  28           HB       THR  28  21.986   1.212   8.020
  212    HG1  THR  28           HG1      THR  28  22.670  -0.939   6.450
  213   1HG2  THR  28          HG21      THR  28  19.693   1.397   7.188
  214   2HG2  THR  28          HG22      THR  28  19.891  -0.053   8.173
  215   3HG2  THR  28          HG23      THR  28  19.840  -0.182   6.415
  216    H    LEU  29           HN       LEU  29  20.409   1.667   4.071
  217    HA   LEU  29           HA       LEU  29  20.112   4.519   4.520
  218   1HB   LEU  29          HB2       LEU  29  18.414   3.037   2.571
  219   2HB   LEU  29          HB1       LEU  29  19.106   4.642   2.451
  220    HG   LEU  29           HG       LEU  29  20.474   2.001   1.977
  221   1HD1  LEU  29          HD11      LEU  29  20.919   2.953  -0.220
  222   2HD1  LEU  29          HD12      LEU  29  20.086   4.436   0.243
  223   3HD1  LEU  29          HD13      LEU  29  19.188   2.924   0.117
  224   1HD2  LEU  29          HD21      LEU  29  21.983   3.372   3.279
  225   2HD2  LEU  29          HD22      LEU  29  21.730   4.728   2.180
  226   3HD2  LEU  29          HD23      LEU  29  22.533   3.264   1.607
  227    H    LYS  30           HN       LYS  30  17.615   5.174   4.048
  228    HA   LYS  30           HA       LYS  30  16.068   3.887   6.189
  229   1HB   LYS  30          HB2       LYS  30  16.621   6.343   6.401
  230   2HB   LYS  30          HB1       LYS  30  15.617   6.622   4.984
  231   1HG   LYS  30          HG2       LYS  30  14.331   7.119   6.927
  232   2HG   LYS  30          HG1       LYS  30  13.702   5.634   6.211
  233   1HD   LYS  30          HD2       LYS  30  14.944   4.313   7.852
  234   2HD   LYS  30          HD1       LYS  30  15.578   5.796   8.568
  235   1HE   LYS  30          HE2       LYS  30  13.277   6.501   9.086
  236   2HE   LYS  30          HE1       LYS  30  12.680   4.978   8.428
  237   1HZ   LYS  30          HZ1       LYS  30  12.850   4.894  10.833
  238   2HZ   LYS  30          HZ2       LYS  30  14.500   5.258  10.758
  239   3HZ   LYS  30          HZ3       LYS  30  13.928   3.797  10.126
  240    H    TYR  31           HN       TYR  31  15.065   5.914   3.466
  241    HA   TYR  31           HA       TYR  31  13.602   5.602   1.770
  242   1HB   TYR  31          HB2       TYR  31  14.704   2.885   2.216
  243   2HB   TYR  31          HB1       TYR  31  13.247   3.002   1.228
  244    HD1  TYR  31           HD1      TYR  31  13.370   3.745  -1.015
  245    HD2  TYR  31           HD2      TYR  31  16.747   4.172   1.534
  246    HE1  TYR  31           HE1      TYR  31  14.749   4.362  -2.955
  247    HE2  TYR  31           HE2      TYR  31  18.135   4.790  -0.398
  248    HH   TYR  31           HH       TYR  31  16.831   5.596  -3.420
  249    H    THR  32           HN       THR  32  11.459   5.695   1.613
  250    HA   THR  32           HA       THR  32   9.850   4.319   3.665
  251    HB   THR  32           HB       THR  32   9.544   6.517   4.262
  252    HG1  THR  32           HG1      THR  32   7.560   6.979   2.499
  253   1HG2  THR  32          HG21      THR  32   9.594   7.283   1.341
  254   2HG2  THR  32          HG22      THR  32  10.913   7.494   2.493
  255   3HG2  THR  32          HG23      THR  32   9.412   8.400   2.693
  256    H    CYS  33           HN       CYS  33   7.909   3.382   3.069
  257    HA   CYS  33           HA       CYS  33   7.719   2.659   0.268
  258   1HB   CYS  33          HB2       CYS  33   5.974   1.719   2.545
  259   2HB   CYS  33          HB1       CYS  33   6.205   0.943   0.982
  260    H    LEU  34           HN       LEU  34   6.450   3.447  -1.119
  261    HA   LEU  34           HA       LEU  34   4.912   5.721  -0.890
  262   1HB   LEU  34          HB2       LEU  34   4.536   3.516  -2.914
  263   2HB   LEU  34          HB1       LEU  34   4.026   5.183  -3.094
  264    HG   LEU  34           HG       LEU  34   6.897   4.270  -2.862
  265   1HD1  LEU  34          HD11      LEU  34   5.888   3.531  -4.951
  266   2HD1  LEU  34          HD12      LEU  34   7.050   4.826  -5.237
  267   3HD1  LEU  34          HD13      LEU  34   5.321   5.171  -5.270
  268   1HD2  LEU  34          HD21      LEU  34   6.525   6.526  -2.000
  269   2HD2  LEU  34          HD22      LEU  34   5.729   6.974  -3.509
  270   3HD2  LEU  34          HD23      LEU  34   7.443   6.556  -3.506
  271    HA   PRO  35           HA       PRO  35   0.918   4.605   0.598
  272   1HB   PRO  35          HB2       PRO  35  -0.467   6.068  -1.517
  273   2HB   PRO  35          HB1       PRO  35  -0.326   6.457   0.199
  274   1HG   PRO  35          HG2       PRO  35   0.911   7.904  -1.721
  275   2HG   PRO  35          HG1       PRO  35   1.598   7.681  -0.100
  276   1HD   PRO  35          HD2       PRO  35   2.282   6.274  -2.657
  277   2HD   PRO  35          HD1       PRO  35   3.362   6.896  -1.390
  278    H    GLY  36           HN       GLY  36   0.494   2.477   0.285
  279   1HA   GLY  36          HA2       GLY  36  -1.553   1.488  -1.110
  280   2HA   GLY  36          HA1       GLY  36  -0.324   1.561  -2.361
  281    H    TYR  37           HN       TYR  37   1.545   1.016   0.119
  282    HA   TYR  37           HA       TYR  37   1.535  -1.870  -0.238
  283   1HB   TYR  37          HB2       TYR  37   3.424  -0.108   1.354
  284   2HB   TYR  37          HB1       TYR  37   3.660  -1.816   0.999
  285    HD1  TYR  37           HD1      TYR  37   3.237   1.475  -0.705
  286    HD2  TYR  37           HD2      TYR  37   4.906  -2.437  -0.872
  287    HE1  TYR  37           HE1      TYR  37   4.449   2.083  -2.750
  288    HE2  TYR  37           HE2      TYR  37   6.107  -1.840  -2.927
  289    HH   TYR  37           HH       TYR  37   5.936  -0.212  -4.756
  290    H    VAL  38           HN       VAL  38   1.282  -3.338   1.518
  291    HA   VAL  38           HA       VAL  38   0.276  -2.237   4.043
  292    HB   VAL  38           HB       VAL  38  -1.569  -3.786   4.073
  293   1HG1  VAL  38          HG11      VAL  38  -1.581  -2.534   1.334
  294   2HG1  VAL  38          HG12      VAL  38  -1.819  -1.615   2.822
  295   3HG1  VAL  38          HG13      VAL  38  -2.965  -2.878   2.373
  296   1HG2  VAL  38          HG21      VAL  38  -0.556  -4.778   1.424
  297   2HG2  VAL  38          HG22      VAL  38  -2.064  -5.270   2.197
  298   3HG2  VAL  38          HG23      VAL  38  -0.519  -5.654   2.955
  299    H    ARG  39           HN       ARG  39  -0.452  -4.954   4.825
  300    HA   ARG  39           HA       ARG  39   1.491  -5.809   6.378
  301   1HB   ARG  39          HB2       ARG  39  -0.242  -7.614   4.717
  302   2HB   ARG  39          HB1       ARG  39   0.677  -8.132   6.123
  303   1HG   ARG  39          HG2       ARG  39  -1.527  -6.080   6.119
  304   2HG   ARG  39          HG1       ARG  39  -1.662  -7.748   6.678
  305   1HD   ARG  39          HD2       ARG  39   0.018  -7.309   8.399
  306   2HD   ARG  39          HD1       ARG  39   0.160  -5.644   7.838
  307    HE   ARG  39           HE       ARG  39  -2.522  -6.328   8.541
  308   1HH1  ARG  39          HH11      ARG  39   0.566  -5.355   9.830
  309   2HH1  ARG  39          HH12      ARG  39  -0.111  -4.632  11.251
  310   1HH2  ARG  39          HH21      ARG  39  -3.421  -5.380  10.410
  311   2HH2  ARG  39          HH22      ARG  39  -2.377  -4.646  11.581
  312    H    SER  40           HN       SER  40   3.586  -5.710   5.909
  313    HA   SER  40           HA       SER  40   4.944  -7.806   4.757
  314   1HB   SER  40          HB2       SER  40   4.046  -7.143   2.592
  315   2HB   SER  40          HB1       SER  40   4.639  -5.499   2.823
  316    HG   SER  40           HG       SER  40   6.726  -6.988   3.166
  317    H    HIS  41           HN       HIS  41   4.794  -4.430   5.524
  318    HA   HIS  41           HA       HIS  41   7.528  -3.808   5.479
  319   1HB   HIS  41          HB2       HIS  41   6.831  -2.074   7.262
  320   2HB   HIS  41          HB1       HIS  41   6.129  -1.956   5.655
  321    HD1  HIS  41           HD1      HIS  41   3.611  -2.714   5.421
  322    HD2  HIS  41           HD2      HIS  41   5.047  -2.523   9.316
  323    HE1  HIS  41           HE1      HIS  41   1.572  -2.773   6.892
  324    HE2  HIS  41           HE2      HIS  41   2.471  -2.748   9.246
  325    H    SER  42           HN       SER  42   9.152  -4.395   6.698
  326    HA   SER  42           HA       SER  42   8.890  -4.946   9.496
  327   1HB   SER  42          HB2       SER  42   8.140  -7.086   8.286
  328   2HB   SER  42          HB1       SER  42   9.823  -7.252   7.787
  329    HG   SER  42           HG       SER  42   8.981  -8.247   9.896
  330    H    THR  43           HN       THR  43  10.608  -4.346   6.656
  331    HA   THR  43           HA       THR  43  12.936  -3.474   8.054
  332    HB   THR  43           HB       THR  43  13.358  -5.829   6.213
  333    HG1  THR  43           HG1      THR  43  13.248  -7.082   7.923
  334   1HG2  THR  43          HG21      THR  43  15.660  -5.749   7.127
  335   2HG2  THR  43          HG22      THR  43  15.233  -4.275   7.996
  336   3HG2  THR  43          HG23      THR  43  15.225  -4.293   6.233
  337    H    GLN  44           HN       GLN  44  12.623  -1.556   6.944
  338    HA   GLN  44           HA       GLN  44  12.860  -1.659   4.014
  339   1HB   GLN  44          HB2       GLN  44  12.011   0.698   5.707
  340   2HB   GLN  44          HB1       GLN  44  11.869   0.532   3.962
  341   1HG   GLN  44          HG2       GLN  44  10.152  -1.084   4.162
  342   2HG   GLN  44          HG1       GLN  44  10.433  -1.263   5.894
  343   1HE2  GLN  44          HE21      GLN  44  10.435   1.832   4.296
  344   2HE2  GLN  44          HE22      GLN  44   8.966   2.416   4.992
  345    H    THR  45           HN       THR  45  15.176  -2.041   4.227
  346    HA   THR  45           HA       THR  45  16.637   0.456   4.482
  347    HB   THR  45           HB       THR  45  18.319  -0.423   5.999
  348    HG1  THR  45           HG1      THR  45  16.691  -2.754   5.942
  349   1HG2  THR  45          HG21      THR  45  17.045  -0.456   8.055
  350   2HG2  THR  45          HG22      THR  45  15.569  -0.852   7.171
  351   3HG2  THR  45          HG23      THR  45  16.336   0.725   6.950
  352    H    LEU  46           HN       LEU  46  18.603   0.486   3.415
  353    HA   LEU  46           HA       LEU  46  19.163  -1.854   1.711
  354   1HB   LEU  46          HB2       LEU  46  19.194   1.067   1.127
  355   2HB   LEU  46          HB1       LEU  46  20.380   0.057   0.323
  356    HG   LEU  46           HG       LEU  46  17.382  -0.302   0.175
  357   1HD1  LEU  46          HD11      LEU  46  18.155   1.673  -1.034
  358   2HD1  LEU  46          HD12      LEU  46  17.629   0.408  -2.146
  359   3HD1  LEU  46          HD13      LEU  46  19.350   0.691  -1.884
  360   1HD2  LEU  46          HD21      LEU  46  19.616  -1.762  -1.225
  361   2HD2  LEU  46          HD22      LEU  46  17.894  -1.960  -1.551
  362   3HD2  LEU  46          HD23      LEU  46  18.554  -2.424   0.017
  363    H    THR  47           HN       THR  47  20.946  -2.886   2.288
  364    HA   THR  47           HA       THR  47  23.125  -1.338   3.544
  365    HB   THR  47           HB       THR  47  22.574  -4.282   3.952
  366    HG1  THR  47           HG1      THR  47  22.001  -3.269   6.163
  367   1HG2  THR  47          HG21      THR  47  24.897  -3.532   4.322
  368   2HG2  THR  47          HG22      THR  47  24.122  -4.088   5.804
  369   3HG2  THR  47          HG23      THR  47  24.311  -2.361   5.503
  370    H    CYS  48           HN       CYS  48  25.235  -1.710   2.850
  371    HA   CYS  48           HA       CYS  48  25.449  -2.930   0.249
  372   1HB   CYS  48          HB2       CYS  48  26.704  -0.874   0.679
  373   2HB   CYS  48          HB1       CYS  48  27.548  -1.643   2.018
  374    H    ASN  49           HN       ASN  49  25.699  -5.008   0.024
  375    HA   ASN  49           HA       ASN  49  26.835  -6.591   2.197
  376   1HB   ASN  49          HB2       ASN  49  26.076  -8.516   0.641
  377   2HB   ASN  49          HB1       ASN  49  24.826  -7.560   1.437
  378   1HD2  ASN  49          HD21      ASN  49  23.762  -5.929   0.221
  379   2HD2  ASN  49          HD22      ASN  49  23.628  -6.070  -1.496
  380    H    SER  50           HN       SER  50  28.167  -8.587   1.232
  381    HA   SER  50           HA       SER  50  30.402  -7.361  -0.172
  382   1HB   SER  50          HB2       SER  50  30.925  -8.732   1.768
  383   2HB   SER  50          HB1       SER  50  30.080 -10.113   1.062
  384    HG   SER  50           HG       SER  50  32.545  -9.786   0.843
  385    H    ASP  51           HN       ASP  51  28.695  -7.202  -1.943
  386    HA   ASP  51           HA       ASP  51  29.220  -9.237  -3.989
  387   1HB   ASP  51          HB2       ASP  51  27.030  -9.735  -2.666
  388   2HB   ASP  51          HB1       ASP  51  26.403  -8.335  -3.534
  389    H    GLY  52           HN       GLY  52  29.242  -6.148  -3.034
  390   1HA   GLY  52          HA2       GLY  52  29.277  -4.127  -4.114
  391   2HA   GLY  52          HA1       GLY  52  29.592  -5.051  -5.575
  392    H    GLU  53           HN       GLU  53  26.797  -5.902  -3.980
  393    HA   GLU  53           HA       GLU  53  25.109  -4.105  -5.598
  394   1HB   GLU  53          HB2       GLU  53  23.707  -5.842  -6.254
  395   2HB   GLU  53          HB1       GLU  53  25.295  -6.591  -6.334
  396   1HG   GLU  53          HG2       GLU  53  24.932  -7.666  -4.196
  397   2HG   GLU  53          HG1       GLU  53  23.378  -6.853  -4.030
  398    H    TRP  54           HN       TRP  54  22.830  -3.979  -4.735
  399    HA   TRP  54           HA       TRP  54  22.935  -3.764  -1.835
  400   1HB   TRP  54          HB2       TRP  54  20.987  -2.645  -3.863
  401   2HB   TRP  54          HB1       TRP  54  20.932  -2.344  -2.133
  402    HD1  TRP  54           HD1      TRP  54  22.509  -1.091  -5.278
  403    HE1  TRP  54           HE1      TRP  54  24.167   0.804  -4.737
  404    HE3  TRP  54           HE3      TRP  54  22.710  -1.625  -0.209
  405    HZ2  TRP  54           HZ2      TRP  54  25.401   1.922  -2.454
  406    HZ3  TRP  54           HZ3      TRP  54  24.154  -0.109   1.088
  407    HH2  TRP  54           HH2      TRP  54  25.472   1.626  -0.015
  408    H    VAL  55           HN       VAL  55  22.157  -5.314  -0.688
  409    HA   VAL  55           HA       VAL  55  20.283  -7.288  -1.810
  410    HB   VAL  55           HB       VAL  55  22.461  -7.337   0.223
  411   1HG1  VAL  55          HG11      VAL  55  21.584  -9.291   1.340
  412   2HG1  VAL  55          HG12      VAL  55  20.105  -9.202   0.383
  413   3HG1  VAL  55          HG13      VAL  55  20.487  -7.925   1.538
  414   1HG2  VAL  55          HG21      VAL  55  23.028  -9.411  -0.797
  415   2HG2  VAL  55          HG22      VAL  55  22.648  -8.276  -2.095
  416   3HG2  VAL  55          HG23      VAL  55  21.468  -9.498  -1.620
  417    H    TYR  56           HN       TYR  56  18.384  -7.797  -0.697
  418    HA   TYR  56           HA       TYR  56  17.796  -6.903   1.863
  419   1HB   TYR  56          HB2       TYR  56  16.213  -5.032   1.381
  420   2HB   TYR  56          HB1       TYR  56  17.883  -4.655   0.962
  421    HD1  TYR  56           HD1      TYR  56  14.506  -5.005  -0.265
  422    HD2  TYR  56           HD2      TYR  56  18.581  -4.728  -1.451
  423    HE1  TYR  56           HE1      TYR  56  13.795  -4.432  -2.548
  424    HE2  TYR  56           HE2      TYR  56  17.885  -4.151  -3.737
  425    HH   TYR  56           HH       TYR  56  15.912  -4.447  -5.191
  426    H    ASN  57           HN       ASN  57  15.289  -6.828   2.272
  427    HA   ASN  57           HA       ASN  57  14.138  -9.084   0.795
  428   1HB   ASN  57          HB2       ASN  57  13.436  -7.908   3.491
  429   2HB   ASN  57          HB1       ASN  57  12.583  -9.253   2.739
  430   1HD2  ASN  57          HD21      ASN  57  14.126  -9.085   5.243
  431   2HD2  ASN  57          HD22      ASN  57  15.323 -10.324   5.128
  432    H    THR  58           HN       THR  58  11.538  -8.920   1.068
  433    HA   THR  58           HA       THR  58  10.844  -6.581  -0.526
  434    HB   THR  58           HB       THR  58   9.067  -8.932   0.139
  435    HG1  THR  58           HG1      THR  58  11.209  -8.718  -1.584
  436   1HG2  THR  58          HG21      THR  58   8.994  -6.923  -2.116
  437   2HG2  THR  58          HG22      THR  58   7.935  -6.916  -0.705
  438   3HG2  THR  58          HG23      THR  58   7.853  -8.244  -1.864
  439    H    PHE  59           HN       PHE  59  10.949  -5.075   1.236
  440    HA   PHE  59           HA       PHE  59   9.095  -5.302   3.435
  441   1HB   PHE  59          HB2       PHE  59   9.877  -2.872   3.819
  442   2HB   PHE  59          HB1       PHE  59  11.067  -4.159   3.997
  443    HD1  PHE  59           HD1      PHE  59  12.875  -4.412   2.434
  444    HD2  PHE  59           HD2      PHE  59   9.967  -1.347   1.929
  445    HE1  PHE  59           HE1      PHE  59  14.333  -3.307   0.791
  446    HE2  PHE  59           HE2      PHE  59  11.420  -0.238   0.284
  447    HZ   PHE  59           HZ       PHE  59  13.605  -1.219  -0.288
  448    H    CYS  60           HN       CYS  60   7.073  -4.491   3.538
  449    HA   CYS  60           HA       CYS  60   5.116  -3.477   2.950
  450   1HB   CYS  60          HB2       CYS  60   6.650  -1.627   1.135
  451   2HB   CYS  60          HB1       CYS  60   5.157  -1.313   2.010
  452    H    ILE  61           HN       ILE  61   3.631  -4.323   1.582
  453    HA   ILE  61           HA       ILE  61   4.475  -4.718  -1.206
  454    HB   ILE  61           HB       ILE  61   2.954  -6.686  -1.328
  455   1HG1  ILE  61          HG12      ILE  61   2.964  -6.349   1.674
  456   2HG1  ILE  61          HG11      ILE  61   1.565  -6.360   0.604
  457   1HG2  ILE  61          HG21      ILE  61   4.588  -8.210  -0.434
  458   2HG2  ILE  61          HG22      ILE  61   5.257  -6.937   0.589
  459   3HG2  ILE  61          HG23      ILE  61   5.396  -6.821  -1.166
  460   1HD1  ILE  61          HD11      ILE  61   1.746  -8.451   1.808
  461   2HD1  ILE  61          HD12      ILE  61   3.374  -8.695   1.178
  462   3HD1  ILE  61          HD13      ILE  61   1.994  -8.711   0.082
  463    H    TYR  62           HN       TYR  62   3.403  -3.692  -2.583
  464    HA   TYR  62           HA       TYR  62   1.087  -2.117  -2.048
  465   1HB   TYR  62          HB2       TYR  62   3.052  -2.024  -3.867
  466   2HB   TYR  62          HB1       TYR  62   1.783  -2.770  -4.838
  467    HD1  TYR  62           HD1      TYR  62   3.232   0.215  -4.061
  468    HD2  TYR  62           HD2      TYR  62  -0.630  -1.523  -4.357
  469    HE1  TYR  62           HE1      TYR  62   2.279   2.451  -4.359
  470    HE2  TYR  62           HE2      TYR  62  -1.621   0.706  -4.668
  471    HH   TYR  62           HH       TYR  62   0.392   3.630  -4.500
  472    H    LYS  63           HN       LYS  63  -0.886  -2.888  -1.793
  473    HA   LYS  63           HA       LYS  63  -2.073  -4.460  -3.901
  474   1HB   LYS  63          HB2       LYS  63  -2.850  -6.249  -2.489
  475   2HB   LYS  63          HB1       LYS  63  -1.104  -6.140  -2.319
  476   1HG   LYS  63          HG2       LYS  63  -1.372  -4.951  -0.211
  477   2HG   LYS  63          HG1       LYS  63  -3.125  -5.029  -0.383
  478   1HD   LYS  63          HD2       LYS  63  -2.830  -6.846   0.954
  479   2HD   LYS  63          HD1       LYS  63  -2.598  -7.625  -0.608
  480   1HE   LYS  63          HE2       LYS  63  -0.091  -6.711  -0.015
  481   2HE   LYS  63          HE1       LYS  63  -0.705  -7.194   1.567
  482   1HZ   LYS  63          HZ1       LYS  63   0.341  -9.073   0.582
  483   2HZ   LYS  63          HZ2       LYS  63  -0.498  -8.883  -0.871
  484   3HZ   LYS  63          HZ3       LYS  63  -1.325  -9.356   0.526
  485    H    ARG  64           HN       ARG  64  -3.941  -3.489  -4.330
  486    HA   ARG  64           HA       ARG  64  -5.452  -2.319  -2.100
  487   1HB   ARG  64          HB2       ARG  64  -6.220  -0.583  -3.807
  488   2HB   ARG  64          HB1       ARG  64  -4.583  -0.434  -3.184
  489   1HG   ARG  64          HG2       ARG  64  -4.150  -1.963  -5.369
  490   2HG   ARG  64          HG1       ARG  64  -5.528  -0.995  -5.902
  491   1HD   ARG  64          HD2       ARG  64  -2.959   0.081  -4.746
  492   2HD   ARG  64          HD1       ARG  64  -3.391   0.071  -6.457
  493    HE   ARG  64           HE       ARG  64  -5.365   1.395  -4.899
  494   1HH1  ARG  64          HH11      ARG  64  -2.196   1.796  -6.293
  495   2HH1  ARG  64          HH12      ARG  64  -2.320   3.520  -6.400
  496   1HH2  ARG  64          HH21      ARG  64  -5.535   3.664  -5.034
  497   2HH2  ARG  64          HH22      ARG  64  -4.218   4.583  -5.683
  498    H    CYS  65           HN       CYS  65  -7.737  -1.572  -3.366
  499    HA   CYS  65           HA       CYS  65  -8.703  -4.026  -4.665
  500   1HB   CYS  65          HB2       CYS  65 -10.343  -2.434  -2.694
  501   2HB   CYS  65          HB1       CYS  65 -10.699  -4.022  -3.365
  502    H    ARG  66           HN       ARG  66  -9.781  -3.666  -6.513
  503    HA   ARG  66           HA       ARG  66  -9.881  -1.219  -7.742
  504   1HB   ARG  66          HB2       ARG  66 -10.261  -3.230  -9.016
  505   2HB   ARG  66          HB1       ARG  66 -11.735  -3.581  -8.122
  506   1HG   ARG  66          HG2       ARG  66 -12.248  -2.723 -10.327
  507   2HG   ARG  66          HG1       ARG  66 -12.777  -1.583  -9.087
  508   1HD   ARG  66          HD2       ARG  66 -11.735  -0.321 -10.818
  509   2HD   ARG  66          HD1       ARG  66 -10.635  -0.344  -9.438
  510    HE   ARG  66           HE       ARG  66 -10.121  -2.418 -11.357
  511   1HH1  ARG  66          HH11      ARG  66  -9.497   0.900 -10.488
  512   2HH1  ARG  66          HH12      ARG  66  -8.002   0.980 -11.358
  513   1HH2  ARG  66          HH21      ARG  66  -8.156  -2.319 -12.505
  514   2HH2  ARG  66          HH22      ARG  66  -7.240  -0.849 -12.505
  515    H    HIS  67           HN       HIS  67 -11.339   0.427  -7.935
  516    HA   HIS  67           HA       HIS  67 -12.691   1.305  -5.729
  517   1HB   HIS  67          HB2       HIS  67 -12.153   2.658  -7.753
  518   2HB   HIS  67          HB1       HIS  67 -13.496   1.884  -8.586
  519    HD1  HIS  67           HD1      HIS  67 -15.817   2.786  -8.150
  520    HD2  HIS  67           HD2      HIS  67 -12.934   4.433  -5.655
  521    HE1  HIS  67           HE1      HIS  67 -16.957   4.695  -6.976
  522    HE2  HIS  67           HE2      HIS  67 -15.162   5.743  -5.553
  523    HA   PRO  68           HA       PRO  68 -16.223  -1.404  -5.087
  524   1HB   PRO  68          HB2       PRO  68 -17.807   0.664  -4.077
  525   2HB   PRO  68          HB1       PRO  68 -16.799  -0.438  -3.140
  526   1HG   PRO  68          HG2       PRO  68 -16.224   2.336  -4.058
  527   2HG   PRO  68          HG1       PRO  68 -15.757   1.527  -2.550
  528   1HD   PRO  68          HD2       PRO  68 -13.976   1.907  -4.505
  529   2HD   PRO  68          HD1       PRO  68 -13.989   0.386  -3.583
  530    H    GLY  69           HN       GLY  69 -16.514   1.815  -6.498
  531   1HA   GLY  69          HA2       GLY  69 -17.524   2.074  -8.688
  532   2HA   GLY  69          HA1       GLY  69 -18.649   0.791  -8.257
  533    H    GLU  70           HN       GLU  70 -19.936   2.756  -9.150
  534    HA   GLU  70           HA       GLU  70 -20.494   4.808  -7.184
  535   1HB   GLU  70          HB2       GLU  70 -20.537   5.373  -9.592
  536   2HB   GLU  70          HB1       GLU  70 -21.838   4.216  -9.830
  537   1HG   GLU  70          HG2       GLU  70 -23.265   5.536  -8.330
  538   2HG   GLU  70          HG1       GLU  70 -21.964   6.714  -8.155
  539    H    LEU  71           HN       LEU  71 -22.044   4.880  -5.776
  540    HA   LEU  71           HA       LEU  71 -23.792   2.548  -5.513
  541   1HB   LEU  71          HB2       LEU  71 -22.360   3.808  -3.637
  542   2HB   LEU  71          HB1       LEU  71 -23.794   4.809  -3.558
  543    HG   LEU  71           HG       LEU  71 -23.628   1.845  -3.019
  544   1HD1  LEU  71          HD11      LEU  71 -24.200   2.433  -0.763
  545   2HD1  LEU  71          HD12      LEU  71 -24.349   4.134  -1.205
  546   3HD1  LEU  71          HD13      LEU  71 -22.772   3.345  -1.257
  547   1HD2  LEU  71          HD21      LEU  71 -25.726   2.226  -4.098
  548   2HD2  LEU  71          HD22      LEU  71 -26.026   3.659  -3.115
  549   3HD2  LEU  71          HD23      LEU  71 -26.020   2.062  -2.364
  550    H    ARG  72           HN       ARG  72 -25.433   2.887  -7.021
  551    HA   ARG  72           HA       ARG  72 -26.625   5.432  -7.432
  552   1HB   ARG  72          HB2       ARG  72 -26.894   3.679  -9.134
  553   2HB   ARG  72          HB1       ARG  72 -27.721   2.648  -7.972
  554   1HG   ARG  72          HG2       ARG  72 -29.577   4.213  -7.875
  555   2HG   ARG  72          HG1       ARG  72 -28.746   5.283  -9.009
  556   1HD   ARG  72          HD2       ARG  72 -29.612   2.451  -9.584
  557   2HD   ARG  72          HD1       ARG  72 -30.456   3.906 -10.114
  558    HE   ARG  72           HE       ARG  72 -27.779   3.997 -10.983
  559   1HH1  ARG  72          HH11      ARG  72 -30.766   2.312 -11.604
  560   2HH1  ARG  72          HH12      ARG  72 -30.393   1.998 -13.266
  561   1HH2  ARG  72          HH21      ARG  72 -27.279   3.586 -13.170
  562   2HH2  ARG  72          HH22      ARG  72 -28.411   2.720 -14.155
  563    H    ASN  73           HN       ASN  73 -27.933   6.548  -6.323
  564    HA   ASN  73           HA       ASN  73 -29.209   7.256  -4.577
  565   1HB   ASN  73          HB2       ASN  73 -30.145   4.368  -4.622
  566   2HB   ASN  73          HB1       ASN  73 -30.880   5.630  -3.637
  567   1HD2  ASN  73          HD21      ASN  73 -30.531   4.302  -6.796
  568   2HD2  ASN  73          HD22      ASN  73 -31.720   5.285  -7.574
  569    H    GLY  74           HN       GLY  74 -26.634   6.875  -4.040
  570   1HA   GLY  74          HA2       GLY  74 -26.583   6.283  -1.297
  571   2HA   GLY  74          HA1       GLY  74 -25.879   4.945  -2.186
  572    H    GLN  75           HN       GLN  75 -24.187   5.985  -0.532
  573    HA   GLN  75           HA       GLN  75 -22.422   7.629  -2.203
  574   1HB   GLN  75          HB2       GLN  75 -23.439   9.143  -0.588
  575   2HB   GLN  75          HB1       GLN  75 -22.966   8.085   0.735
  576   1HG   GLN  75          HG2       GLN  75 -20.629   8.519   0.294
  577   2HG   GLN  75          HG1       GLN  75 -21.052   9.499  -1.110
  578   1HE2  GLN  75          HE21      GLN  75 -22.879   9.561   1.860
  579   2HE2  GLN  75          HE22      GLN  75 -22.419  11.156   2.340
  580    H    VAL  76           HN       VAL  76 -20.325   7.072  -2.197
  581    HA   VAL  76           HA       VAL  76 -19.579   4.745  -0.552
  582    HB   VAL  76           HB       VAL  76 -18.235   5.732  -3.072
  583   1HG1  VAL  76          HG11      VAL  76 -16.777   4.526  -1.470
  584   2HG1  VAL  76          HG12      VAL  76 -16.988   3.666  -2.994
  585   3HG1  VAL  76          HG13      VAL  76 -17.871   3.146  -1.558
  586   1HG2  VAL  76          HG21      VAL  76 -20.076   3.372  -2.688
  587   2HG2  VAL  76          HG22      VAL  76 -19.255   3.825  -4.182
  588   3HG2  VAL  76          HG23      VAL  76 -20.498   4.877  -3.505
  589    H    GLU  77           HN       GLU  77 -18.557   5.406   1.258
  590    HA   GLU  77           HA       GLU  77 -17.048   7.836   1.350
  591   1HB   GLU  77          HB2       GLU  77 -18.270   6.991   3.312
  592   2HB   GLU  77          HB1       GLU  77 -17.211   5.586   3.361
  593   1HG   GLU  77          HG2       GLU  77 -16.388   7.050   4.989
  594   2HG   GLU  77          HG1       GLU  77 -15.292   7.211   3.621
  595    H    ILE  78           HN       ILE  78 -15.303   7.802   0.045
  596    HA   ILE  78           HA       ILE  78 -13.348   5.633   0.419
  597    HB   ILE  78           HB       ILE  78 -13.709   7.533  -1.901
  598   1HG1  ILE  78          HG12      ILE  78 -15.307   5.678  -1.861
  599   2HG1  ILE  78          HG11      ILE  78 -14.156   5.473  -3.177
  600   1HG2  ILE  78          HG21      ILE  78 -11.856   6.276  -2.962
  601   2HG2  ILE  78          HG22      ILE  78 -11.566   5.471  -1.420
  602   3HG2  ILE  78          HG23      ILE  78 -11.352   7.216  -1.558
  603   1HD1  ILE  78          HD11      ILE  78 -14.165   4.024  -0.543
  604   2HD1  ILE  78          HD12      ILE  78 -12.897   3.881  -1.760
  605   3HD1  ILE  78          HD13      ILE  78 -14.539   3.356  -2.132
  606    H    LYS  79           HN       LYS  79 -11.401   6.090   1.265
  607    HA   LYS  79           HA       LYS  79 -10.249   8.713   1.188
  608   1HB   LYS  79          HB2       LYS  79 -10.276   9.154   3.562
  609   2HB   LYS  79          HB1       LYS  79 -11.929   8.960   2.997
  610   1HG   LYS  79          HG2       LYS  79 -10.291   6.896   4.458
  611   2HG   LYS  79          HG1       LYS  79 -11.602   7.859   5.138
  612   1HD   LYS  79          HD2       LYS  79 -13.139   6.815   3.481
  613   2HD   LYS  79          HD1       LYS  79 -11.808   5.769   2.968
  614   1HE   LYS  79          HE2       LYS  79 -12.482   4.351   4.544
  615   2HE   LYS  79          HE1       LYS  79 -11.838   5.498   5.716
  616   1HZ   LYS  79          HZ1       LYS  79 -14.633   5.417   4.718
  617   2HZ   LYS  79          HZ2       LYS  79 -14.019   6.553   5.810
  618   3HZ   LYS  79          HZ3       LYS  79 -14.107   4.922   6.249
  619    H    THR  80           HN       THR  80  -9.697   5.802   0.692
  620    HA   THR  80           HA       THR  80  -7.065   5.798   1.934
  621    HB   THR  80           HB       THR  80  -7.251   3.453   2.632
  622    HG1  THR  80           HG1      THR  80  -9.739   3.717   1.424
  623   1HG2  THR  80          HG21      THR  80  -9.218   5.418   3.789
  624   2HG2  THR  80          HG22      THR  80  -7.615   4.984   4.389
  625   3HG2  THR  80          HG23      THR  80  -8.943   3.830   4.511
  626    H    ASP  81           HN       ASP  81  -8.695   5.812  -0.771
  627    HA   ASP  81           HA       ASP  81  -8.254   5.143  -2.946
  628   1HB   ASP  81          HB2       ASP  81  -5.645   4.357  -1.669
  629   2HB   ASP  81          HB1       ASP  81  -5.931   4.371  -3.406
  630    H    LEU  82           HN       LEU  82  -8.936   3.205  -0.585
  631    HA   LEU  82           HA       LEU  82  -9.620   1.059  -0.336
  632   1HB   LEU  82          HB2       LEU  82  -9.199   1.038  -3.319
  633   2HB   LEU  82          HB1       LEU  82  -9.842  -0.333  -2.440
  634    HG   LEU  82           HG       LEU  82 -11.736   0.716  -3.310
  635   1HD1  LEU  82          HD11      LEU  82 -12.032   0.257  -0.951
  636   2HD1  LEU  82          HD12      LEU  82 -12.908   1.722  -1.400
  637   3HD1  LEU  82          HD13      LEU  82 -11.374   1.841  -0.537
  638   1HD2  LEU  82          HD21      LEU  82 -10.517   3.348  -2.495
  639   2HD2  LEU  82          HD22      LEU  82 -12.125   3.147  -3.190
  640   3HD2  LEU  82          HD23      LEU  82 -10.697   2.727  -4.137
  641    H    SER  83           HN       SER  83  -7.185   1.451   0.535
  642    HA   SER  83           HA       SER  83  -5.381  -0.490  -0.679
  643   1HB   SER  83          HB2       SER  83  -3.736   0.322   0.970
  644   2HB   SER  83          HB1       SER  83  -4.434   1.658   0.057
  645    HG   SER  83           HG       SER  83  -4.597   1.084   2.735
  646    H    PHE  84           HN       PHE  84  -5.131  -2.510   0.063
  647    HA   PHE  84           HA       PHE  84  -6.778  -3.965   1.531
  648   1HB   PHE  84          HB2       PHE  84  -4.827  -4.979   0.541
  649   2HB   PHE  84          HB1       PHE  84  -3.764  -4.140   1.667
  650    HD1  PHE  84           HD1      PHE  84  -3.358  -4.991   3.845
  651    HD2  PHE  84           HD2      PHE  84  -6.293  -6.797   1.351
  652    HE1  PHE  84           HE1      PHE  84  -3.493  -6.898   5.394
  653    HE2  PHE  84           HE2      PHE  84  -6.433  -8.708   2.894
  654    HZ   PHE  84           HZ       PHE  84  -5.033  -8.760   4.919
  655    H    GLY  85           HN       GLY  85  -7.418  -4.318   3.602
  656   1HA   GLY  85          HA2       GLY  85  -7.425  -4.175   5.915
  657   2HA   GLY  85          HA1       GLY  85  -5.891  -3.320   5.840
  658    H    SER  86           HN       SER  86  -8.893  -2.454   4.171
  659    HA   SER  86           HA       SER  86  -9.175  -0.157   5.966
  660   1HB   SER  86          HB2       SER  86  -9.569   1.341   4.039
  661   2HB   SER  86          HB1       SER  86  -7.934   0.676   4.048
  662    HG   SER  86           HG       SER  86  -9.989   0.293   2.255
  663    H    GLN  87           HN       GLN  87 -11.184   0.776   6.084
  664    HA   GLN  87           HA       GLN  87 -13.387  -0.895   5.069
  665   1HB   GLN  87          HB2       GLN  87 -13.422  -1.216   7.386
  666   2HB   GLN  87          HB1       GLN  87 -12.978   0.449   7.722
  667   1HG   GLN  87          HG2       GLN  87 -15.625  -0.290   6.518
  668   2HG   GLN  87          HG1       GLN  87 -15.351  -0.244   8.259
  669   1HE2  GLN  87          HE21      GLN  87 -13.426   1.979   7.930
  670   2HE2  GLN  87          HE22      GLN  87 -14.389   3.388   7.679
  671    H    ILE  88           HN       ILE  88 -14.939   0.083   3.898
  672    HA   ILE  88           HA       ILE  88 -14.964   3.030   3.834
  673    HB   ILE  88           HB       ILE  88 -15.684   2.846   1.439
  674   1HG1  ILE  88          HG12      ILE  88 -14.558   0.048   1.617
  675   2HG1  ILE  88          HG11      ILE  88 -16.285   0.394   1.621
  676   1HG2  ILE  88          HG21      ILE  88 -12.942   1.921   2.263
  677   2HG2  ILE  88          HG22      ILE  88 -13.474   3.569   1.929
  678   3HG2  ILE  88          HG23      ILE  88 -13.357   2.396   0.617
  679   1HD1  ILE  88          HD11      ILE  88 -16.100   1.401  -0.581
  680   2HD1  ILE  88          HD12      ILE  88 -15.501  -0.256  -0.586
  681   3HD1  ILE  88          HD13      ILE  88 -14.364   1.091  -0.586
  682    H    GLU  89           HN       GLU  89 -16.723   3.539   4.974
  683    HA   GLU  89           HA       GLU  89 -19.078   1.975   5.075
  684   1HB   GLU  89          HB2       GLU  89 -18.139   4.534   6.167
  685   2HB   GLU  89          HB1       GLU  89 -19.870   4.467   5.882
  686   1HG   GLU  89          HG2       GLU  89 -20.047   2.484   7.270
  687   2HG   GLU  89          HG1       GLU  89 -18.301   2.487   7.518
  688    H    PHE  90           HN       PHE  90 -21.173   2.507   4.291
  689    HA   PHE  90           HA       PHE  90 -21.127   4.117   1.824
  690   1HB   PHE  90          HB2       PHE  90 -22.964   1.793   2.434
  691   2HB   PHE  90          HB1       PHE  90 -22.798   2.643   0.899
  692    HD1  PHE  90           HD1      PHE  90 -21.379   0.133   3.120
  693    HD2  PHE  90           HD2      PHE  90 -20.813   2.300  -0.506
  694    HE1  PHE  90           HE1      PHE  90 -19.662  -1.483   2.419
  695    HE2  PHE  90           HE2      PHE  90 -19.104   0.686  -1.210
  696    HZ   PHE  90           HZ       PHE  90 -18.523  -1.208   0.253
  697    H    SER  91           HN       SER  91 -23.644   4.625   1.253
  698    HA   SER  91           HA       SER  91 -25.200   5.294   3.566
  699   1HB   SER  91          HB2       SER  91 -23.791   7.527   2.100
  700   2HB   SER  91          HB1       SER  91 -25.132   7.765   3.221
  701    HG   SER  91           HG       SER  91 -23.785   7.558   4.810
  702    H    CYS  92           HN       CYS  92 -27.179   4.886   2.916
  703    HA   CYS  92           HA       CYS  92 -27.915   5.310   0.137
  704   1HB   CYS  92          HB2       CYS  92 -29.421   4.094   2.463
  705   2HB   CYS  92          HB1       CYS  92 -30.139   4.340   0.876
  706    H    SER  93           HN       SER  93 -28.686   7.188  -0.538
  707    HA   SER  93           HA       SER  93 -29.039   9.456   0.934
  708   1HB   SER  93          HB2       SER  93 -30.332   8.618  -1.654
  709   2HB   SER  93          HB1       SER  93 -30.567  10.225  -0.962
  710    HG   SER  93           HG       SER  93 -27.944   9.492  -1.025
  711    H    GLU  94           HN       GLU  94 -31.004  10.753   1.280
  712    HA   GLU  94           HA       GLU  94 -32.681   9.799   3.186
  713   1HB   GLU  94          HB2       GLU  94 -32.675  12.120   2.820
  714   2HB   GLU  94          HB1       GLU  94 -33.069  11.945   1.116
  715   1HG   GLU  94          HG2       GLU  94 -35.314  11.289   1.652
  716   2HG   GLU  94          HG1       GLU  94 -34.945  11.301   3.376
  717    H    GLY  95           HN       GLY  95 -34.857   9.097   3.248
  718   1HA   GLY  95          HA2       GLY  95 -36.706   7.914   2.555
  719   2HA   GLY  95          HA1       GLY  95 -36.283   8.329   0.902
  720    H    PHE  96           HN       PHE  96 -33.563   7.101   1.212
  721    HA   PHE  96           HA       PHE  96 -34.446   4.303   0.935
  722   1HB   PHE  96          HB2       PHE  96 -32.143   5.731  -0.428
  723   2HB   PHE  96          HB1       PHE  96 -32.501   4.015  -0.584
  724    HD1  PHE  96           HD1      PHE  96 -33.568   3.374  -2.500
  725    HD2  PHE  96           HD2      PHE  96 -34.313   7.264  -0.944
  726    HE1  PHE  96           HE1      PHE  96 -35.044   3.852  -4.410
  727    HE2  PHE  96           HE2      PHE  96 -35.792   7.748  -2.849
  728    HZ   PHE  96           HZ       PHE  96 -36.159   6.041  -4.585
  729    H    PHE  97           HN       PHE  97 -33.523   2.833   2.245
  730    HA   PHE  97           HA       PHE  97 -31.358   3.788   3.981
  731   1HB   PHE  97          HB2       PHE  97 -32.075   2.252   5.641
  732   2HB   PHE  97          HB1       PHE  97 -33.527   3.020   5.020
  733    HD1  PHE  97           HD1      PHE  97 -34.606   1.687   2.954
  734    HD2  PHE  97           HD2      PHE  97 -32.166   0.007   6.009
  735    HE1  PHE  97           HE1      PHE  97 -35.610  -0.521   2.537
  736    HE2  PHE  97           HE2      PHE  97 -33.164  -2.204   5.595
  737    HZ   PHE  97           HZ       PHE  97 -34.889  -2.469   3.859
  738    H    LEU  98           HN       LEU  98 -29.880   2.077   4.779
  739    HA   LEU  98           HA       LEU  98 -28.714   0.792   2.457
  740   1HB   LEU  98          HB2       LEU  98 -27.383   2.145   4.071
  741   2HB   LEU  98          HB1       LEU  98 -27.660   0.900   5.275
  742    HG   LEU  98           HG       LEU  98 -26.462   0.088   2.670
  743   1HD1  LEU  98          HD11      LEU  98 -25.264   2.143   3.351
  744   2HD1  LEU  98          HD12      LEU  98 -24.251   0.698   3.364
  745   3HD1  LEU  98          HD13      LEU  98 -24.864   1.361   4.880
  746   1HD2  LEU  98          HD21      LEU  98 -26.012  -0.758   5.527
  747   2HD2  LEU  98          HD22      LEU  98 -25.293  -1.504   4.099
  748   3HD2  LEU  98          HD23      LEU  98 -27.037  -1.583   4.353
  749    H    ILE  99           HN       ILE  99 -28.397  -1.324   2.159
  750    HA   ILE  99           HA       ILE  99 -28.982  -3.325   4.180
  751    HB   ILE  99           HB       ILE  99 -30.369  -3.962   1.689
  752   1HG1  ILE  99          HG12      ILE  99 -31.700  -1.892   3.411
  753   2HG1  ILE  99          HG11      ILE  99 -30.743  -1.441   2.006
  754   1HG2  ILE  99          HG21      ILE  99 -31.129  -4.009   4.601
  755   2HG2  ILE  99          HG22      ILE  99 -30.587  -5.363   3.608
  756   3HG2  ILE  99          HG23      ILE  99 -32.154  -4.615   3.299
  757   1HD1  ILE  99          HD11      ILE  99 -33.201  -3.169   1.999
  758   2HD1  ILE  99          HD12      ILE  99 -32.215  -2.792   0.586
  759   3HD1  ILE  99          HD13      ILE  99 -33.075  -1.503   1.431
  760    H    GLY 100           HN       GLY 100 -27.034  -4.141   3.987
  761   1HA   GLY 100          HA2       GLY 100 -26.333  -6.023   2.093
  762   2HA   GLY 100          HA1       GLY 100 -25.600  -4.510   1.562
  763    H    SER 101           HN       SER 101 -24.591  -3.283   3.451
  764    HA   SER 101           HA       SER 101 -23.499  -4.345   5.715
  765   1HB   SER 101          HB2       SER 101 -22.440  -6.078   4.295
  766   2HB   SER 101          HB1       SER 101 -21.658  -4.813   3.346
  767    HG   SER 101           HG       SER 101 -21.288  -5.211   6.131
  768    H    THR 102           HN       THR 102 -23.348  -2.320   6.567
  769    HA   THR 102           HA       THR 102 -22.800  -0.032   5.026
  770    HB   THR 102           HB       THR 102 -22.631   1.182   7.152
  771    HG1  THR 102           HG1      THR 102 -22.429  -1.442   8.168
  772   1HG2  THR 102          HG21      THR 102 -24.849   0.646   8.058
  773   2HG2  THR 102          HG22      THR 102 -24.855  -0.861   7.142
  774   3HG2  THR 102          HG23      THR 102 -24.862   0.685   6.295
  775    H    THR 103           HN       THR 103 -20.739  -2.431   6.073
  776    HA   THR 103           HA       THR 103 -18.462  -0.590   5.861
  777    HB   THR 103           HB       THR 103 -17.178  -2.168   7.220
  778    HG1  THR 103           HG1      THR 103 -19.678  -3.477   7.604
  779   1HG2  THR 103          HG21      THR 103 -19.717  -1.188   8.507
  780   2HG2  THR 103          HG22      THR 103 -18.219  -0.276   8.310
  781   3HG2  THR 103          HG23      THR 103 -18.264  -1.678   9.378
  782    H    SER 104           HN       SER 104 -16.555  -1.470   4.829
  783    HA   SER 104           HA       SER 104 -16.909  -3.914   3.304
  784   1HB   SER 104          HB2       SER 104 -17.703  -1.844   1.956
  785   2HB   SER 104          HB1       SER 104 -15.994  -1.417   1.889
  786    HG   SER 104           HG       SER 104 -16.549  -4.029   1.231
  787    H    ARG 105           HN       ARG 105 -15.165  -5.026   3.832
  788    HA   ARG 105           HA       ARG 105 -12.682  -3.606   4.497
  789   1HB   ARG 105          HB2       ARG 105 -13.439  -6.487   5.006
  790   2HB   ARG 105          HB1       ARG 105 -11.989  -5.679   5.588
  791   1HG   ARG 105          HG2       ARG 105 -13.403  -4.139   6.889
  792   2HG   ARG 105          HG1       ARG 105 -14.828  -5.031   6.354
  793   1HD   ARG 105          HD2       ARG 105 -12.532  -6.163   7.945
  794   2HD   ARG 105          HD1       ARG 105 -14.115  -5.730   8.587
  795    HE   ARG 105           HE       ARG 105 -14.450  -7.550   6.478
  796   1HH1  ARG 105          HH11      ARG 105 -13.231  -7.424   9.739
  797   2HH1  ARG 105          HH12      ARG 105 -13.588  -9.086  10.073
  798   1HH2  ARG 105          HH21      ARG 105 -14.928  -9.737   6.910
  799   2HH2  ARG 105          HH22      ARG 105 -14.553 -10.400   8.466
  800    H    CYS 106           HN       CYS 106 -10.688  -4.243   3.684
  801    HA   CYS 106           HA       CYS 106 -10.817  -5.441   1.013
  802   1HB   CYS 106          HB2       CYS 106  -9.187  -3.332   2.271
  803   2HB   CYS 106          HB1       CYS 106  -8.299  -4.426   1.215
  804    H    GLU 107           HN       GLU 107 -10.207  -7.473   0.821
  805    HA   GLU 107           HA       GLU 107  -8.218  -8.522   2.717
  806   1HB   GLU 107          HB2       GLU 107 -10.669  -9.344   2.847
  807   2HB   GLU 107          HB1       GLU 107 -10.295 -10.228   1.372
  808   1HG   GLU 107          HG2       GLU 107 -10.023 -11.689   3.245
  809   2HG   GLU 107          HG1       GLU 107  -8.437 -11.345   2.554
  810    H    VAL 108           HN       VAL 108  -7.300 -10.684   1.714
  811    HA   VAL 108           HA       VAL 108  -6.822 -10.269  -1.149
  812    HB   VAL 108           HB       VAL 108  -4.712 -10.293   0.968
  813   1HG1  VAL 108          HG11      VAL 108  -4.148 -10.770  -1.954
  814   2HG1  VAL 108          HG12      VAL 108  -4.237 -12.078  -0.771
  815   3HG1  VAL 108          HG13      VAL 108  -3.010 -10.817  -0.605
  816   1HG2  VAL 108          HG21      VAL 108  -5.338  -8.593  -1.430
  817   2HG2  VAL 108          HG22      VAL 108  -3.870  -8.427  -0.465
  818   3HG2  VAL 108          HG23      VAL 108  -5.448  -8.143   0.272
  819    H    GLN 109           HN       GLN 109  -6.801 -11.959  -2.335
  820    HA   GLN 109           HA       GLN 109  -6.672 -14.606  -1.082
  821   1HB   GLN 109          HB2       GLN 109  -7.476 -14.250  -3.932
  822   2HB   GLN 109          HB1       GLN 109  -8.062 -15.401  -2.743
  823   1HG   GLN 109          HG2       GLN 109  -8.730 -12.466  -2.742
  824   2HG   GLN 109          HG1       GLN 109  -9.743 -13.723  -3.446
  825   1HE2  GLN 109          HE21      GLN 109 -10.572 -11.951  -1.420
  826   2HE2  GLN 109          HE22      GLN 109 -10.894 -12.875   0.004
  827    H    ASP 110           HN       ASP 110  -4.550 -15.150  -1.000
  828    HA   ASP 110           HA       ASP 110  -2.510 -15.856  -1.685
  829   1HB   ASP 110          HB2       ASP 110  -3.709 -17.196  -3.311
  830   2HB   ASP 110          HB1       ASP 110  -3.820 -15.820  -4.397
  831    H    ARG 111           HN       ARG 111  -2.906 -14.264  -4.750
  832    HA   ARG 111           HA       ARG 111  -1.216 -12.055  -3.831
  833   1HB   ARG 111          HB2       ARG 111   0.121 -12.153  -5.822
  834   2HB   ARG 111          HB1       ARG 111   0.111 -13.751  -5.092
  835   1HG   ARG 111          HG2       ARG 111  -1.524 -14.514  -6.708
  836   2HG   ARG 111          HG1       ARG 111  -1.604 -12.899  -7.414
  837   1HD   ARG 111          HD2       ARG 111  -0.183 -14.325  -8.762
  838   2HD   ARG 111          HD1       ARG 111   0.776 -13.055  -8.003
  839    HE   ARG 111           HE       ARG 111   0.745 -15.457  -6.460
  840   1HH1  ARG 111          HH11      ARG 111   2.220 -13.889  -9.199
  841   2HH1  ARG 111          HH12      ARG 111   3.684 -14.811  -9.101
  842   1HH2  ARG 111          HH21      ARG 111   2.668 -16.677  -6.326
  843   2HH2  ARG 111          HH22      ARG 111   3.937 -16.396  -7.470
  844    H    GLY 112           HN       GLY 112  -4.136 -12.770  -4.852
  845   1HA   GLY 112          HA2       GLY 112  -4.390 -10.315  -6.474
  846   2HA   GLY 112          HA1       GLY 112  -5.386 -11.741  -6.732
  847    H    VAL 113           HN       VAL 113  -5.014  -8.835  -5.023
  848    HA   VAL 113           HA       VAL 113  -6.360  -9.154  -2.675
  849    HB   VAL 113           HB       VAL 113  -7.218  -6.804  -4.249
  850   1HG1  VAL 113          HG11      VAL 113  -5.970  -7.076  -1.528
  851   2HG1  VAL 113          HG12      VAL 113  -7.699  -7.013  -1.864
  852   3HG1  VAL 113          HG13      VAL 113  -6.681  -5.615  -2.212
  853   1HG2  VAL 113          HG21      VAL 113  -4.346  -7.394  -3.590
  854   2HG2  VAL 113          HG22      VAL 113  -4.957  -5.767  -3.913
  855   3HG2  VAL 113          HG23      VAL 113  -5.049  -7.007  -5.163
  856    H    GLY 114           HN       GLY 114  -8.521  -9.258  -1.999
  857   1HA   GLY 114          HA2       GLY 114 -10.413  -9.632  -4.205
  858   2HA   GLY 114          HA1       GLY 114 -10.423 -10.607  -2.741
  859    H    TRP 115           HN       TRP 115 -12.349  -8.603  -4.032
  860    HA   TRP 115           HA       TRP 115 -12.614  -6.684  -1.864
  861   1HB   TRP 115          HB2       TRP 115 -13.205  -6.578  -4.608
  862   2HB   TRP 115          HB1       TRP 115 -14.765  -6.597  -3.797
  863    HD1  TRP 115           HD1      TRP 115 -13.311  -4.081  -5.374
  864    HE1  TRP 115           HE1      TRP 115 -13.189  -1.830  -4.129
  865    HE3  TRP 115           HE3      TRP 115 -13.929  -5.748  -0.570
  866    HZ2  TRP 115           HZ2      TRP 115 -13.329  -0.885  -1.490
  867    HZ3  TRP 115           HZ3      TRP 115 -13.917  -4.095   1.251
  868    HH2  TRP 115           HH2      TRP 115 -13.623  -1.717   0.801
  869    H    SER 116           HN       SER 116 -13.484  -7.604  -0.104
  870    HA   SER 116           HA       SER 116 -14.993  -9.827   0.175
  871   1HB   SER 116          HB2       SER 116 -15.900  -8.853   2.256
  872   2HB   SER 116          HB1       SER 116 -14.177  -8.519   2.081
  873    HG   SER 116           HG       SER 116 -15.631  -6.568   0.930
  874    H    HIS 117           HN       HIS 117 -16.228  -6.588  -0.600
  875    HA   HIS 117           HA       HIS 117 -18.365  -7.486  -2.161
  876   1HB   HIS 117          HB2       HIS 117 -19.155  -8.246   0.136
  877   2HB   HIS 117          HB1       HIS 117 -19.308  -6.540   0.542
  878    HD1  HIS 117           HD1      HIS 117 -20.982  -9.282  -1.290
  879    HD2  HIS 117           HD2      HIS 117 -21.377  -5.169  -0.853
  880    HE1  HIS 117           HE1      HIS 117 -23.260  -8.724  -2.200
  881    HE2  HIS 117           HE2      HIS 117 -23.509  -6.242  -1.847
  882    HA   PRO 118           HA       PRO 118 -17.999  -3.146  -3.033
  883   1HB   PRO 118          HB2       PRO 118 -20.280  -3.419  -4.831
  884   2HB   PRO 118          HB1       PRO 118 -18.585  -3.125  -5.227
  885   1HG   PRO 118          HG2       PRO 118 -19.838  -5.463  -5.791
  886   2HG   PRO 118          HG1       PRO 118 -18.106  -5.365  -5.420
  887   1HD   PRO 118          HD2       PRO 118 -20.383  -6.167  -3.642
  888   2HD   PRO 118          HD1       PRO 118 -18.772  -6.901  -3.807
  889    H    LEU 119           HN       LEU 119 -20.268  -1.622  -3.908
  890    HA   LEU 119           HA       LEU 119 -21.264  -0.722  -1.474
  891   1HB   LEU 119          HB2       LEU 119 -23.135   0.210  -3.150
  892   2HB   LEU 119          HB1       LEU 119 -21.561   0.938  -2.949
  893    HG   LEU 119           HG       LEU 119 -22.416   0.661  -5.315
  894   1HD1  LEU 119          HD11      LEU 119 -20.078   1.148  -4.698
  895   2HD1  LEU 119          HD12      LEU 119 -20.246   0.244  -6.203
  896   3HD1  LEU 119          HD13      LEU 119 -19.750  -0.586  -4.726
  897   1HD2  LEU 119          HD21      LEU 119 -21.642  -2.207  -4.851
  898   2HD2  LEU 119          HD22      LEU 119 -22.104  -1.479  -6.391
  899   3HD2  LEU 119          HD23      LEU 119 -23.286  -1.612  -5.089
  900    HA   PRO 120           HA       PRO 120 -24.706  -3.374  -0.707
  901   1HB   PRO 120          HB2       PRO 120 -26.159  -1.890   0.957
  902   2HB   PRO 120          HB1       PRO 120 -24.520  -2.393   1.384
  903   1HG   PRO 120          HG2       PRO 120 -25.507   0.255   0.433
  904   2HG   PRO 120          HG1       PRO 120 -24.242  -0.111   1.617
  905   1HD   PRO 120          HD2       PRO 120 -23.845   0.551  -1.079
  906   2HD   PRO 120          HD1       PRO 120 -22.639  -0.156   0.012
  907    H    GLN 121           HN       GLN 121 -27.311  -2.766  -0.152
  908    HA   GLN 121           HA       GLN 121 -28.333  -1.955  -2.787
  909   1HB   GLN 121          HB2       GLN 121 -28.776  -4.292  -1.745
  910   2HB   GLN 121          HB1       GLN 121 -29.919  -3.445  -0.717
  911   1HG   GLN 121          HG2       GLN 121 -31.136  -2.670  -2.675
  912   2HG   GLN 121          HG1       GLN 121 -29.979  -3.490  -3.725
  913   1HE2  GLN 121          HE21      GLN 121 -32.618  -3.884  -1.504
  914   2HE2  GLN 121          HE22      GLN 121 -32.949  -5.539  -1.872
  915    H    CYS 122           HN       CYS 122 -29.290  -0.013  -2.923
  916    HA   CYS 122           HA       CYS 122 -30.335   1.161  -0.443
  917   1HB   CYS 122          HB2       CYS 122 -29.419   2.411  -3.027
  918   2HB   CYS 122          HB1       CYS 122 -30.320   3.311  -1.811
  919    H    GLU 123           HN       GLU 123 -32.424   0.783  -0.152
  920    HA   GLU 123           HA       GLU 123 -34.260   1.108  -2.440
  921   1HB   GLU 123          HB2       GLU 123 -33.995  -1.288  -1.759
  922   2HB   GLU 123          HB1       GLU 123 -34.574  -0.849  -0.158
  923   1HG   GLU 123          HG2       GLU 123 -36.700  -0.134  -1.118
  924   2HG   GLU 123          HG1       GLU 123 -36.119  -0.569  -2.725
  925    H    ILE 124           HN       ILE 124 -36.170   2.117  -2.048
  926    HA   ILE 124           HA       ILE 124 -36.095   4.055   0.056
  927    HB   ILE 124           HB       ILE 124 -36.979   4.643  -2.141
  928   1HG1  ILE 124          HG12      ILE 124 -39.186   4.719  -0.074
  929   2HG1  ILE 124          HG11      ILE 124 -37.799   5.803  -0.079
  930   1HG2  ILE 124          HG21      ILE 124 -39.225   3.788  -2.814
  931   2HG2  ILE 124          HG22      ILE 124 -39.095   2.595  -1.521
  932   3HG2  ILE 124          HG23      ILE 124 -37.940   2.580  -2.853
  933   1HD1  ILE 124          HD11      ILE 124 -39.852   5.585  -2.267
  934   2HD1  ILE 124          HD12      ILE 124 -38.486   6.701  -2.225
  935   3HD1  ILE 124          HD13      ILE 124 -39.783   6.847  -1.037
  936    H    LEU 125           HN       LEU 125 -37.528   4.303   1.763
  937    HA   LEU 125           HA       LEU 125 -38.383   1.898   3.015
  938   1HB   LEU 125          HB2       LEU 125 -39.026   4.750   3.766
  939   2HB   LEU 125          HB1       LEU 125 -39.153   3.348   4.808
  940    HG   LEU 125           HG       LEU 125 -36.539   4.293   3.635
  941   1HD1  LEU 125          HD11      LEU 125 -37.471   6.060   5.029
  942   2HD1  LEU 125          HD12      LEU 125 -36.087   5.302   5.815
  943   3HD1  LEU 125          HD13      LEU 125 -37.724   4.907   6.339
  944   1HD2  LEU 125          HD21      LEU 125 -35.540   2.903   5.337
  945   2HD2  LEU 125          HD22      LEU 125 -36.658   1.940   4.369
  946   3HD2  LEU 125          HD23      LEU 125 -37.132   2.490   5.976
  947    H    GLU 126           HN       GLU 126 -39.911   4.275   1.010
  948    HA   GLU 126           HA       GLU 126 -42.564   3.156   1.581
  949   1HB   GLU 126          HB2       GLU 126 -41.678   5.707   0.240
  950   2HB   GLU 126          HB1       GLU 126 -43.338   5.134   0.164
  951   1HG   GLU 126          HG2       GLU 126 -43.501   5.236   2.587
  952   2HG   GLU 126          HG1       GLU 126 -41.823   5.769   2.687
  953    H    HIS 127           HN       HIS 127 -43.839   3.763  -0.802
  954    HA   HIS 127           HA       HIS 127 -42.515   1.905  -2.663
  955   1HB   HIS 127          HB2       HIS 127 -44.654   1.100  -1.646
  956   2HB   HIS 127          HB1       HIS 127 -45.480   2.449  -2.419
  957    HD1  HIS 127           HD1      HIS 127 -46.412   1.983  -4.660
  958    HD2  HIS 127           HD2      HIS 127 -43.379  -0.675  -3.660
  959    HE1  HIS 127           HE1      HIS 127 -46.338   0.312  -6.537
  960    HE2  HIS 127           HE2      HIS 127 -44.556  -1.337  -5.867
  961    H    HIS 128           HN       HIS 128 -45.357   3.773  -3.458
  962    HA   HIS 128           HA       HIS 128 -45.786   5.291  -5.090
  963   1HB   HIS 128          HB2       HIS 128 -43.051   6.251  -4.242
  964   2HB   HIS 128          HB1       HIS 128 -44.090   7.131  -5.359
  965    HD1  HIS 128           HD1      HIS 128 -45.734   8.698  -4.342
  966    HD2  HIS 128           HD2      HIS 128 -44.268   5.954  -1.587
  967    HE1  HIS 128           HE1      HIS 128 -46.650   9.426  -2.115
  968    HE2  HIS 128           HE2      HIS 128 -45.813   7.706  -0.475
  969    H    HIS 129           HN       HIS 129 -45.971   4.393  -7.043
  970    HA   HIS 129           HA       HIS 129 -43.500   3.832  -8.552
  971   1HB   HIS 129          HB2       HIS 129 -44.864   1.819  -8.024
  972   2HB   HIS 129          HB1       HIS 129 -46.209   2.532  -8.910
  973    HD1  HIS 129           HD1      HIS 129 -46.044   2.569 -11.491
  974    HD2  HIS 129           HD2      HIS 129 -42.820   0.754  -9.602
  975    HE1  HIS 129           HE1      HIS 129 -44.789   1.368 -13.310
  976    HE2  HIS 129           HE2      HIS 129 -42.814   0.317 -12.151
  977    H    HIS 130           HN       HIS 130 -43.496   4.309 -10.808
  978    HA   HIS 130           HA       HIS 130 -45.668   5.675 -12.058
  979   1HB   HIS 130          HB2       HIS 130 -44.881   7.499 -10.621
  980   2HB   HIS 130          HB1       HIS 130 -43.253   7.320 -11.267
  981    HD1  HIS 130           HD1      HIS 130 -46.547   8.844 -11.988
  982    HD2  HIS 130           HD2      HIS 130 -42.929   8.243 -13.941
  983    HE1  HIS 130           HE1      HIS 130 -46.610  10.354 -13.999
  984    HE2  HIS 130           HE2      HIS 130 -44.455   9.893 -15.221
  985    H    HIS 131           HN       HIS 131 -42.159   5.170 -12.045
  986    HA   HIS 131           HA       HIS 131 -40.696   4.536 -13.661
  987   1HB   HIS 131          HB2       HIS 131 -42.266   2.662 -13.982
  988   2HB   HIS 131          HB1       HIS 131 -43.182   3.631 -15.132
  989    HD1  HIS 131           HD1      HIS 131 -42.535   3.366 -17.512
  990    HD2  HIS 131           HD2      HIS 131 -39.500   2.185 -14.932
  991    HE1  HIS 131           HE1      HIS 131 -40.739   2.403 -18.984
  992    HE2  HIS 131           HE2      HIS 131 -38.879   1.770 -17.408
  993    H    HIS 132           HN       HIS 132 -39.769   6.343 -14.416
  994    HA   HIS 132           HA       HIS 132 -41.192   8.174 -16.136
  995   1HB   HIS 132          HB2       HIS 132 -39.565   8.958 -14.428
  996   2HB   HIS 132          HB1       HIS 132 -38.275   8.172 -15.332
  997    HD1  HIS 132           HD1      HIS 132 -37.203   9.504 -17.155
  998    HD2  HIS 132           HD2      HIS 132 -40.803  11.153 -15.894
  999    HE1  HIS 132           HE1      HIS 132 -37.373  11.722 -18.327
 1000    HE2  HIS 132           HE2      HIS 132 -39.516  12.740 -17.479
  Start of MODEL   36
    1   1H    MET   0           HT1      MET   0  34.222  -3.724  -2.774
    2   2H    MET   0           HT2      MET   0  35.816  -4.022  -2.293
    3   3H    MET   0           HT3      MET   0  35.290  -2.433  -2.541
    4    HA   MET   0           HA       MET   0  34.288  -4.271  -0.446
    5   1HB   MET   0          HB2       MET   0  35.453  -2.771   1.123
    6   2HB   MET   0          HB1       MET   0  36.572  -3.545   0.010
    7   1HG   MET   0          HG2       MET   0  36.641  -1.505  -1.336
    8   2HG   MET   0          HG1       MET   0  35.529  -0.731  -0.209
    9   1HE   MET   0          HE1       MET   0  39.158  -2.141  -0.748
   10   2HE   MET   0          HE2       MET   0  38.512  -3.174   0.528
   11   3HE   MET   0          HE3       MET   0  39.816  -2.041   0.886
   12    H    ASN   1           HN       ASN   1  33.247  -2.143  -2.583
   13    HA   ASN   1           HA       ASN   1  31.273  -1.028  -0.736
   14   1HB   ASN   1          HB2       ASN   1  32.459   0.914  -0.875
   15   2HB   ASN   1          HB1       ASN   1  33.172   0.501  -2.431
   16   1HD2  ASN   1          HD21      ASN   1  30.164   1.477  -0.892
   17   2HD2  ASN   1          HD22      ASN   1  29.552   2.372  -2.236
   18    H    CYS   2           HN       CYS   2  29.376  -0.092  -1.918
   19    HA   CYS   2           HA       CYS   2  28.759  -1.806  -4.221
   20   1HB   CYS   2          HB2       CYS   2  26.933  -0.386  -2.273
   21   2HB   CYS   2          HB1       CYS   2  26.381  -1.330  -3.654
   22    H    GLY   3           HN       GLY   3  27.158  -0.818  -5.803
   23   1HA   GLY   3          HA2       GLY   3  28.236   1.666  -6.762
   24   2HA   GLY   3          HA1       GLY   3  26.932   0.744  -7.499
   25    HA   PRO   4           HA       PRO   4  25.630   4.865  -5.205
   26   1HB   PRO   4          HB2       PRO   4  24.561   5.156  -7.989
   27   2HB   PRO   4          HB1       PRO   4  25.117   6.403  -6.865
   28   1HG   PRO   4          HG2       PRO   4  26.685   5.606  -8.856
   29   2HG   PRO   4          HG1       PRO   4  27.364   5.927  -7.249
   30   1HD   PRO   4          HD2       PRO   4  26.848   3.324  -8.603
   31   2HD   PRO   4          HD1       PRO   4  28.123   3.766  -7.449
   32    HA   PRO   5           HA       PRO   5  21.936   2.612  -4.139
   33   1HB   PRO   5          HB2       PRO   5  21.010   5.389  -3.536
   34   2HB   PRO   5          HB1       PRO   5  20.888   3.923  -2.554
   35   1HG   PRO   5          HG2       PRO   5  22.731   5.750  -2.002
   36   2HG   PRO   5          HG1       PRO   5  23.119   4.021  -1.901
   37   1HD   PRO   5          HD2       PRO   5  23.871   6.018  -3.981
   38   2HD   PRO   5          HD1       PRO   5  24.787   4.628  -3.367
   39    HA   PRO   6           HA       PRO   6  19.861   3.371  -8.133
   40   1HB   PRO   6          HB2       PRO   6  18.342   1.077  -7.880
   41   2HB   PRO   6          HB1       PRO   6  19.946   1.135  -8.620
   42   1HG   PRO   6          HG2       PRO   6  19.145   0.318  -5.857
   43   2HG   PRO   6          HG1       PRO   6  20.357  -0.400  -6.932
   44   1HD   PRO   6          HD2       PRO   6  21.057   1.189  -4.889
   45   2HD   PRO   6          HD1       PRO   6  21.942   1.213  -6.429
   46    H    THR   7           HN       THR   7  17.430   2.742  -8.581
   47    HA   THR   7           HA       THR   7  15.845   4.336  -6.690
   48    HB   THR   7           HB       THR   7  15.270   3.603  -9.570
   49    HG1  THR   7           HG1      THR   7  16.358   5.875  -8.298
   50   1HG2  THR   7          HG21      THR   7  13.434   5.249  -9.374
   51   2HG2  THR   7          HG22      THR   7  13.764   5.381  -7.647
   52   3HG2  THR   7          HG23      THR   7  13.203   3.852  -8.323
   53    H    LEU   8           HN       LEU   8  14.199   3.404  -5.563
   54    HA   LEU   8           HA       LEU   8  13.605   0.597  -6.190
   55   1HB   LEU   8          HB2       LEU   8  13.188   2.078  -3.597
   56   2HB   LEU   8          HB1       LEU   8  12.930   0.365  -3.865
   57    HG   LEU   8           HG       LEU   8  15.584   1.805  -3.940
   58   1HD1  LEU   8          HD11      LEU   8  16.098   0.539  -1.956
   59   2HD1  LEU   8          HD12      LEU   8  14.535  -0.275  -2.029
   60   3HD1  LEU   8          HD13      LEU   8  14.614   1.456  -1.695
   61   1HD2  LEU   8          HD21      LEU   8  15.064  -1.145  -4.236
   62   2HD2  LEU   8          HD22      LEU   8  16.610  -0.304  -4.358
   63   3HD2  LEU   8          HD23      LEU   8  15.372  -0.057  -5.589
   64    H    SER   9           HN       SER   9  11.369   0.062  -5.008
   65    HA   SER   9           HA       SER   9   9.373   1.953  -6.071
   66   1HB   SER   9          HB2       SER   9   9.494  -0.049  -7.481
   67   2HB   SER   9          HB1       SER   9   9.251  -1.075  -6.068
   68    HG   SER   9           HG       SER   9   7.231  -0.883  -6.663
   69    H    PHE  10           HN       PHE  10   9.700  -0.833  -3.887
   70    HA   PHE  10           HA       PHE  10   7.470  -0.216  -2.293
   71   1HB   PHE  10          HB2       PHE  10   8.908  -1.647  -0.570
   72   2HB   PHE  10          HB1       PHE  10   8.104  -2.389  -1.950
   73    HD1  PHE  10           HD1      PHE  10   9.314  -3.719  -3.379
   74    HD2  PHE  10           HD2      PHE  10  11.361  -0.862  -0.984
   75    HE1  PHE  10           HE1      PHE  10  11.467  -4.602  -4.177
   76    HE2  PHE  10           HE2      PHE  10  13.519  -1.738  -1.777
   77    HZ   PHE  10           HZ       PHE  10  13.574  -3.610  -3.377
   78    H    ALA  11           HN       ALA  11  10.492   1.277  -2.529
   79    HA   ALA  11           HA       ALA  11   9.854   2.960  -0.231
   80   1HB   ALA  11          HB1       ALA  11  12.530   1.616  -0.501
   81   2HB   ALA  11          HB2       ALA  11  11.260   1.130   0.622
   82   3HB   ALA  11          HB3       ALA  11  12.015   2.717   0.779
   83    H    ALA  12           HN       ALA  12  10.890   4.959  -0.202
   84    HA   ALA  12           HA       ALA  12  12.545   5.642  -2.538
   85   1HB   ALA  12          HB1       ALA  12  11.365   7.727  -2.794
   86   2HB   ALA  12          HB2       ALA  12  10.377   7.385  -1.375
   87   3HB   ALA  12          HB3       ALA  12  10.202   6.401  -2.827
   88    HA   PRO  13           HA       PRO  13  15.633   7.445   0.042
   89   1HB   PRO  13          HB2       PRO  13  15.125   9.954  -1.506
   90   2HB   PRO  13          HB1       PRO  13  16.658   9.169  -1.111
   91   1HG   PRO  13          HG2       PRO  13  15.597   8.929  -3.543
   92   2HG   PRO  13          HG1       PRO  13  16.409   7.559  -2.763
   93   1HD   PRO  13          HD2       PRO  13  13.510   8.037  -3.211
   94   2HD   PRO  13          HD1       PRO  13  14.403   6.506  -3.117
   95    H    MET  14           HN       MET  14  15.776   8.630   1.925
   96    HA   MET  14           HA       MET  14  13.488  10.360   2.572
   97   1HB   MET  14          HB2       MET  14  14.835   8.337   4.361
   98   2HB   MET  14          HB1       MET  14  13.697   9.548   4.935
   99   1HG   MET  14          HG2       MET  14  12.014   8.583   3.354
  100   2HG   MET  14          HG1       MET  14  13.157   7.277   3.045
  101   1HE   MET  14          HE1       MET  14  11.321   8.128   7.194
  102   2HE   MET  14          HE2       MET  14  10.832   8.995   5.739
  103   3HE   MET  14          HE3       MET  14  12.462   9.199   6.380
  104    H    ASP  15           HN       ASP  15  16.886   9.780   2.780
  105    HA   ASP  15           HA       ASP  15  17.359  12.535   3.479
  106   1HB   ASP  15          HB2       ASP  15  17.078  11.429   5.687
  107   2HB   ASP  15          HB1       ASP  15  18.418  10.360   5.287
  108    H    ILE  16           HN       ILE  16  19.540   9.871   4.080
  109    HA   ILE  16           HA       ILE  16  21.677   9.543   3.335
  110    HB   ILE  16           HB       ILE  16  20.607   8.050   1.857
  111   1HG1  ILE  16          HG12      ILE  16  22.391   9.837   0.209
  112   2HG1  ILE  16          HG11      ILE  16  22.932   8.544   1.274
  113   1HG2  ILE  16          HG21      ILE  16  19.907  10.376   0.084
  114   2HG2  ILE  16          HG22      ILE  16  18.785   9.495   1.121
  115   3HG2  ILE  16          HG23      ILE  16  19.554   8.679  -0.240
  116   1HD1  ILE  16          HD11      ILE  16  22.988   7.835  -1.036
  117   2HD1  ILE  16          HD12      ILE  16  21.276   8.216  -1.216
  118   3HD1  ILE  16          HD13      ILE  16  21.782   6.914  -0.141
  119    H    THR  17           HN       THR  17  22.632  11.526   3.844
  120    HA   THR  17           HA       THR  17  22.584  13.859   2.391
  121    HB   THR  17           HB       THR  17  24.931  14.263   3.148
  122    HG1  THR  17           HG1      THR  17  25.307  12.318   4.841
  123   1HG2  THR  17          HG21      THR  17  22.994  14.799   4.584
  124   2HG2  THR  17          HG22      THR  17  24.412  14.333   5.526
  125   3HG2  THR  17          HG23      THR  17  23.093  13.186   5.291
  126    H    LEU  18           HN       LEU  18  22.767  14.050   0.265
  127    HA   LEU  18           HA       LEU  18  24.129  12.198  -1.360
  128   1HB   LEU  18          HB2       LEU  18  22.659  14.735  -1.737
  129   2HB   LEU  18          HB1       LEU  18  23.786  14.290  -3.001
  130    HG   LEU  18           HG       LEU  18  21.599  13.490  -3.605
  131   1HD1  LEU  18          HD11      LEU  18  23.435  12.041  -4.215
  132   2HD1  LEU  18          HD12      LEU  18  22.032  11.067  -3.777
  133   3HD1  LEU  18          HD13      LEU  18  23.369  11.250  -2.640
  134   1HD2  LEU  18          HD21      LEU  18  21.599  12.048  -0.958
  135   2HD2  LEU  18          HD22      LEU  18  20.362  11.914  -2.207
  136   3HD2  LEU  18          HD23      LEU  18  20.610  13.448  -1.372
  137    H    THR  19           HN       THR  19  25.175  14.368  -3.133
  138    HA   THR  19           HA       THR  19  27.127  15.440  -3.603
  139    HB   THR  19           HB       THR  19  28.156  16.778  -2.012
  140    HG1  THR  19           HG1      THR  19  27.977  16.156   0.315
  141   1HG2  THR  19          HG21      THR  19  25.436  16.186  -0.832
  142   2HG2  THR  19          HG22      THR  19  25.792  17.355  -2.105
  143   3HG2  THR  19          HG23      THR  19  26.415  17.610  -0.475
  144    H    GLU  20           HN       GLU  20  26.823  12.502  -2.509
  145    HA   GLU  20           HA       GLU  20  29.709  11.917  -2.431
  146   1HB   GLU  20          HB2       GLU  20  27.386  10.405  -1.225
  147   2HB   GLU  20          HB1       GLU  20  29.030   9.784  -1.295
  148   1HG   GLU  20          HG2       GLU  20  29.805  11.622   0.087
  149   2HG   GLU  20          HG1       GLU  20  28.176  12.298   0.125
  150    H    THR  21           HN       THR  21  29.526   9.179  -2.876
  151    HA   THR  21           HA       THR  21  28.075   8.782  -5.361
  152    HB   THR  21           HB       THR  21  30.393   7.872  -6.291
  153    HG1  THR  21           HG1      THR  21  31.276  10.202  -4.962
  154   1HG2  THR  21          HG21      THR  21  29.672  10.801  -6.410
  155   2HG2  THR  21          HG22      THR  21  28.873   9.539  -7.348
  156   3HG2  THR  21          HG23      THR  21  30.584   9.883  -7.608
  157    H    ARG  22           HN       ARG  22  30.185   7.543  -2.849
  158    HA   ARG  22           HA       ARG  22  29.245   4.830  -3.485
  159   1HB   ARG  22          HB2       ARG  22  31.933   5.629  -2.392
  160   2HB   ARG  22          HB1       ARG  22  31.359   3.975  -2.552
  161   1HG   ARG  22          HG2       ARG  22  31.177   4.294  -4.984
  162   2HG   ARG  22          HG1       ARG  22  31.826   5.925  -4.798
  163   1HD   ARG  22          HD2       ARG  22  33.873   4.967  -3.811
  164   2HD   ARG  22          HD1       ARG  22  33.226   3.350  -4.090
  165    HE   ARG  22           HE       ARG  22  33.143   4.424  -6.548
  166   1HH1  ARG  22          HH11      ARG  22  35.658   4.289  -4.142
  167   2HH1  ARG  22          HH12      ARG  22  36.945   4.272  -5.301
  168   1HH2  ARG  22          HH21      ARG  22  34.830   4.406  -8.083
  169   2HH2  ARG  22          HH22      ARG  22  36.473   4.342  -7.542
  170    H    PHE  23           HN       PHE  23  29.152   3.385  -1.617
  171    HA   PHE  23           HA       PHE  23  29.016   4.618   1.026
  172   1HB   PHE  23          HB2       PHE  23  26.689   3.098  -0.185
  173   2HB   PHE  23          HB1       PHE  23  26.773   3.734   1.455
  174    HD1  PHE  23           HD1      PHE  23  26.878   4.790  -2.099
  175    HD2  PHE  23           HD2      PHE  23  25.984   5.878   1.914
  176    HE1  PHE  23           HE1      PHE  23  25.969   6.922  -2.891
  177    HE2  PHE  23           HE2      PHE  23  25.057   8.019   1.128
  178    HZ   PHE  23           HZ       PHE  23  25.047   8.545  -1.279
  179    H    LYS  24           HN       LYS  24  30.785   3.366   1.567
  180    HA   LYS  24           HA       LYS  24  31.460   0.795   1.103
  181   1HB   LYS  24          HB2       LYS  24  32.110   0.765   3.648
  182   2HB   LYS  24          HB1       LYS  24  32.955   1.794   2.501
  183   1HG   LYS  24          HG2       LYS  24  31.676   3.709   3.201
  184   2HG   LYS  24          HG1       LYS  24  30.675   2.699   4.246
  185   1HD   LYS  24          HD2       LYS  24  33.654   2.890   4.591
  186   2HD   LYS  24          HD1       LYS  24  32.548   4.034   5.353
  187   1HE   LYS  24          HE2       LYS  24  32.993   2.353   6.960
  188   2HE   LYS  24          HE1       LYS  24  31.364   2.056   6.357
  189   1HZ   LYS  24          HZ1       LYS  24  33.787   0.637   5.397
  190   2HZ   LYS  24          HZ2       LYS  24  32.184   0.298   4.977
  191   3HZ   LYS  24          HZ3       LYS  24  32.718   0.028   6.558
  192    H    THR  25           HN       THR  25  31.256  -1.176   2.376
  193    HA   THR  25           HA       THR  25  28.619  -2.026   2.639
  194    HB   THR  25           HB       THR  25  29.633  -3.904   4.017
  195    HG1  THR  25           HG1      THR  25  31.467  -2.880   4.808
  196   1HG2  THR  25          HG21      THR  25  30.915  -3.403   1.333
  197   2HG2  THR  25          HG22      THR  25  29.281  -4.024   1.563
  198   3HG2  THR  25          HG23      THR  25  30.668  -4.971   2.106
  199    H    GLY  26           HN       GLY  26  27.730  -2.922   4.789
  200   1HA   GLY  26          HA2       GLY  26  27.105  -2.597   6.984
  201   2HA   GLY  26          HA1       GLY  26  28.555  -1.627   7.200
  202    H    THR  27           HN       THR  27  27.574   0.057   4.788
  203    HA   THR  27           HA       THR  27  26.463   2.171   6.265
  204    HB   THR  27           HB       THR  27  27.635   2.123   3.912
  205    HG1  THR  27           HG1      THR  27  27.223   4.131   4.521
  206   1HG2  THR  27          HG21      THR  27  24.774   2.262   2.999
  207   2HG2  THR  27          HG22      THR  27  25.675   0.746   2.985
  208   3HG2  THR  27          HG23      THR  27  26.239   2.115   2.025
  209    H    THR  28           HN       THR  28  24.239   3.083   6.007
  210    HA   THR  28           HA       THR  28  22.242   1.256   4.981
  211    HB   THR  28           HB       THR  28  22.211   1.987   7.913
  212    HG1  THR  28           HG1      THR  28  22.760  -0.125   8.270
  213   1HG2  THR  28          HG21      THR  28  20.256   0.540   8.047
  214   2HG2  THR  28          HG22      THR  28  20.350   0.224   6.315
  215   3HG2  THR  28          HG23      THR  28  19.971   1.845   6.896
  216    H    LEU  29           HN       LEU  29  20.699   2.329   4.034
  217    HA   LEU  29           HA       LEU  29  20.467   5.194   4.404
  218   1HB   LEU  29          HB2       LEU  29  19.026   3.308   2.533
  219   2HB   LEU  29          HB1       LEU  29  18.848   5.049   2.524
  220    HG   LEU  29           HG       LEU  29  20.296   4.421   0.722
  221   1HD1  LEU  29          HD11      LEU  29  20.864   6.476   1.957
  222   2HD1  LEU  29          HD12      LEU  29  22.267   5.716   1.201
  223   3HD1  LEU  29          HD13      LEU  29  21.998   5.545   2.937
  224   1HD2  LEU  29          HD21      LEU  29  21.980   3.006   2.779
  225   2HD2  LEU  29          HD22      LEU  29  22.405   3.232   1.082
  226   3HD2  LEU  29          HD23      LEU  29  21.008   2.248   1.518
  227    H    LYS  30           HN       LYS  30  17.678   5.392   3.719
  228    HA   LYS  30           HA       LYS  30  16.425   4.384   6.190
  229   1HB   LYS  30          HB2       LYS  30  16.927   6.958   5.882
  230   2HB   LYS  30          HB1       LYS  30  15.481   6.907   4.881
  231   1HG   LYS  30          HG2       LYS  30  14.846   7.571   7.077
  232   2HG   LYS  30          HG1       LYS  30  14.256   5.930   6.811
  233   1HD   LYS  30          HD2       LYS  30  15.208   6.133   9.035
  234   2HD   LYS  30          HD1       LYS  30  16.188   5.048   8.047
  235   1HE   LYS  30          HE2       LYS  30  17.579   6.568   9.370
  236   2HE   LYS  30          HE1       LYS  30  17.789   6.832   7.639
  237   1HZ   LYS  30          HZ1       LYS  30  16.278   8.723   7.794
  238   2HZ   LYS  30          HZ2       LYS  30  17.613   8.923   8.811
  239   3HZ   LYS  30          HZ3       LYS  30  16.117   8.478   9.460
  240    H    TYR  31           HN       TYR  31  15.184   6.089   3.339
  241    HA   TYR  31           HA       TYR  31  13.661   5.548   1.757
  242   1HB   TYR  31          HB2       TYR  31  14.504   2.792   2.591
  243   2HB   TYR  31          HB1       TYR  31  13.235   3.034   1.397
  244    HD1  TYR  31           HD1      TYR  31  16.812   3.290   2.075
  245    HD2  TYR  31           HD2      TYR  31  13.748   3.989  -0.792
  246    HE1  TYR  31           HE1      TYR  31  18.517   3.540   0.322
  247    HE2  TYR  31           HE2      TYR  31  15.444   4.240  -2.554
  248    HH   TYR  31           HH       TYR  31  17.829   4.813  -2.744
  249    H    THR  32           HN       THR  32  11.585   5.904   1.836
  250    HA   THR  32           HA       THR  32  10.016   4.816   4.074
  251    HB   THR  32           HB       THR  32   9.827   7.141   4.192
  252    HG1  THR  32           HG1      THR  32   7.661   7.540   3.570
  253   1HG2  THR  32          HG21      THR  32   9.400   8.591   2.247
  254   2HG2  THR  32          HG22      THR  32   9.487   7.181   1.192
  255   3HG2  THR  32          HG23      THR  32  10.914   7.699   2.092
  256    H    CYS  33           HN       CYS  33   7.934   3.946   3.688
  257    HA   CYS  33           HA       CYS  33   7.663   2.784   1.012
  258   1HB   CYS  33          HB2       CYS  33   7.743   1.255   2.945
  259   2HB   CYS  33          HB1       CYS  33   6.298   2.015   3.595
  260    H    LEU  34           HN       LEU  34   6.220   3.382  -0.321
  261    HA   LEU  34           HA       LEU  34   4.541   5.559  -0.061
  262   1HB   LEU  34          HB2       LEU  34   4.017   3.259  -1.931
  263   2HB   LEU  34          HB1       LEU  34   3.586   4.944  -2.156
  264    HG   LEU  34           HG       LEU  34   6.398   3.834  -2.134
  265   1HD1  LEU  34          HD11      LEU  34   5.204   3.196  -4.136
  266   2HD1  LEU  34          HD12      LEU  34   6.394   4.441  -4.512
  267   3HD1  LEU  34          HD13      LEU  34   4.686   4.863  -4.389
  268   1HD2  LEU  34          HD21      LEU  34   5.406   6.635  -2.640
  269   2HD2  LEU  34          HD22      LEU  34   7.070   6.079  -2.834
  270   3HD2  LEU  34          HD23      LEU  34   6.324   6.091  -1.236
  271    HA   PRO  35           HA       PRO  35   0.890   4.572   2.092
  272   1HB   PRO  35          HB2       PRO  35  -0.719   5.372  -0.262
  273   2HB   PRO  35          HB1       PRO  35  -0.756   5.986   1.394
  274   1HG   PRO  35          HG2       PRO  35   0.357   7.416  -0.554
  275   2HG   PRO  35          HG1       PRO  35   1.086   7.362   1.062
  276   1HD   PRO  35          HD2       PRO  35   1.896   5.927  -1.435
  277   2HD   PRO  35          HD1       PRO  35   2.911   6.692  -0.195
  278    H    GLY  36           HN       GLY  36  -0.192   3.848  -1.204
  279   1HA   GLY  36          HA2       GLY  36  -2.004   1.872  -0.534
  280   2HA   GLY  36          HA1       GLY  36  -1.285   2.086  -2.114
  281    H    TYR  37           HN       TYR  37   1.215   1.457   0.029
  282    HA   TYR  37           HA       TYR  37   1.495  -1.179  -0.991
  283   1HB   TYR  37          HB2       TYR  37   3.072   0.495   0.916
  284   2HB   TYR  37          HB1       TYR  37   3.350  -1.248   0.894
  285    HD1  TYR  37           HD1      TYR  37   3.858  -2.336  -1.361
  286    HD2  TYR  37           HD2      TYR  37   4.052   1.867  -0.735
  287    HE1  TYR  37           HE1      TYR  37   5.245  -2.109  -3.375
  288    HE2  TYR  37           HE2      TYR  37   5.449   2.101  -2.746
  289    HH   TYR  37           HH       TYR  37   5.821  -0.379  -5.023
  290    H    VAL  38           HN       VAL  38   1.272  -3.157  -0.010
  291    HA   VAL  38           HA       VAL  38  -0.463  -3.135   2.356
  292    HB   VAL  38           HB       VAL  38  -0.895  -4.502  -0.278
  293   1HG1  VAL  38          HG11      VAL  38  -2.174  -5.301   2.322
  294   2HG1  VAL  38          HG12      VAL  38  -1.012  -6.254   1.397
  295   3HG1  VAL  38          HG13      VAL  38  -2.602  -5.903   0.718
  296   1HG2  VAL  38          HG21      VAL  38  -3.156  -3.622  -0.021
  297   2HG2  VAL  38          HG22      VAL  38  -1.946  -2.340   0.061
  298   3HG2  VAL  38          HG23      VAL  38  -2.710  -2.930   1.539
  299    H    ARG  39           HN       ARG  39  -0.493  -5.047   3.556
  300    HA   ARG  39           HA       ARG  39   1.052  -6.275   4.890
  301   1HB   ARG  39          HB2       ARG  39  -0.155  -7.974   2.723
  302   2HB   ARG  39          HB1       ARG  39   0.595  -8.624   4.175
  303   1HG   ARG  39          HG2       ARG  39  -1.733  -6.716   4.187
  304   2HG   ARG  39          HG1       ARG  39  -1.882  -8.472   4.279
  305   1HD   ARG  39          HD2       ARG  39  -0.749  -8.546   6.363
  306   2HD   ARG  39          HD1       ARG  39  -0.244  -6.863   6.223
  307    HE   ARG  39           HE       ARG  39  -3.103  -7.271   6.270
  308   1HH1  ARG  39          HH11      ARG  39  -0.225  -6.698   8.149
  309   2HH1  ARG  39          HH12      ARG  39  -1.081  -6.015   9.491
  310   1HH2  ARG  39          HH21      ARG  39  -4.238  -6.371   8.033
  311   2HH2  ARG  39          HH22      ARG  39  -3.361  -5.832   9.426
  312    H    SER  40           HN       SER  40   3.186  -6.046   4.941
  313    HA   SER  40           HA       SER  40   4.917  -7.860   3.820
  314   1HB   SER  40          HB2       SER  40   4.344  -6.821   1.645
  315   2HB   SER  40          HB1       SER  40   4.953  -5.278   2.243
  316    HG   SER  40           HG       SER  40   6.609  -7.536   2.355
  317    H    HIS  41           HN       HIS  41   4.292  -4.823   5.277
  318    HA   HIS  41           HA       HIS  41   6.797  -3.774   5.737
  319   1HB   HIS  41          HB2       HIS  41   5.759  -3.002   7.988
  320   2HB   HIS  41          HB1       HIS  41   5.072  -2.423   6.477
  321    HD1  HIS  41           HD1      HIS  41   2.657  -3.020   5.990
  322    HD2  HIS  41           HD2      HIS  41   4.169  -4.956   9.341
  323    HE1  HIS  41           HE1      HIS  41   0.673  -4.099   7.094
  324    HE2  HIS  41           HE2      HIS  41   1.622  -5.325   9.081
  325    H    SER  42           HN       SER  42   8.549  -4.547   6.600
  326    HA   SER  42           HA       SER  42   8.540  -5.969   9.094
  327   1HB   SER  42          HB2       SER  42   9.440  -7.391   6.575
  328   2HB   SER  42          HB1       SER  42   9.726  -7.971   8.216
  329    HG   SER  42           HG       SER  42   7.819  -8.822   7.065
  330    H    THR  43           HN       THR  43   9.936  -4.113   6.689
  331    HA   THR  43           HA       THR  43  12.216  -3.469   8.292
  332    HB   THR  43           HB       THR  43  13.119  -4.371   5.619
  333    HG1  THR  43           HG1      THR  43  13.402  -6.546   6.541
  334   1HG2  THR  43          HG21      THR  43  14.278  -4.591   8.400
  335   2HG2  THR  43          HG22      THR  43  14.655  -3.342   7.212
  336   3HG2  THR  43          HG23      THR  43  15.111  -5.019   6.905
  337    H    GLN  44           HN       GLN  44  13.838  -2.280   6.418
  338    HA   GLN  44           HA       GLN  44  12.830  -0.876   4.313
  339   1HB   GLN  44          HB2       GLN  44  12.203   1.329   5.305
  340   2HB   GLN  44          HB1       GLN  44  11.066   0.038   5.674
  341   1HG   GLN  44          HG2       GLN  44  12.166  -0.223   7.883
  342   2HG   GLN  44          HG1       GLN  44  13.162   1.181   7.505
  343   1HE2  GLN  44          HE21      GLN  44  12.217   3.222   7.436
  344   2HE2  GLN  44          HE22      GLN  44  10.666   3.539   8.129
  345    H    THR  45           HN       THR  45  15.260  -1.679   4.528
  346    HA   THR  45           HA       THR  45  16.845   0.736   4.747
  347    HB   THR  45           HB       THR  45  18.576  -0.348   6.185
  348    HG1  THR  45           HG1      THR  45  17.352  -2.092   7.551
  349   1HG2  THR  45          HG21      THR  45  17.437   0.066   8.297
  350   2HG2  THR  45          HG22      THR  45  15.870  -0.034   7.490
  351   3HG2  THR  45          HG23      THR  45  16.979   1.284   7.106
  352    H    LEU  46           HN       LEU  46  18.731   0.692   3.594
  353    HA   LEU  46           HA       LEU  46  19.228  -1.734   1.988
  354   1HB   LEU  46          HB2       LEU  46  19.110   1.136   1.222
  355   2HB   LEU  46          HB1       LEU  46  20.350   0.160   0.456
  356    HG   LEU  46           HG       LEU  46  18.594  -1.397  -0.342
  357   1HD1  LEU  46          HD11      LEU  46  16.244  -0.677  -0.225
  358   2HD1  LEU  46          HD12      LEU  46  16.720   0.636   0.853
  359   3HD1  LEU  46          HD13      LEU  46  16.923  -1.041   1.361
  360   1HD2  LEU  46          HD21      LEU  46  17.668   0.091  -2.052
  361   2HD2  LEU  46          HD22      LEU  46  19.384   0.397  -1.791
  362   3HD2  LEU  46          HD23      LEU  46  18.180   1.490  -1.109
  363    H    THR  47           HN       THR  47  21.046  -2.690   2.607
  364    HA   THR  47           HA       THR  47  23.267  -1.009   3.591
  365    HB   THR  47           HB       THR  47  22.813  -3.915   4.287
  366    HG1  THR  47           HG1      THR  47  22.288  -1.717   6.008
  367   1HG2  THR  47          HG21      THR  47  25.117  -3.100   4.513
  368   2HG2  THR  47          HG22      THR  47  24.404  -3.473   6.081
  369   3HG2  THR  47          HG23      THR  47  24.552  -1.796   5.556
  370    H    CYS  48           HN       CYS  48  25.335  -1.397   2.804
  371    HA   CYS  48           HA       CYS  48  25.448  -2.860   0.326
  372   1HB   CYS  48          HB2       CYS  48  26.666  -0.725   0.553
  373   2HB   CYS  48          HB1       CYS  48  27.643  -1.417   1.843
  374    H    ASN  49           HN       ASN  49  25.746  -4.942   0.268
  375    HA   ASN  49           HA       ASN  49  27.030  -6.306   2.505
  376   1HB   ASN  49          HB2       ASN  49  26.100  -8.330   1.617
  377   2HB   ASN  49          HB1       ASN  49  24.841  -7.105   1.493
  378   1HD2  ASN  49          HD21      ASN  49  24.926  -9.485   0.011
  379   2HD2  ASN  49          HD22      ASN  49  25.102  -9.074  -1.658
  380    H    SER  50           HN       SER  50  28.390  -8.347   1.615
  381    HA   SER  50           HA       SER  50  30.561  -7.159   0.088
  382   1HB   SER  50          HB2       SER  50  31.134  -8.491   2.053
  383   2HB   SER  50          HB1       SER  50  30.304  -9.894   1.375
  384    HG   SER  50           HG       SER  50  31.901 -10.185  -0.036
  385    H    ASP  51           HN       ASP  51  28.793  -7.028  -1.588
  386    HA   ASP  51           HA       ASP  51  29.219  -9.043  -3.668
  387   1HB   ASP  51          HB2       ASP  51  26.498  -8.293  -2.609
  388   2HB   ASP  51          HB1       ASP  51  26.794  -9.194  -4.093
  389    H    GLY  52           HN       GLY  52  29.182  -5.969  -2.658
  390   1HA   GLY  52          HA2       GLY  52  29.029  -3.926  -3.680
  391   2HA   GLY  52          HA1       GLY  52  29.353  -4.805  -5.166
  392    H    GLU  53           HN       GLU  53  26.660  -5.795  -3.444
  393    HA   GLU  53           HA       GLU  53  24.825  -4.147  -5.062
  394   1HB   GLU  53          HB2       GLU  53  23.450  -5.987  -5.510
  395   2HB   GLU  53          HB1       GLU  53  25.072  -6.636  -5.705
  396   1HG   GLU  53          HG2       GLU  53  24.958  -7.590  -3.456
  397   2HG   GLU  53          HG1       GLU  53  23.334  -6.934  -3.265
  398    H    TRP  54           HN       TRP  54  22.716  -3.773  -4.098
  399    HA   TRP  54           HA       TRP  54  22.905  -3.549  -1.221
  400   1HB   TRP  54          HB2       TRP  54  20.823  -2.533  -3.173
  401   2HB   TRP  54          HB1       TRP  54  20.877  -2.156  -1.456
  402    HD1  TRP  54           HD1      TRP  54  22.285  -1.068  -4.758
  403    HE1  TRP  54           HE1      TRP  54  23.936   0.877  -4.402
  404    HE3  TRP  54           HE3      TRP  54  22.690  -1.269   0.326
  405    HZ2  TRP  54           HZ2      TRP  54  25.237   2.159  -2.248
  406    HZ3  TRP  54           HZ3      TRP  54  24.156   0.350   1.462
  407    HH2  TRP  54           HH2      TRP  54  25.403   2.027   0.199
  408    H    VAL  55           HN       VAL  55  22.255  -5.119  -0.018
  409    HA   VAL  55           HA       VAL  55  20.336  -7.121  -1.001
  410    HB   VAL  55           HB       VAL  55  22.658  -7.155   0.868
  411   1HG1  VAL  55          HG11      VAL  55  21.877  -9.153   2.000
  412   2HG1  VAL  55          HG12      VAL  55  20.328  -9.038   1.166
  413   3HG1  VAL  55          HG13      VAL  55  20.805  -7.791   2.319
  414   1HG2  VAL  55          HG21      VAL  55  22.700  -8.056  -1.464
  415   2HG2  VAL  55          HG22      VAL  55  21.567  -9.301  -0.932
  416   3HG2  VAL  55          HG23      VAL  55  23.178  -9.203  -0.212
  417    H    TYR  56           HN       TYR  56  18.543  -7.671   0.232
  418    HA   TYR  56           HA       TYR  56  18.039  -6.975   2.807
  419   1HB   TYR  56          HB2       TYR  56  16.532  -4.967   2.605
  420   2HB   TYR  56          HB1       TYR  56  18.226  -4.632   2.265
  421    HD1  TYR  56           HD1      TYR  56  18.934  -3.920   0.089
  422    HD2  TYR  56           HD2      TYR  56  14.892  -5.062   0.759
  423    HE1  TYR  56           HE1      TYR  56  18.311  -2.968  -2.091
  424    HE2  TYR  56           HE2      TYR  56  14.258  -4.115  -1.416
  425    HH   TYR  56           HH       TYR  56  16.516  -3.241  -3.774
  426    H    ASN  57           HN       ASN  57  15.536  -6.820   3.305
  427    HA   ASN  57           HA       ASN  57  14.277  -8.860   1.630
  428   1HB   ASN  57          HB2       ASN  57  13.554  -7.836   4.382
  429   2HB   ASN  57          HB1       ASN  57  12.698  -9.116   3.527
  430   1HD2  ASN  57          HD21      ASN  57  15.651  -8.219   5.135
  431   2HD2  ASN  57          HD22      ASN  57  16.257  -9.823   5.345
  432    H    THR  58           HN       THR  58  11.773  -8.675   1.623
  433    HA   THR  58           HA       THR  58  11.137  -6.071   0.458
  434    HB   THR  58           HB       THR  58   9.472  -8.597   0.404
  435    HG1  THR  58           HG1      THR  58  10.435  -8.254  -1.954
  436   1HG2  THR  58          HG21      THR  58   8.208  -6.552  -0.029
  437   2HG2  THR  58          HG22      THR  58   8.368  -7.509  -1.502
  438   3HG2  THR  58          HG23      THR  58   9.375  -6.079  -1.265
  439    H    PHE  59           HN       PHE  59  10.104  -4.616   1.643
  440    HA   PHE  59           HA       PHE  59   8.544  -5.555   3.948
  441   1HB   PHE  59          HB2       PHE  59   8.844  -3.089   4.678
  442   2HB   PHE  59          HB1       PHE  59  10.214  -4.187   4.810
  443    HD1  PHE  59           HD1      PHE  59   8.964  -1.155   3.360
  444    HD2  PHE  59           HD2      PHE  59  11.994  -4.126   3.035
  445    HE1  PHE  59           HE1      PHE  59  10.325   0.385   2.008
  446    HE2  PHE  59           HE2      PHE  59  13.359  -2.591   1.681
  447    HZ   PHE  59           HZ       PHE  59  12.526  -0.333   1.167
  448    H    CYS  60           HN       CYS  60   8.025  -4.605   0.879
  449    HA   CYS  60           HA       CYS  60   5.300  -3.819   1.465
  450   1HB   CYS  60          HB2       CYS  60   7.067  -1.990  -0.171
  451   2HB   CYS  60          HB1       CYS  60   5.359  -1.759   0.179
  452    H    ILE  61           HN       ILE  61   3.870  -4.281  -0.218
  453    HA   ILE  61           HA       ILE  61   5.086  -5.409  -2.648
  454    HB   ILE  61           HB       ILE  61   3.608  -7.251  -2.686
  455   1HG1  ILE  61          HG12      ILE  61   2.196  -5.935  -0.353
  456   2HG1  ILE  61          HG11      ILE  61   1.551  -6.195  -1.970
  457   1HG2  ILE  61          HG21      ILE  61   5.517  -7.516  -1.208
  458   2HG2  ILE  61          HG22      ILE  61   4.124  -8.405  -0.588
  459   3HG2  ILE  61          HG23      ILE  61   4.579  -6.863   0.135
  460   1HD1  ILE  61          HD11      ILE  61   1.564  -8.589  -1.615
  461   2HD1  ILE  61          HD12      ILE  61   0.645  -7.773  -0.350
  462   3HD1  ILE  61          HD13      ILE  61   2.273  -8.362  -0.015
  463    H    TYR  62           HN       TYR  62   2.319  -3.813  -1.214
  464    HA   TYR  62           HA       TYR  62   0.731  -2.396  -2.147
  465   1HB   TYR  62          HB2       TYR  62   2.942  -1.927  -3.631
  466   2HB   TYR  62          HB1       TYR  62   1.833  -2.498  -4.875
  467    HD1  TYR  62           HD1      TYR  62   3.072   0.309  -3.380
  468    HD2  TYR  62           HD2      TYR  62  -0.660  -1.376  -4.513
  469    HE1  TYR  62           HE1      TYR  62   2.099   2.556  -3.428
  470    HE2  TYR  62           HE2      TYR  62  -1.665   0.868  -4.570
  471    HH   TYR  62           HH       TYR  62   0.313   3.764  -3.936
  472    H    LYS  63           HN       LYS  63  -1.169  -3.252  -2.308
  473    HA   LYS  63           HA       LYS  63  -2.079  -4.446  -4.713
  474   1HB   LYS  63          HB2       LYS  63  -2.878  -6.584  -3.565
  475   2HB   LYS  63          HB1       LYS  63  -1.181  -6.496  -4.010
  476   1HG   LYS  63          HG2       LYS  63  -0.507  -6.700  -1.901
  477   2HG   LYS  63          HG1       LYS  63  -1.692  -5.533  -1.315
  478   1HD   LYS  63          HD2       LYS  63  -3.280  -7.137  -0.912
  479   2HD   LYS  63          HD1       LYS  63  -2.651  -8.217  -2.152
  480   1HE   LYS  63          HE2       LYS  63  -0.731  -8.718  -0.759
  481   2HE   LYS  63          HE1       LYS  63  -1.355  -7.655   0.493
  482   1HZ   LYS  63          HZ1       LYS  63  -3.295  -9.084   0.690
  483   2HZ   LYS  63          HZ2       LYS  63  -1.876  -9.962   0.965
  484   3HZ   LYS  63          HZ3       LYS  63  -2.689 -10.109  -0.511
  485    H    ARG  64           HN       ARG  64  -3.609  -2.832  -4.654
  486    HA   ARG  64           HA       ARG  64  -5.316  -2.562  -2.327
  487   1HB   ARG  64          HB2       ARG  64  -6.347  -0.707  -3.546
  488   2HB   ARG  64          HB1       ARG  64  -4.599  -0.541  -3.484
  489   1HG   ARG  64          HG2       ARG  64  -5.790  -1.865  -5.857
  490   2HG   ARG  64          HG1       ARG  64  -5.961  -0.116  -5.696
  491   1HD   ARG  64          HD2       ARG  64  -3.479  -0.008  -5.338
  492   2HD   ARG  64          HD1       ARG  64  -3.411  -1.714  -5.778
  493    HE   ARG  64           HE       ARG  64  -4.659   0.138  -7.661
  494   1HH1  ARG  64          HH11      ARG  64  -1.930  -1.851  -6.791
  495   2HH1  ARG  64          HH12      ARG  64  -1.257  -1.852  -8.387
  496   1HH2  ARG  64          HH21      ARG  64  -3.775   0.140  -9.767
  497   2HH2  ARG  64          HH22      ARG  64  -2.305  -0.721 -10.077
  498    H    CYS  65           HN       CYS  65  -7.693  -1.821  -3.822
  499    HA   CYS  65           HA       CYS  65  -8.500  -4.368  -5.031
  500   1HB   CYS  65          HB2       CYS  65 -10.717  -3.362  -3.587
  501   2HB   CYS  65          HB1       CYS  65  -9.843  -4.863  -3.309
  502    H    ARG  66           HN       ARG  66 -10.260  -4.187  -6.522
  503    HA   ARG  66           HA       ARG  66 -10.257  -1.749  -7.938
  504   1HB   ARG  66          HB2       ARG  66 -10.658  -3.871  -9.086
  505   2HB   ARG  66          HB1       ARG  66 -12.139  -4.111  -8.170
  506   1HG   ARG  66          HG2       ARG  66 -12.672  -3.365 -10.394
  507   2HG   ARG  66          HG1       ARG  66 -13.092  -2.103  -9.234
  508   1HD   ARG  66          HD2       ARG  66 -10.943  -0.980  -9.746
  509   2HD   ARG  66          HD1       ARG  66 -10.638  -2.199 -10.983
  510    HE   ARG  66           HE       ARG  66 -13.139  -0.787 -11.269
  511   1HH1  ARG  66          HH11      ARG  66  -9.754  -0.881 -12.086
  512   2HH1  ARG  66          HH12      ARG  66  -9.935   0.108 -13.497
  513   1HH2  ARG  66          HH21      ARG  66 -13.388   0.518 -13.122
  514   2HH2  ARG  66          HH22      ARG  66 -12.000   0.903 -14.086
  515    H    HIS  67           HN       HIS  67 -11.773  -0.135  -8.095
  516    HA   HIS  67           HA       HIS  67 -13.095   0.676  -5.822
  517   1HB   HIS  67          HB2       HIS  67 -13.856   1.354  -8.669
  518   2HB   HIS  67          HB1       HIS  67 -14.223   2.297  -7.234
  519    HD1  HIS  67           HD1      HIS  67 -11.875   2.134  -9.916
  520    HD2  HIS  67           HD2      HIS  67 -11.686   3.193  -5.902
  521    HE1  HIS  67           HE1      HIS  67  -9.782   3.510  -9.681
  522    HE2  HIS  67           HE2      HIS  67  -9.670   4.112  -7.237
  523    HA   PRO  68           HA       PRO  68 -16.691  -1.992  -5.561
  524   1HB   PRO  68          HB2       PRO  68 -18.251  -0.287  -4.098
  525   2HB   PRO  68          HB1       PRO  68 -17.014  -1.334  -3.403
  526   1HG   PRO  68          HG2       PRO  68 -16.884   1.577  -4.057
  527   2HG   PRO  68          HG1       PRO  68 -16.220   0.706  -2.662
  528   1HD   PRO  68          HD2       PRO  68 -14.666   1.476  -4.721
  529   2HD   PRO  68          HD1       PRO  68 -14.370  -0.035  -3.837
  530    H    GLY  69           HN       GLY  69 -16.815   1.362  -6.588
  531   1HA   GLY  69          HA2       GLY  69 -17.854   1.809  -8.749
  532   2HA   GLY  69          HA1       GLY  69 -19.099   0.646  -8.316
  533    H    GLU  70           HN       GLU  70 -20.258   2.660  -9.084
  534    HA   GLU  70           HA       GLU  70 -20.541   4.777  -7.121
  535   1HB   GLU  70          HB2       GLU  70 -20.638   5.298  -9.553
  536   2HB   GLU  70          HB1       GLU  70 -22.075   4.295  -9.685
  537   1HG   GLU  70          HG2       GLU  70 -23.270   5.790  -8.181
  538   2HG   GLU  70          HG1       GLU  70 -21.826   6.788  -8.019
  539    H    LEU  71           HN       LEU  71 -22.027   4.975  -5.632
  540    HA   LEU  71           HA       LEU  71 -23.884   2.751  -5.266
  541   1HB   LEU  71          HB2       LEU  71 -22.323   4.055  -3.490
  542   2HB   LEU  71          HB1       LEU  71 -23.782   5.012  -3.341
  543    HG   LEU  71           HG       LEU  71 -23.447   2.074  -2.756
  544   1HD1  LEU  71          HD11      LEU  71 -22.701   3.598  -1.014
  545   2HD1  LEU  71          HD12      LEU  71 -24.152   2.726  -0.519
  546   3HD1  LEU  71          HD13      LEU  71 -24.267   4.408  -1.040
  547   1HD2  LEU  71          HD21      LEU  71 -25.558   2.167  -3.792
  548   2HD2  LEU  71          HD22      LEU  71 -25.957   3.701  -3.018
  549   3HD2  LEU  71          HD23      LEU  71 -25.878   2.224  -2.057
  550    H    ARG  72           HN       ARG  72 -25.587   3.111  -6.683
  551    HA   ARG  72           HA       ARG  72 -26.721   5.693  -7.073
  552   1HB   ARG  72          HB2       ARG  72 -27.125   3.962  -8.762
  553   2HB   ARG  72          HB1       ARG  72 -27.882   2.925  -7.559
  554   1HG   ARG  72          HG2       ARG  72 -29.698   4.564  -7.317
  555   2HG   ARG  72          HG1       ARG  72 -28.954   5.549  -8.581
  556   1HD   ARG  72          HD2       ARG  72 -29.984   2.730  -8.886
  557   2HD   ARG  72          HD1       ARG  72 -30.757   4.194  -9.493
  558    HE   ARG  72           HE       ARG  72 -28.189   4.115 -10.552
  559   1HH1  ARG  72          HH11      ARG  72 -31.131   2.257 -10.714
  560   2HH1  ARG  72          HH12      ARG  72 -30.836   1.689 -12.324
  561   1HH2  ARG  72          HH21      ARG  72 -27.793   3.372 -12.674
  562   2HH2  ARG  72          HH22      ARG  72 -28.940   2.323 -13.436
  563    H    ASN  73           HN       ASN  73 -27.987   6.834  -5.915
  564    HA   ASN  73           HA       ASN  73 -29.158   7.555  -4.095
  565   1HB   ASN  73          HB2       ASN  73 -30.149   4.681  -4.062
  566   2HB   ASN  73          HB1       ASN  73 -30.856   6.005  -3.142
  567   1HD2  ASN  73          HD21      ASN  73 -32.069   4.293  -5.146
  568   2HD2  ASN  73          HD22      ASN  73 -32.653   5.340  -6.390
  569    H    GLY  74           HN       GLY  74 -26.544   7.058  -3.691
  570   1HA   GLY  74          HA2       GLY  74 -26.421   6.487  -0.943
  571   2HA   GLY  74          HA1       GLY  74 -25.820   5.109  -1.848
  572    H    GLN  75           HN       GLN  75 -24.029   6.052  -0.261
  573    HA   GLN  75           HA       GLN  75 -22.211   7.582  -1.987
  574   1HB   GLN  75          HB2       GLN  75 -22.726   8.063   0.950
  575   2HB   GLN  75          HB1       GLN  75 -21.339   8.713   0.089
  576   1HG   GLN  75          HG2       GLN  75 -24.200   9.260  -0.656
  577   2HG   GLN  75          HG1       GLN  75 -23.215  10.310   0.360
  578   1HE2  GLN  75          HE21      GLN  75 -21.532  11.477  -0.558
  579   2HE2  GLN  75          HE22      GLN  75 -21.392  11.704  -2.265
  580    H    VAL  76           HN       VAL  76 -20.175   6.821  -2.073
  581    HA   VAL  76           HA       VAL  76 -19.592   4.491  -0.381
  582    HB   VAL  76           HB       VAL  76 -19.457   3.555  -2.423
  583   1HG1  VAL  76          HG11      VAL  76 -20.049   5.464  -3.696
  584   2HG1  VAL  76          HG12      VAL  76 -18.645   4.705  -4.446
  585   3HG1  VAL  76          HG13      VAL  76 -18.448   6.171  -3.484
  586   1HG2  VAL  76          HG21      VAL  76 -17.270   3.316  -1.326
  587   2HG2  VAL  76          HG22      VAL  76 -16.694   4.733  -2.204
  588   3HG2  VAL  76          HG23      VAL  76 -17.147   3.275  -3.086
  589    H    GLU  77           HN       GLU  77 -18.296   5.049   1.277
  590    HA   GLU  77           HA       GLU  77 -16.612   7.338   1.239
  591   1HB   GLU  77          HB2       GLU  77 -17.527   6.535   3.332
  592   2HB   GLU  77          HB1       GLU  77 -16.713   4.988   3.136
  593   1HG   GLU  77          HG2       GLU  77 -15.558   6.381   4.746
  594   2HG   GLU  77          HG1       GLU  77 -14.547   6.092   3.331
  595    H    ILE  78           HN       ILE  78 -14.948   7.398  -0.158
  596    HA   ILE  78           HA       ILE  78 -12.984   5.210  -0.016
  597    HB   ILE  78           HB       ILE  78 -14.001   6.577  -2.499
  598   1HG1  ILE  78          HG12      ILE  78 -15.188   4.564  -1.720
  599   2HG1  ILE  78          HG11      ILE  78 -14.390   4.300  -3.266
  600   1HG2  ILE  78          HG21      ILE  78 -11.588   6.635  -2.625
  601   2HG2  ILE  78          HG22      ILE  78 -12.212   5.417  -3.736
  602   3HG2  ILE  78          HG23      ILE  78 -11.495   4.926  -2.202
  603   1HD1  ILE  78          HD11      ILE  78 -13.396   3.381  -0.580
  604   2HD1  ILE  78          HD12      ILE  78 -12.583   3.122  -2.124
  605   3HD1  ILE  78          HD13      ILE  78 -14.151   2.376  -1.817
  606    H    LYS  79           HN       LYS  79 -11.301   6.063   0.991
  607    HA   LYS  79           HA       LYS  79 -10.240   8.608  -0.008
  608   1HB   LYS  79          HB2       LYS  79  -9.459   8.625   2.610
  609   2HB   LYS  79          HB1       LYS  79 -10.824   9.518   1.959
  610   1HG   LYS  79          HG2       LYS  79 -11.342   8.265   4.022
  611   2HG   LYS  79          HG1       LYS  79 -12.358   7.810   2.661
  612   1HD   LYS  79          HD2       LYS  79 -11.252   5.761   2.418
  613   2HD   LYS  79          HD1       LYS  79  -9.882   6.289   3.399
  614   1HE   LYS  79          HE2       LYS  79 -12.665   5.599   4.304
  615   2HE   LYS  79          HE1       LYS  79 -11.148   4.824   4.749
  616   1HZ   LYS  79          HZ1       LYS  79 -12.000   7.558   5.512
  617   2HZ   LYS  79          HZ2       LYS  79 -10.494   6.881   5.875
  618   3HZ   LYS  79          HZ3       LYS  79 -11.901   6.214   6.535
  619    H    THR  80           HN       THR  80  -9.565   5.584   1.706
  620    HA   THR  80           HA       THR  80  -6.729   5.948   1.608
  621    HB   THR  80           HB       THR  80  -6.575   3.769   2.605
  622    HG1  THR  80           HG1      THR  80  -8.671   2.607   2.894
  623   1HG2  THR  80          HG21      THR  80  -7.171   5.356   4.228
  624   2HG2  THR  80          HG22      THR  80  -8.315   4.036   4.477
  625   3HG2  THR  80          HG23      THR  80  -8.822   5.494   3.619
  626    H    ASP  81           HN       ASP  81  -8.507   5.673  -0.949
  627    HA   ASP  81           HA       ASP  81  -8.174   4.889  -3.080
  628   1HB   ASP  81          HB2       ASP  81  -5.500   4.232  -1.884
  629   2HB   ASP  81          HB1       ASP  81  -5.881   3.971  -3.584
  630    H    LEU  82           HN       LEU  82  -8.705   3.049  -0.585
  631    HA   LEU  82           HA       LEU  82  -9.457   0.920  -0.274
  632   1HB   LEU  82          HB2       LEU  82  -9.041   0.709  -3.240
  633   2HB   LEU  82          HB1       LEU  82  -9.898  -0.464  -2.256
  634    HG   LEU  82           HG       LEU  82 -11.245   1.819  -1.656
  635   1HD1  LEU  82          HD11      LEU  82 -10.200   2.053  -4.462
  636   2HD1  LEU  82          HD12      LEU  82 -10.194   3.264  -3.178
  637   3HD1  LEU  82          HD13      LEU  82 -11.712   2.807  -3.953
  638   1HD2  LEU  82          HD21      LEU  82 -12.961   0.943  -3.131
  639   2HD2  LEU  82          HD22      LEU  82 -12.161  -0.350  -2.234
  640   3HD2  LEU  82          HD23      LEU  82 -11.760  -0.073  -3.929
  641    H    SER  83           HN       SER  83  -7.006   1.216   0.524
  642    HA   SER  83           HA       SER  83  -5.257  -0.743  -0.718
  643   1HB   SER  83          HB2       SER  83  -3.662  -0.121   1.068
  644   2HB   SER  83          HB1       SER  83  -4.262   1.308   0.225
  645    HG   SER  83           HG       SER  83  -5.386   0.339   2.639
  646    H    PHE  84           HN       PHE  84  -5.205  -2.852  -0.129
  647    HA   PHE  84           HA       PHE  84  -7.052  -4.198   1.264
  648   1HB   PHE  84          HB2       PHE  84  -5.359  -5.441   0.134
  649   2HB   PHE  84          HB1       PHE  84  -4.093  -4.776   1.159
  650    HD1  PHE  84           HD1      PHE  84  -6.804  -7.214   0.930
  651    HD2  PHE  84           HD2      PHE  84  -3.724  -5.619   3.393
  652    HE1  PHE  84           HE1      PHE  84  -7.022  -9.139   2.445
  653    HE2  PHE  84           HE2      PHE  84  -3.936  -7.542   4.910
  654    HZ   PHE  84           HZ       PHE  84  -5.587  -9.306   4.438
  655    H    GLY  85           HN       GLY  85  -7.529  -4.812   3.361
  656   1HA   GLY  85          HA2       GLY  85  -7.336  -4.870   5.675
  657   2HA   GLY  85          HA1       GLY  85  -5.825  -3.980   5.549
  658    H    SER  86           HN       SER  86  -8.832  -2.957   4.033
  659    HA   SER  86           HA       SER  86  -9.141  -0.894   6.085
  660   1HB   SER  86          HB2       SER  86  -9.495   0.834   4.344
  661   2HB   SER  86          HB1       SER  86  -7.852   0.185   4.344
  662    HG   SER  86           HG       SER  86  -9.859  -0.046   2.447
  663    H    GLN  87           HN       GLN  87 -11.097   0.236   6.049
  664    HA   GLN  87           HA       GLN  87 -13.332  -1.376   4.998
  665   1HB   GLN  87          HB2       GLN  87 -13.648  -1.687   7.247
  666   2HB   GLN  87          HB1       GLN  87 -12.872  -0.172   7.679
  667   1HG   GLN  87          HG2       GLN  87 -15.458   0.021   6.265
  668   2HG   GLN  87          HG1       GLN  87 -15.492  -0.595   7.918
  669   1HE2  GLN  87          HE21      GLN  87 -14.838   2.130   5.886
  670   2HE2  GLN  87          HE22      GLN  87 -14.715   3.307   7.142
  671    H    ILE  88           HN       ILE  88 -14.911  -0.332   3.881
  672    HA   ILE  88           HA       ILE  88 -14.759   2.606   3.730
  673    HB   ILE  88           HB       ILE  88 -15.397   2.449   1.328
  674   1HG1  ILE  88          HG12      ILE  88 -14.455  -0.409   1.440
  675   2HG1  ILE  88          HG11      ILE  88 -16.161   0.002   1.586
  676   1HG2  ILE  88          HG21      ILE  88 -13.136   1.950   0.536
  677   2HG2  ILE  88          HG22      ILE  88 -12.762   1.197   2.087
  678   3HG2  ILE  88          HG23      ILE  88 -13.112   2.923   2.007
  679   1HD1  ILE  88          HD11      ILE  88 -14.387   0.692  -0.743
  680   2HD1  ILE  88          HD12      ILE  88 -16.104   1.070  -0.597
  681   3HD1  ILE  88          HD13      ILE  88 -15.575  -0.610  -0.694
  682    H    GLU  89           HN       GLU  89 -16.505   3.018   5.011
  683    HA   GLU  89           HA       GLU  89 -18.937   1.606   4.924
  684   1HB   GLU  89          HB2       GLU  89 -18.949   4.468   5.727
  685   2HB   GLU  89          HB1       GLU  89 -19.671   3.075   6.514
  686   1HG   GLU  89          HG2       GLU  89 -17.435   2.367   7.258
  687   2HG   GLU  89          HG1       GLU  89 -16.769   3.834   6.539
  688    H    PHE  90           HN       PHE  90 -21.050   2.896   4.489
  689    HA   PHE  90           HA       PHE  90 -20.804   4.464   2.032
  690   1HB   PHE  90          HB2       PHE  90 -22.629   2.079   2.390
  691   2HB   PHE  90          HB1       PHE  90 -22.700   3.197   1.033
  692    HD1  PHE  90           HD1      PHE  90 -20.966   3.191  -0.695
  693    HD2  PHE  90           HD2      PHE  90 -20.838   0.482   2.604
  694    HE1  PHE  90           HE1      PHE  90 -19.285   1.843  -1.869
  695    HE2  PHE  90           HE2      PHE  90 -19.156  -0.865   1.424
  696    HZ   PHE  90           HZ       PHE  90 -18.376  -0.190  -0.809
  697    H    SER  91           HN       SER  91 -23.415   4.933   1.455
  698    HA   SER  91           HA       SER  91 -24.897   5.637   3.798
  699   1HB   SER  91          HB2       SER  91 -23.567   7.881   2.274
  700   2HB   SER  91          HB1       SER  91 -24.811   8.087   3.506
  701    HG   SER  91           HG       SER  91 -23.294   6.892   4.911
  702    H    CYS  92           HN       CYS  92 -26.861   5.134   3.131
  703    HA   CYS  92           HA       CYS  92 -27.627   5.589   0.366
  704   1HB   CYS  92          HB2       CYS  92 -29.108   4.337   2.688
  705   2HB   CYS  92          HB1       CYS  92 -29.828   4.579   1.101
  706    H    SER  93           HN       SER  93 -28.605   7.340  -0.333
  707    HA   SER  93           HA       SER  93 -28.807   9.704   0.939
  708   1HB   SER  93          HB2       SER  93 -30.604  10.309  -0.739
  709   2HB   SER  93          HB1       SER  93 -29.109   9.650  -1.409
  710    HG   SER  93           HG       SER  93 -30.930   8.669  -2.351
  711    H    GLU  94           HN       GLU  94 -30.572  11.047   1.538
  712    HA   GLU  94           HA       GLU  94 -31.911  10.673   3.777
  713   1HB   GLU  94          HB2       GLU  94 -32.108  12.742   2.650
  714   2HB   GLU  94          HB1       GLU  94 -32.943  11.999   1.292
  715   1HG   GLU  94          HG2       GLU  94 -34.457  13.277   2.707
  716   2HG   GLU  94          HG1       GLU  94 -34.873  11.565   2.676
  717    H    GLY  95           HN       GLY  95 -33.908  10.098   0.896
  718   1HA   GLY  95          HA2       GLY  95 -35.872   8.770   2.466
  719   2HA   GLY  95          HA1       GLY  95 -35.842   8.878   0.717
  720    H    PHE  96           HN       PHE  96 -33.003   7.548   0.932
  721    HA   PHE  96           HA       PHE  96 -34.150   4.829   1.050
  722   1HB   PHE  96          HB2       PHE  96 -31.710   5.700  -0.518
  723   2HB   PHE  96          HB1       PHE  96 -32.509   4.132  -0.577
  724    HD1  PHE  96           HD1      PHE  96 -32.717   7.644  -1.602
  725    HD2  PHE  96           HD2      PHE  96 -34.494   3.788  -1.863
  726    HE1  PHE  96           HE1      PHE  96 -34.100   8.414  -3.486
  727    HE2  PHE  96           HE2      PHE  96 -35.881   4.550  -3.747
  728    HZ   PHE  96           HZ       PHE  96 -35.684   6.865  -4.561
  729    H    PHE  97           HN       PHE  97 -33.408   3.545   2.596
  730    HA   PHE  97           HA       PHE  97 -31.034   4.395   4.073
  731   1HB   PHE  97          HB2       PHE  97 -31.747   2.913   5.841
  732   2HB   PHE  97          HB1       PHE  97 -33.111   3.904   5.346
  733    HD1  PHE  97           HD1      PHE  97 -32.049   0.652   6.098
  734    HD2  PHE  97           HD2      PHE  97 -34.686   2.816   3.555
  735    HE1  PHE  97           HE1      PHE  97 -33.422  -1.369   5.808
  736    HE2  PHE  97           HE2      PHE  97 -36.059   0.796   3.253
  737    HZ   PHE  97           HZ       PHE  97 -35.431  -1.298   4.385
  738    H    LEU  98           HN       LEU  98 -29.665   2.568   4.932
  739    HA   LEU  98           HA       LEU  98 -28.734   1.108   2.604
  740   1HB   LEU  98          HB2       LEU  98 -27.231   2.462   4.080
  741   2HB   LEU  98          HB1       LEU  98 -27.456   1.241   5.320
  742    HG   LEU  98           HG       LEU  98 -26.488   0.427   2.608
  743   1HD1  LEU  98          HD11      LEU  98 -24.754   1.537   4.804
  744   2HD1  LEU  98          HD12      LEU  98 -25.088   2.313   3.256
  745   3HD1  LEU  98          HD13      LEU  98 -24.192   0.794   3.306
  746   1HD2  LEU  98          HD21      LEU  98 -27.079  -1.322   4.154
  747   2HD2  LEU  98          HD22      LEU  98 -26.066  -0.606   5.405
  748   3HD2  LEU  98          HD23      LEU  98 -25.327  -1.286   3.956
  749    H    ILE  99           HN       ILE  99 -28.563  -1.016   2.392
  750    HA   ILE  99           HA       ILE  99 -29.103  -2.902   4.528
  751    HB   ILE  99           HB       ILE  99 -30.730  -3.424   2.114
  752   1HG1  ILE  99          HG12      ILE  99 -31.939  -1.617   4.168
  753   2HG1  ILE  99          HG11      ILE  99 -31.028  -0.925   2.831
  754   1HG2  ILE  99          HG21      ILE  99 -32.294  -4.307   3.796
  755   2HG2  ILE  99          HG22      ILE  99 -31.216  -3.736   5.071
  756   3HG2  ILE  99          HG23      ILE  99 -30.675  -4.987   3.950
  757   1HD1  ILE  99          HD11      ILE  99 -32.518  -2.054   1.249
  758   2HD1  ILE  99          HD12      ILE  99 -33.378  -0.942   2.316
  759   3HD1  ILE  99          HD13      ILE  99 -33.457  -2.681   2.604
  760    H    GLY 100           HN       GLY 100 -27.409  -4.096   4.266
  761   1HA   GLY 100          HA2       GLY 100 -26.922  -5.992   2.396
  762   2HA   GLY 100          HA1       GLY 100 -26.153  -4.556   1.715
  763    H    SER 101           HN       SER 101 -24.879  -3.314   3.391
  764    HA   SER 101           HA       SER 101 -23.644  -4.411   5.601
  765   1HB   SER 101          HB2       SER 101 -21.524  -5.219   4.765
  766   2HB   SER 101          HB1       SER 101 -22.805  -6.082   3.912
  767    HG   SER 101           HG       SER 101 -21.061  -5.246   2.570
  768    H    THR 102           HN       THR 102 -23.516  -2.360   6.431
  769    HA   THR 102           HA       THR 102 -23.039  -0.069   4.864
  770    HB   THR 102           HB       THR 102 -22.866   1.167   6.933
  771    HG1  THR 102           HG1      THR 102 -23.095  -0.888   8.698
  772   1HG2  THR 102          HG21      THR 102 -24.881  -1.063   7.239
  773   2HG2  THR 102          HG22      THR 102 -25.117   0.421   6.315
  774   3HG2  THR 102          HG23      THR 102 -24.927   0.492   8.068
  775    H    THR 103           HN       THR 103 -20.971  -2.476   5.900
  776    HA   THR 103           HA       THR 103 -18.667  -0.687   5.562
  777    HB   THR 103           HB       THR 103 -17.371  -2.192   6.946
  778    HG1  THR 103           HG1      THR 103 -18.089  -4.152   7.259
  779   1HG2  THR 103          HG21      THR 103 -18.469  -1.754   9.106
  780   2HG2  THR 103          HG22      THR 103 -19.951  -1.339   8.243
  781   3HG2  THR 103          HG23      THR 103 -18.506  -0.349   8.040
  782    H    SER 104           HN       SER 104 -16.843  -1.570   4.440
  783    HA   SER 104           HA       SER 104 -17.232  -4.074   3.033
  784   1HB   SER 104          HB2       SER 104 -16.939  -1.380   1.694
  785   2HB   SER 104          HB1       SER 104 -16.431  -2.867   0.895
  786    HG   SER 104           HG       SER 104 -18.891  -3.158   1.947
  787    H    ARG 105           HN       ARG 105 -15.464  -5.159   3.508
  788    HA   ARG 105           HA       ARG 105 -12.954  -3.711   4.028
  789   1HB   ARG 105          HB2       ARG 105 -13.654  -6.567   4.734
  790   2HB   ARG 105          HB1       ARG 105 -12.237  -5.670   5.260
  791   1HG   ARG 105          HG2       ARG 105 -13.724  -4.102   6.462
  792   2HG   ARG 105          HG1       ARG 105 -15.100  -5.109   6.003
  793   1HD   ARG 105          HD2       ARG 105 -14.434  -5.684   8.236
  794   2HD   ARG 105          HD1       ARG 105 -14.024  -7.019   7.159
  795    HE   ARG 105           HE       ARG 105 -11.805  -5.311   7.412
  796   1HH1  ARG 105          HH11      ARG 105 -13.657  -7.618   9.251
  797   2HH1  ARG 105          HH12      ARG 105 -12.327  -8.077  10.260
  798   1HH2  ARG 105          HH21      ARG 105 -10.046  -5.908   8.734
  799   2HH2  ARG 105          HH22      ARG 105 -10.272  -7.106   9.964
  800    H    CYS 106           HN       CYS 106 -10.966  -4.569   3.253
  801    HA   CYS 106           HA       CYS 106 -11.268  -5.841   0.627
  802   1HB   CYS 106          HB2       CYS 106 -10.221  -3.544   0.803
  803   2HB   CYS 106          HB1       CYS 106  -8.877  -4.308   1.644
  804    H    GLU 107           HN       GLU 107 -10.742  -7.894   0.503
  805    HA   GLU 107           HA       GLU 107  -8.717  -8.955   2.358
  806   1HB   GLU 107          HB2       GLU 107 -11.113  -9.733   2.653
  807   2HB   GLU 107          HB1       GLU 107 -10.963 -10.523   1.088
  808   1HG   GLU 107          HG2       GLU 107 -10.618 -12.071   2.948
  809   2HG   GLU 107          HG1       GLU 107  -9.194 -11.936   1.918
  810    H    VAL 108           HN       VAL 108  -7.880 -11.178   1.348
  811    HA   VAL 108           HA       VAL 108  -7.434 -10.774  -1.526
  812    HB   VAL 108           HB       VAL 108  -5.286 -11.045   0.551
  813   1HG1  VAL 108          HG11      VAL 108  -3.680 -11.575  -1.094
  814   2HG1  VAL 108          HG12      VAL 108  -4.812 -11.270  -2.411
  815   3HG1  VAL 108          HG13      VAL 108  -5.018 -12.690  -1.382
  816   1HG2  VAL 108          HG21      VAL 108  -6.072  -8.801  -0.074
  817   2HG2  VAL 108          HG22      VAL 108  -5.661  -9.146  -1.755
  818   3HG2  VAL 108          HG23      VAL 108  -4.390  -9.077  -0.530
  819    H    GLN 109           HN       GLN 109  -7.626 -12.472  -2.699
  820    HA   GLN 109           HA       GLN 109  -7.590 -15.118  -1.451
  821   1HB   GLN 109          HB2       GLN 109  -8.432 -14.632  -4.287
  822   2HB   GLN 109          HB1       GLN 109  -8.982 -15.868  -3.165
  823   1HG   GLN 109          HG2       GLN 109  -9.676 -12.940  -3.063
  824   2HG   GLN 109          HG1       GLN 109 -10.728 -14.245  -3.606
  825   1HE2  GLN 109          HE21      GLN 109 -11.256 -12.365  -1.519
  826   2HE2  GLN 109          HE22      GLN 109 -11.442 -13.264  -0.055
  827    H    ASP 110           HN       ASP 110  -5.483 -15.742  -1.376
  828    HA   ASP 110           HA       ASP 110  -3.496 -16.575  -2.088
  829   1HB   ASP 110          HB2       ASP 110  -4.667 -17.901  -3.686
  830   2HB   ASP 110          HB1       ASP 110  -4.932 -16.515  -4.731
  831    H    ARG 111           HN       ARG 111  -3.952 -14.895  -5.105
  832    HA   ARG 111           HA       ARG 111  -2.092 -12.809  -4.246
  833   1HB   ARG 111          HB2       ARG 111  -1.984 -14.327  -6.833
  834   2HB   ARG 111          HB1       ARG 111  -1.011 -12.912  -6.474
  835   1HG   ARG 111          HG2       ARG 111  -0.028 -14.157  -4.557
  836   2HG   ARG 111          HG1       ARG 111  -0.907 -15.588  -5.101
  837   1HD   ARG 111          HD2       ARG 111   1.359 -15.673  -5.926
  838   2HD   ARG 111          HD1       ARG 111   0.248 -15.437  -7.274
  839    HE   ARG 111           HE       ARG 111   1.091 -12.920  -6.449
  840   1HH1  ARG 111          HH11      ARG 111   2.470 -15.807  -7.828
  841   2HH1  ARG 111          HH12      ARG 111   3.740 -14.963  -8.650
  842   1HH2  ARG 111          HH21      ARG 111   2.760 -11.801  -7.524
  843   2HH2  ARG 111          HH22      ARG 111   3.905 -12.685  -8.476
  844    H    GLY 112           HN       GLY 112  -5.057 -13.515  -5.396
  845   1HA   GLY 112          HA2       GLY 112  -5.269 -10.976  -6.877
  846   2HA   GLY 112          HA1       GLY 112  -6.337 -12.353  -7.116
  847    H    VAL 113           HN       VAL 113  -5.675  -9.543  -5.311
  848    HA   VAL 113           HA       VAL 113  -6.934  -9.731  -2.948
  849    HB   VAL 113           HB       VAL 113  -7.905  -7.395  -4.440
  850   1HG1  VAL 113          HG11      VAL 113  -6.136  -7.596  -2.019
  851   2HG1  VAL 113          HG12      VAL 113  -7.898  -7.616  -1.975
  852   3HG1  VAL 113          HG13      VAL 113  -7.047  -6.187  -2.562
  853   1HG2  VAL 113          HG21      VAL 113  -5.927  -7.725  -5.722
  854   2HG2  VAL 113          HG22      VAL 113  -4.967  -8.029  -4.269
  855   3HG2  VAL 113          HG23      VAL 113  -5.612  -6.414  -4.584
  856    H    GLY 114           HN       GLY 114  -9.053  -9.859  -2.138
  857   1HA   GLY 114          HA2       GLY 114 -11.082 -10.218  -4.220
  858   2HA   GLY 114          HA1       GLY 114 -11.012 -11.176  -2.747
  859    H    TRP 115           HN       TRP 115 -13.006  -9.192  -3.938
  860    HA   TRP 115           HA       TRP 115 -13.152  -7.282  -1.740
  861   1HB   TRP 115          HB2       TRP 115 -13.910  -7.187  -4.506
  862   2HB   TRP 115          HB1       TRP 115 -15.338  -6.926  -3.513
  863    HD1  TRP 115           HD1      TRP 115 -13.024  -4.911  -5.248
  864    HE1  TRP 115           HE1      TRP 115 -12.642  -2.619  -4.132
  865    HE3  TRP 115           HE3      TRP 115 -14.921  -5.922  -0.606
  866    HZ2  TRP 115           HZ2      TRP 115 -13.071  -1.410  -1.636
  867    HZ3  TRP 115           HZ3      TRP 115 -14.893  -4.136   1.088
  868    HH2  TRP 115           HH2      TRP 115 -13.986  -1.929   0.581
  869    H    SER 116           HN       SER 116 -13.970  -8.343  -0.004
  870    HA   SER 116           HA       SER 116 -15.674 -10.462   0.115
  871   1HB   SER 116          HB2       SER 116 -16.355  -9.654   2.356
  872   2HB   SER 116          HB1       SER 116 -14.615  -9.522   2.104
  873    HG   SER 116           HG       SER 116 -15.082  -7.570   2.852
  874    H    HIS 117           HN       HIS 117 -16.758  -7.064   0.380
  875    HA   HIS 117           HA       HIS 117 -19.138  -7.699  -1.167
  876   1HB   HIS 117          HB2       HIS 117 -19.235  -6.717   1.687
  877   2HB   HIS 117          HB1       HIS 117 -20.594  -6.574   0.577
  878    HD1  HIS 117           HD1      HIS 117 -21.191  -9.089  -0.566
  879    HD2  HIS 117           HD2      HIS 117 -19.418  -8.945   3.188
  880    HE1  HIS 117           HE1      HIS 117 -21.676 -11.318   0.491
  881    HE2  HIS 117           HE2      HIS 117 -20.694 -11.162   2.806
  882    HA   PRO 118           HA       PRO 118 -18.194  -3.482  -2.337
  883   1HB   PRO 118          HB2       PRO 118 -19.508  -3.455  -4.631
  884   2HB   PRO 118          HB1       PRO 118 -18.120  -4.531  -4.424
  885   1HG   PRO 118          HG2       PRO 118 -21.037  -5.155  -4.366
  886   2HG   PRO 118          HG1       PRO 118 -19.700  -6.114  -5.026
  887   1HD   PRO 118          HD2       PRO 118 -20.906  -6.436  -2.498
  888   2HD   PRO 118          HD1       PRO 118 -19.386  -7.175  -3.040
  889    H    LEU 119           HN       LEU 119 -20.339  -2.333  -4.037
  890    HA   LEU 119           HA       LEU 119 -21.621  -0.692  -2.265
  891   1HB   LEU 119          HB2       LEU 119 -22.790  -1.568  -4.895
  892   2HB   LEU 119          HB1       LEU 119 -23.006  -0.040  -4.077
  893    HG   LEU 119           HG       LEU 119 -20.463  -1.009  -5.366
  894   1HD1  LEU 119          HD11      LEU 119 -22.173  -0.294  -6.944
  895   2HD1  LEU 119          HD12      LEU 119 -20.814   0.828  -6.903
  896   3HD1  LEU 119          HD13      LEU 119 -22.322   1.239  -6.086
  897   1HD2  LEU 119          HD21      LEU 119 -19.553   1.174  -4.789
  898   2HD2  LEU 119          HD22      LEU 119 -19.996   0.266  -3.341
  899   3HD2  LEU 119          HD23      LEU 119 -21.038   1.569  -3.923
  900    HA   PRO 120           HA       PRO 120 -24.881  -3.249  -0.610
  901   1HB   PRO 120          HB2       PRO 120 -26.018  -1.445   0.981
  902   2HB   PRO 120          HB1       PRO 120 -24.375  -2.016   1.298
  903   1HG   PRO 120          HG2       PRO 120 -25.284   0.531   0.015
  904   2HG   PRO 120          HG1       PRO 120 -23.985   0.275   1.193
  905   1HD   PRO 120          HD2       PRO 120 -23.620   0.508  -1.543
  906   2HD   PRO 120          HD1       PRO 120 -22.476  -0.265  -0.429
  907    H    GLN 121           HN       GLN 121 -27.386  -2.573   0.007
  908    HA   GLN 121           HA       GLN 121 -28.548  -1.702  -2.545
  909   1HB   GLN 121          HB2       GLN 121 -29.380  -3.683  -0.467
  910   2HB   GLN 121          HB1       GLN 121 -30.596  -2.938  -1.485
  911   1HG   GLN 121          HG2       GLN 121 -29.465  -3.772  -3.473
  912   2HG   GLN 121          HG1       GLN 121 -28.206  -4.483  -2.464
  913   1HE2  GLN 121          HE21      GLN 121 -31.596  -4.464  -1.621
  914   2HE2  GLN 121          HE22      GLN 121 -31.846  -6.165  -1.785
  915    H    CYS 122           HN       CYS 122 -29.430   0.267  -2.550
  916    HA   CYS 122           HA       CYS 122 -30.341   1.383   0.009
  917   1HB   CYS 122          HB2       CYS 122 -29.723   2.734  -2.625
  918   2HB   CYS 122          HB1       CYS 122 -30.365   3.567  -1.214
  919    H    GLU 123           HN       GLU 123 -32.418   1.096   0.448
  920    HA   GLU 123           HA       GLU 123 -34.416   1.284  -1.730
  921   1HB   GLU 123          HB2       GLU 123 -34.568  -0.339   0.815
  922   2HB   GLU 123          HB1       GLU 123 -35.799  -0.245  -0.436
  923   1HG   GLU 123          HG2       GLU 123 -33.044  -1.409  -0.739
  924   2HG   GLU 123          HG1       GLU 123 -34.551  -2.309  -0.593
  925    H    ILE 124           HN       ILE 124 -36.201   2.429  -1.370
  926    HA   ILE 124           HA       ILE 124 -36.028   4.703   0.243
  927    HB   ILE 124           HB       ILE 124 -37.470   4.297  -1.847
  928   1HG1  ILE 124          HG12      ILE 124 -39.193   5.959  -1.033
  929   2HG1  ILE 124          HG11      ILE 124 -38.490   5.791   0.573
  930   1HG2  ILE 124          HG21      ILE 124 -38.681   2.350  -1.016
  931   2HG2  ILE 124          HG22      ILE 124 -39.791   3.660  -1.426
  932   3HG2  ILE 124          HG23      ILE 124 -39.398   3.333   0.262
  933   1HD1  ILE 124          HD11      ILE 124 -36.345   6.584  -0.295
  934   2HD1  ILE 124          HD12      ILE 124 -37.637   7.761  -0.537
  935   3HD1  ILE 124          HD13      ILE 124 -37.074   6.779  -1.889
  936    H    LEU 125           HN       LEU 125 -37.367   5.382   1.994
  937    HA   LEU 125           HA       LEU 125 -37.611   3.396   4.046
  938   1HB   LEU 125          HB2       LEU 125 -38.363   6.321   3.994
  939   2HB   LEU 125          HB1       LEU 125 -38.412   5.309   5.425
  940    HG   LEU 125           HG       LEU 125 -35.909   5.903   3.842
  941   1HD1  LEU 125          HD11      LEU 125 -35.306   7.388   5.672
  942   2HD1  LEU 125          HD12      LEU 125 -36.859   7.082   6.448
  943   3HD1  LEU 125          HD13      LEU 125 -36.799   7.921   4.898
  944   1HD2  LEU 125          HD21      LEU 125 -36.237   4.675   6.574
  945   2HD2  LEU 125          HD22      LEU 125 -34.731   4.912   5.688
  946   3HD2  LEU 125          HD23      LEU 125 -35.930   3.763   5.096
  947    H    GLU 126           HN       GLU 126 -39.918   4.568   5.370
  948    HA   GLU 126           HA       GLU 126 -41.962   3.014   4.034
  949   1HB   GLU 126          HB2       GLU 126 -41.610   2.904   6.493
  950   2HB   GLU 126          HB1       GLU 126 -42.126   4.581   6.613
  951   1HG   GLU 126          HG2       GLU 126 -43.933   3.105   7.215
  952   2HG   GLU 126          HG1       GLU 126 -44.321   3.961   5.723
  953    H    HIS 127           HN       HIS 127 -41.418   6.402   4.918
  954    HA   HIS 127           HA       HIS 127 -43.832   7.153   3.426
  955   1HB   HIS 127          HB2       HIS 127 -42.138   8.740   5.363
  956   2HB   HIS 127          HB1       HIS 127 -43.541   9.376   4.510
  957    HD1  HIS 127           HD1      HIS 127 -45.880   8.474   5.239
  958    HD2  HIS 127           HD2      HIS 127 -42.703   7.150   7.569
  959    HE1  HIS 127           HE1      HIS 127 -46.924   7.499   7.309
  960    HE2  HIS 127           HE2      HIS 127 -44.982   6.716   8.712
  961    H    HIS 128           HN       HIS 128 -43.703   8.080   1.494
  962    HA   HIS 128           HA       HIS 128 -41.768   9.927   0.675
  963   1HB   HIS 128          HB2       HIS 128 -40.264   7.957   0.715
  964   2HB   HIS 128          HB1       HIS 128 -41.313   7.155  -0.449
  965    HD1  HIS 128           HD1      HIS 128 -40.923   7.655  -2.876
  966    HD2  HIS 128           HD2      HIS 128 -38.907  10.278  -0.361
  967    HE1  HIS 128           HE1      HIS 128 -39.432   9.013  -4.377
  968    HE2  HIS 128           HE2      HIS 128 -38.200  10.575  -2.831
  969    H    HIS 129           HN       HIS 129 -42.833  11.107  -0.756
  970    HA   HIS 129           HA       HIS 129 -44.611   9.750  -2.673
  971   1HB   HIS 129          HB2       HIS 129 -45.089  12.418  -1.326
  972   2HB   HIS 129          HB1       HIS 129 -46.116  11.701  -2.563
  973    HD1  HIS 129           HD1      HIS 129 -45.498  11.728   1.052
  974    HD2  HIS 129           HD2      HIS 129 -47.522   9.342  -1.681
  975    HE1  HIS 129           HE1      HIS 129 -47.038  10.291   2.426
  976    HE2  HIS 129           HE2      HIS 129 -48.335   8.939   0.741
  977    H    HIS 130           HN       HIS 130 -43.695  13.151  -2.306
  978    HA   HIS 130           HA       HIS 130 -41.729  13.225  -4.310
  979   1HB   HIS 130          HB2       HIS 130 -43.562  12.683  -5.836
  980   2HB   HIS 130          HB1       HIS 130 -44.497  14.044  -5.222
  981    HD1  HIS 130           HD1      HIS 130 -41.788  13.170  -7.591
  982    HD2  HIS 130           HD2      HIS 130 -43.571  16.599  -6.065
  983    HE1  HIS 130           HE1      HIS 130 -41.029  15.045  -9.085
  984    HE2  HIS 130           HE2      HIS 130 -42.039  17.123  -8.080
  985    H    HIS 131           HN       HIS 131 -44.535  15.239  -3.413
  986    HA   HIS 131           HA       HIS 131 -42.845  17.574  -3.170
  987   1HB   HIS 131          HB2       HIS 131 -45.045  17.855  -4.148
  988   2HB   HIS 131          HB1       HIS 131 -45.808  17.171  -2.717
  989    HD1  HIS 131           HD1      HIS 131 -44.210  20.297  -3.998
  990    HD2  HIS 131           HD2      HIS 131 -46.064  18.916  -0.545
  991    HE1  HIS 131           HE1      HIS 131 -44.634  22.342  -2.597
  992    HE2  HIS 131           HE2      HIS 131 -45.837  21.492  -0.554
  993    H    HIS 132           HN       HIS 132 -44.953  15.690  -1.004
  994    HA   HIS 132           HA       HIS 132 -43.163  16.039   1.200
  995   1HB   HIS 132          HB2       HIS 132 -44.295  18.237   1.203
  996   2HB   HIS 132          HB1       HIS 132 -45.850  17.424   1.341
  997    HD1  HIS 132           HD1      HIS 132 -43.046  18.693   3.327
  998    HD2  HIS 132           HD2      HIS 132 -46.228  16.076   3.875
  999    HE1  HIS 132           HE1      HIS 132 -43.250  18.393   5.816
 1000    HE2  HIS 132           HE2      HIS 132 -45.181  16.805   6.125
  Start of MODEL   37
    1   1H    MET   0           HT1      MET   0  34.160  -2.029   1.800
    2   2H    MET   0           HT2      MET   0  34.978  -3.485   1.534
    3   3H    MET   0           HT3      MET   0  33.320  -3.496   1.863
    4    HA   MET   0           HA       MET   0  34.640  -2.402  -0.550
    5   1HB   MET   0          HB2       MET   0  34.462  -4.874  -0.438
    6   2HB   MET   0          HB1       MET   0  32.725  -4.721  -0.219
    7   1HG   MET   0          HG2       MET   0  32.492  -3.746  -2.410
    8   2HG   MET   0          HG1       MET   0  34.240  -3.749  -2.629
    9   1HE   MET   0          HE1       MET   0  32.285  -6.742  -0.886
   10   2HE   MET   0          HE2       MET   0  31.707  -7.593  -2.319
   11   3HE   MET   0          HE3       MET   0  31.120  -5.970  -1.961
   12    H    ASN   1           HN       ASN   1  33.403  -1.201  -1.929
   13    HA   ASN   1           HA       ASN   1  30.893  -0.190  -0.817
   14   1HB   ASN   1          HB2       ASN   1  32.946   0.885  -2.691
   15   2HB   ASN   1          HB1       ASN   1  31.290   1.463  -2.861
   16   1HD2  ASN   1          HD21      ASN   1  30.386   2.703  -1.263
   17   2HD2  ASN   1          HD22      ASN   1  31.307   3.412   0.013
   18    H    CYS   2           HN       CYS   2  28.978  -0.100  -1.976
   19    HA   CYS   2           HA       CYS   2  28.738  -2.107  -4.075
   20   1HB   CYS   2          HB2       CYS   2  26.770  -0.680  -2.308
   21   2HB   CYS   2          HB1       CYS   2  26.229  -1.540  -3.745
   22    H    GLY   3           HN       GLY   3  26.924  -1.506  -5.734
   23   1HA   GLY   3          HA2       GLY   3  27.887   0.852  -7.139
   24   2HA   GLY   3          HA1       GLY   3  26.776  -0.358  -7.771
   25    HA   PRO   4           HA       PRO   4  24.831   3.916  -6.290
   26   1HB   PRO   4          HB2       PRO   4  24.005   3.544  -9.153
   27   2HB   PRO   4          HB1       PRO   4  24.231   5.041  -8.238
   28   1HG   PRO   4          HG2       PRO   4  26.126   4.199  -9.897
   29   2HG   PRO   4          HG1       PRO   4  26.556   4.893  -8.323
   30   1HD   PRO   4          HD2       PRO   4  26.635   2.061  -9.226
   31   2HD   PRO   4          HD1       PRO   4  27.636   2.893  -8.019
   32    HA   PRO   5           HA       PRO   5  21.420   1.273  -5.128
   33   1HB   PRO   5          HB2       PRO   5  20.161   3.922  -4.606
   34   2HB   PRO   5          HB1       PRO   5  20.292   2.508  -3.553
   35   1HG   PRO   5          HG2       PRO   5  21.843   4.634  -3.165
   36   2HG   PRO   5          HG1       PRO   5  22.483   2.993  -2.959
   37   1HD   PRO   5          HD2       PRO   5  22.880   4.917  -5.208
   38   2HD   PRO   5          HD1       PRO   5  24.024   3.763  -4.494
   39    HA   PRO   6           HA       PRO   6  18.674   1.623  -8.600
   40   1HB   PRO   6          HB2       PRO   6  16.879  -0.282  -7.545
   41   2HB   PRO   6          HB1       PRO   6  18.257  -0.609  -8.597
   42   1HG   PRO   6          HG2       PRO   6  17.966  -1.405  -5.920
   43   2HG   PRO   6          HG1       PRO   6  19.458  -1.455  -6.876
   44   1HD   PRO   6          HD2       PRO   6  18.570   0.534  -4.855
   45   2HD   PRO   6          HD1       PRO   6  20.211   0.001  -5.278
   46    H    THR   7           HN       THR   7  16.242   1.549  -8.940
   47    HA   THR   7           HA       THR   7  15.013   3.582  -7.217
   48    HB   THR   7           HB       THR   7  14.106   2.605  -9.941
   49    HG1  THR   7           HG1      THR   7  15.624   3.895 -10.646
   50   1HG2  THR   7          HG21      THR   7  12.715   4.655  -9.912
   51   2HG2  THR   7          HG22      THR   7  13.219   4.942  -8.246
   52   3HG2  THR   7          HG23      THR   7  12.271   3.510  -8.645
   53    H    LEU   8           HN       LEU   8  13.331   3.036  -5.901
   54    HA   LEU   8           HA       LEU   8  12.220   0.342  -6.274
   55   1HB   LEU   8          HB2       LEU   8  12.366   1.871  -3.685
   56   2HB   LEU   8          HB1       LEU   8  11.953   0.182  -3.903
   57    HG   LEU   8           HG       LEU   8  14.364  -0.028  -4.866
   58   1HD1  LEU   8          HD11      LEU   8  14.726   2.404  -3.132
   59   2HD1  LEU   8          HD12      LEU   8  14.726   2.439  -4.895
   60   3HD1  LEU   8          HD13      LEU   8  15.966   1.529  -4.031
   61   1HD2  LEU   8          HD21      LEU   8  13.634  -1.102  -2.821
   62   2HD2  LEU   8          HD22      LEU   8  13.833   0.407  -1.931
   63   3HD2  LEU   8          HD23      LEU   8  15.242  -0.415  -2.601
   64    H    SER   9           HN       SER   9  10.158   0.316  -4.650
   65    HA   SER   9           HA       SER   9   8.432   2.608  -5.133
   66   1HB   SER   9          HB2       SER   9   6.649   1.182  -6.120
   67   2HB   SER   9          HB1       SER   9   8.082   1.264  -7.144
   68    HG   SER   9           HG       SER   9   8.631  -0.778  -6.548
   69    H    PHE  10           HN       PHE  10   9.649   0.394  -3.156
   70    HA   PHE  10           HA       PHE  10   7.261   0.322  -1.442
   71   1HB   PHE  10          HB2       PHE  10   8.536  -1.677  -0.367
   72   2HB   PHE  10          HB1       PHE  10   7.661  -1.928  -1.872
   73    HD1  PHE  10           HD1      PHE  10   8.878  -2.136  -3.998
   74    HD2  PHE  10           HD2      PHE  10  10.904  -1.880  -0.265
   75    HE1  PHE  10           HE1      PHE  10  10.924  -3.002  -5.055
   76    HE2  PHE  10           HE2      PHE  10  12.954  -2.743  -1.314
   77    HZ   PHE  10           HZ       PHE  10  12.969  -3.305  -3.713
   78    H    ALA  11           HN       ALA  11   9.229   2.403  -1.715
   79    HA   ALA  11           HA       ALA  11   9.553   3.478   0.651
   80   1HB   ALA  11          HB1       ALA  11  11.884   1.574   0.322
   81   2HB   ALA  11          HB2       ALA  11  10.678   1.554   1.608
   82   3HB   ALA  11          HB3       ALA  11  11.831   2.884   1.501
   83    H    ALA  12           HN       ALA  12  10.765   5.328   0.645
   84    HA   ALA  12           HA       ALA  12  12.379   5.824  -1.772
   85   1HB   ALA  12          HB1       ALA  12  10.176   6.930  -1.855
   86   2HB   ALA  12          HB2       ALA  12  11.515   8.077  -1.859
   87   3HB   ALA  12          HB3       ALA  12  10.586   7.810  -0.383
   88    HA   PRO  13           HA       PRO  13  15.824   7.014   0.719
   89   1HB   PRO  13          HB2       PRO  13  16.038   9.384  -1.070
   90   2HB   PRO  13          HB1       PRO  13  17.256   8.174  -0.652
   91   1HG   PRO  13          HG2       PRO  13  16.070   8.136  -3.032
   92   2HG   PRO  13          HG1       PRO  13  16.431   6.627  -2.172
   93   1HD   PRO  13          HD2       PRO  13  13.824   8.044  -2.509
   94   2HD   PRO  13          HD1       PRO  13  14.168   6.302  -2.481
   95    H    MET  14           HN       MET  14  16.325   8.359   2.429
   96    HA   MET  14           HA       MET  14  15.112  10.956   2.689
   97   1HB   MET  14          HB2       MET  14  13.260   9.505   3.395
   98   2HB   MET  14          HB1       MET  14  14.305   8.754   4.594
   99   1HG   MET  14          HG2       MET  14  12.765  10.433   5.539
  100   2HG   MET  14          HG1       MET  14  14.464  10.800   5.828
  101   1HE   MET  14          HE1       MET  14  11.801  12.949   2.737
  102   2HE   MET  14          HE2       MET  14  11.133  11.987   4.056
  103   3HE   MET  14          HE3       MET  14  12.073  11.206   2.784
  104    H    ASP  15           HN       ASP  15  17.437   8.663   3.444
  105    HA   ASP  15           HA       ASP  15  18.746  10.545   5.277
  106   1HB   ASP  15          HB2       ASP  15  17.774   8.746   6.640
  107   2HB   ASP  15          HB1       ASP  15  18.627   7.550   5.671
  108    H    ILE  16           HN       ILE  16  18.958   8.076   2.868
  109    HA   ILE  16           HA       ILE  16  21.723   7.697   2.775
  110    HB   ILE  16           HB       ILE  16  20.510   6.138   1.547
  111   1HG1  ILE  16          HG12      ILE  16  21.456   8.014  -0.620
  112   2HG1  ILE  16          HG11      ILE  16  22.534   6.992   0.325
  113   1HG2  ILE  16          HG21      ILE  16  18.435   7.363   1.411
  114   2HG2  ILE  16          HG22      ILE  16  18.859   6.715  -0.175
  115   3HG2  ILE  16          HG23      ILE  16  19.117   8.424   0.177
  116   1HD1  ILE  16          HD11      ILE  16  21.369   5.010  -0.516
  117   2HD1  ILE  16          HD12      ILE  16  22.063   5.982  -1.814
  118   3HD1  ILE  16          HD13      ILE  16  20.330   6.050  -1.491
  119    H    THR  17           HN       THR  17  19.835  10.340   1.886
  120    HA   THR  17           HA       THR  17  20.191  12.258   0.694
  121    HB   THR  17           HB       THR  17  22.436  13.290   1.023
  122    HG1  THR  17           HG1      THR  17  23.750  11.481   1.188
  123   1HG2  THR  17          HG21      THR  17  21.061  12.209   3.484
  124   2HG2  THR  17          HG22      THR  17  20.667  13.703   2.631
  125   3HG2  THR  17          HG23      THR  17  22.208  13.549   3.475
  126    H    LEU  18           HN       LEU  18  19.934  11.821  -1.426
  127    HA   LEU  18           HA       LEU  18  21.755  10.308  -2.953
  128   1HB   LEU  18          HB2       LEU  18  19.316  11.898  -3.452
  129   2HB   LEU  18          HB1       LEU  18  20.367  11.629  -4.825
  130    HG   LEU  18           HG       LEU  18  18.664   9.925  -4.804
  131   1HD1  LEU  18          HD11      LEU  18  20.094   7.880  -4.549
  132   2HD1  LEU  18          HD12      LEU  18  21.371   8.934  -3.939
  133   3HD1  LEU  18          HD13      LEU  18  20.767   9.138  -5.585
  134   1HD2  LEU  18          HD21      LEU  18  19.621   9.165  -2.050
  135   2HD2  LEU  18          HD22      LEU  18  18.290   8.445  -2.957
  136   3HD2  LEU  18          HD23      LEU  18  18.164  10.104  -2.374
  137    H    THR  19           HN       THR  19  23.749  11.404  -2.436
  138    HA   THR  19           HA       THR  19  24.307  13.570  -4.307
  139    HB   THR  19           HB       THR  19  25.409  14.970  -2.690
  140    HG1  THR  19           HG1      THR  19  24.631  13.106  -0.680
  141   1HG2  THR  19          HG21      THR  19  23.037  15.385  -2.881
  142   2HG2  THR  19          HG22      THR  19  23.512  15.574  -1.192
  143   3HG2  THR  19          HG23      THR  19  22.679  14.107  -1.717
  144    H    GLU  20           HN       GLU  20  25.090  10.703  -2.820
  145    HA   GLU  20           HA       GLU  20  27.957  10.937  -3.394
  146   1HB   GLU  20          HB2       GLU  20  26.329   9.141  -1.640
  147   2HB   GLU  20          HB1       GLU  20  27.891   8.584  -2.227
  148   1HG   GLU  20          HG2       GLU  20  28.960  10.540  -1.224
  149   2HG   GLU  20          HG1       GLU  20  27.392  11.082  -0.625
  150    H    THR  21           HN       THR  21  28.661   8.374  -3.870
  151    HA   THR  21           HA       THR  21  27.097   7.566  -6.230
  152    HB   THR  21           HB       THR  21  29.422   6.875  -7.169
  153    HG1  THR  21           HG1      THR  21  31.134   7.861  -6.309
  154   1HG2  THR  21          HG21      THR  21  28.703   9.805  -7.088
  155   2HG2  THR  21          HG22      THR  21  27.892   8.612  -8.102
  156   3HG2  THR  21          HG23      THR  21  29.603   8.964  -8.351
  157    H    ARG  22           HN       ARG  22  29.372   6.642  -3.706
  158    HA   ARG  22           HA       ARG  22  28.576   3.837  -4.100
  159   1HB   ARG  22          HB2       ARG  22  31.260   4.896  -3.243
  160   2HB   ARG  22          HB1       ARG  22  30.791   3.203  -3.185
  161   1HG   ARG  22          HG2       ARG  22  31.830   3.191  -5.185
  162   2HG   ARG  22          HG1       ARG  22  30.231   3.678  -5.737
  163   1HD   ARG  22          HD2       ARG  22  31.971   5.075  -6.728
  164   2HD   ARG  22          HD1       ARG  22  30.906   6.016  -5.682
  165    HE   ARG  22           HE       ARG  22  33.087   5.180  -4.158
  166   1HH1  ARG  22          HH11      ARG  22  32.420   7.267  -6.866
  167   2HH1  ARG  22          HH12      ARG  22  33.737   8.340  -6.528
  168   1HH2  ARG  22          HH21      ARG  22  34.821   6.586  -3.704
  169   2HH2  ARG  22          HH22      ARG  22  35.103   7.953  -4.731
  170    H    PHE  23           HN       PHE  23  28.617   2.539  -2.124
  171    HA   PHE  23           HA       PHE  23  28.542   3.995   0.404
  172   1HB   PHE  23          HB2       PHE  23  26.244   2.231  -0.481
  173   2HB   PHE  23          HB1       PHE  23  26.346   3.189   0.995
  174    HD1  PHE  23           HD1      PHE  23  25.643   5.425   1.036
  175    HD2  PHE  23           HD2      PHE  23  26.149   3.431  -2.687
  176    HE1  PHE  23           HE1      PHE  23  24.598   7.328  -0.124
  177    HE2  PHE  23           HE2      PHE  23  25.119   5.326  -3.852
  178    HZ   PHE  23           HZ       PHE  23  24.333   7.281  -2.573
  179    H    LYS  24           HN       LYS  24  29.975   2.897   1.582
  180    HA   LYS  24           HA       LYS  24  31.015   0.415   1.069
  181   1HB   LYS  24          HB2       LYS  24  30.718   1.477   3.872
  182   2HB   LYS  24          HB1       LYS  24  31.994   0.450   3.236
  183   1HG   LYS  24          HG2       LYS  24  32.780   2.298   1.835
  184   2HG   LYS  24          HG1       LYS  24  31.506   3.329   2.493
  185   1HD   LYS  24          HD2       LYS  24  33.725   2.031   4.077
  186   2HD   LYS  24          HD1       LYS  24  33.650   3.731   3.606
  187   1HE   LYS  24          HE2       LYS  24  31.701   4.084   4.958
  188   2HE   LYS  24          HE1       LYS  24  31.574   2.360   5.306
  189   1HZ   LYS  24          HZ1       LYS  24  33.673   4.237   6.235
  190   2HZ   LYS  24          HZ2       LYS  24  33.799   2.558   6.392
  191   3HZ   LYS  24          HZ3       LYS  24  32.553   3.389   7.180
  192    H    THR  25           HN       THR  25  30.933  -1.553   2.463
  193    HA   THR  25           HA       THR  25  28.351  -2.672   2.369
  194    HB   THR  25           HB       THR  25  29.613  -4.426   3.900
  195    HG1  THR  25           HG1      THR  25  31.671  -2.941   2.618
  196   1HG2  THR  25          HG21      THR  25  28.740  -4.781   1.597
  197   2HG2  THR  25          HG22      THR  25  30.270  -5.610   1.885
  198   3HG2  THR  25          HG23      THR  25  30.240  -4.104   0.965
  199    H    GLY  26           HN       GLY  26  29.668  -0.634   4.641
  200   1HA   GLY  26          HA2       GLY  26  28.188  -1.840   6.876
  201   2HA   GLY  26          HA1       GLY  26  29.394  -0.569   7.015
  202    H    THR  27           HN       THR  27  27.938   0.594   4.553
  203    HA   THR  27           HA       THR  27  26.466   2.564   5.938
  204    HB   THR  27           HB       THR  27  27.487   2.669   3.560
  205    HG1  THR  27           HG1      THR  27  25.130   3.832   4.531
  206   1HG2  THR  27          HG21      THR  27  24.754   2.055   2.580
  207   2HG2  THR  27          HG22      THR  27  25.796   0.687   2.976
  208   3HG2  THR  27          HG23      THR  27  26.316   1.871   1.777
  209    H    THR  28           HN       THR  28  24.114   3.074   5.442
  210    HA   THR  28           HA       THR  28  22.381   0.881   4.800
  211    HB   THR  28           HB       THR  28  22.288   1.909   7.645
  212    HG1  THR  28           HG1      THR  28  23.411   0.174   8.212
  213   1HG2  THR  28          HG21      THR  28  20.591   0.255   8.007
  214   2HG2  THR  28          HG22      THR  28  20.811  -0.400   6.385
  215   3HG2  THR  28          HG23      THR  28  20.123   1.210   6.599
  216    H    LEU  29           HN       LEU  29  20.646   1.701   3.833
  217    HA   LEU  29           HA       LEU  29  20.134   4.548   4.045
  218   1HB   LEU  29          HB2       LEU  29  18.407   2.804   2.374
  219   2HB   LEU  29          HB1       LEU  29  19.036   4.404   2.042
  220    HG   LEU  29           HG       LEU  29  20.494   1.780   1.777
  221   1HD1  LEU  29          HD11      LEU  29  20.708   2.487  -0.568
  222   2HD1  LEU  29          HD12      LEU  29  19.730   3.910  -0.214
  223   3HD1  LEU  29          HD13      LEU  29  19.026   2.299  -0.075
  224   1HD2  LEU  29          HD21      LEU  29  21.598   4.548   1.375
  225   2HD2  LEU  29          HD22      LEU  29  22.445   3.020   1.126
  226   3HD2  LEU  29          HD23      LEU  29  21.955   3.504   2.749
  227    H    LYS  30           HN       LYS  30  18.382   5.476   4.984
  228    HA   LYS  30           HA       LYS  30  16.824   3.938   6.810
  229   1HB   LYS  30          HB2       LYS  30  17.512   6.349   7.131
  230   2HB   LYS  30          HB1       LYS  30  16.306   6.777   5.923
  231   1HG   LYS  30          HG2       LYS  30  15.363   7.131   8.082
  232   2HG   LYS  30          HG1       LYS  30  14.575   5.728   7.360
  233   1HD   LYS  30          HD2       LYS  30  15.047   5.231   9.659
  234   2HD   LYS  30          HD1       LYS  30  16.126   4.268   8.647
  235   1HE   LYS  30          HE2       LYS  30  17.908   5.929   9.008
  236   2HE   LYS  30          HE1       LYS  30  16.828   6.835  10.067
  237   1HZ   LYS  30          HZ1       LYS  30  17.727   4.043  10.530
  238   2HZ   LYS  30          HZ2       LYS  30  16.738   4.953  11.558
  239   3HZ   LYS  30          HZ3       LYS  30  18.348   5.410  11.309
  240    H    TYR  31           HN       TYR  31  15.739   6.089   4.202
  241    HA   TYR  31           HA       TYR  31  14.048   5.969   2.710
  242   1HB   TYR  31          HB2       TYR  31  14.672   3.100   3.181
  243   2HB   TYR  31          HB1       TYR  31  13.168   3.477   2.343
  244    HD1  TYR  31           HD1      TYR  31  13.298   3.413   0.045
  245    HD2  TYR  31           HD2      TYR  31  16.733   4.622   2.244
  246    HE1  TYR  31           HE1      TYR  31  14.546   3.671  -2.058
  247    HE2  TYR  31           HE2      TYR  31  17.990   4.883   0.148
  248    HH   TYR  31           HH       TYR  31  17.914   4.037  -2.164
  249    H    THR  32           HN       THR  32  11.936   6.376   2.780
  250    HA   THR  32           HA       THR  32  10.500   5.650   5.241
  251    HB   THR  32           HB       THR  32  10.268   7.902   5.287
  252    HG1  THR  32           HG1      THR  32   8.357   7.579   3.221
  253   1HG2  THR  32          HG21      THR  32  11.770   8.305   3.409
  254   2HG2  THR  32          HG22      THR  32  10.370   9.377   3.324
  255   3HG2  THR  32          HG23      THR  32  10.463   7.964   2.273
  256    H    CYS  33           HN       CYS  33   8.080   5.392   4.965
  257    HA   CYS  33           HA       CYS  33   7.556   3.906   2.477
  258   1HB   CYS  33          HB2       CYS  33   6.706   3.338   5.305
  259   2HB   CYS  33          HB1       CYS  33   5.863   2.634   3.929
  260    H    LEU  34           HN       LEU  34   6.549   5.275   1.290
  261    HA   LEU  34           HA       LEU  34   4.922   7.330   1.562
  262   1HB   LEU  34          HB2       LEU  34   4.065   5.050  -0.205
  263   2HB   LEU  34          HB1       LEU  34   3.727   6.754  -0.437
  264    HG   LEU  34           HG       LEU  34   6.442   5.440  -0.637
  265   1HD1  LEU  34          HD11      LEU  34   6.284   5.968  -3.001
  266   2HD1  LEU  34          HD12      LEU  34   4.679   6.655  -2.757
  267   3HD1  LEU  34          HD13      LEU  34   4.946   4.930  -2.508
  268   1HD2  LEU  34          HD21      LEU  34   7.256   7.607  -1.357
  269   2HD2  LEU  34          HD22      LEU  34   6.564   7.723   0.262
  270   3HD2  LEU  34          HD23      LEU  34   5.654   8.308  -1.130
  271    HA   PRO  35           HA       PRO  35   2.067   6.330   4.878
  272   1HB   PRO  35          HB2       PRO  35   0.683   8.437   3.257
  273   2HB   PRO  35          HB1       PRO  35   0.814   8.280   5.012
  274   1HG   PRO  35          HG2       PRO  35   2.413   9.924   3.553
  275   2HG   PRO  35          HG1       PRO  35   2.932   9.158   5.064
  276   1HD   PRO  35          HD2       PRO  35   3.854   8.670   2.350
  277   2HD   PRO  35          HD1       PRO  35   4.526   8.071   3.876
  278    H    GLY  36           HN       GLY  36   0.657   4.733   4.951
  279   1HA   GLY  36          HA2       GLY  36  -1.630   4.053   4.368
  280   2HA   GLY  36          HA1       GLY  36  -1.227   4.416   2.701
  281    H    TYR  37           HN       TYR  37   1.294   3.152   2.599
  282    HA   TYR  37           HA       TYR  37   1.283   0.933   1.459
  283   1HB   TYR  37          HB2       TYR  37   2.928   1.612   3.801
  284   2HB   TYR  37          HB1       TYR  37   2.973  -0.074   3.286
  285    HD1  TYR  37           HD1      TYR  37   3.654  -0.616   0.934
  286    HD2  TYR  37           HD2      TYR  37   4.014   3.302   2.541
  287    HE1  TYR  37           HE1      TYR  37   5.218  -0.028  -0.868
  288    HE2  TYR  37           HE2      TYR  37   5.584   3.895   0.747
  289    HH   TYR  37           HH       TYR  37   7.124   2.773  -0.797
  290    H    VAL  38           HN       VAL  38   1.232  -1.271   1.636
  291    HA   VAL  38           HA       VAL  38  -1.019  -2.119   3.331
  292    HB   VAL  38           HB       VAL  38  -0.118  -3.223   0.670
  293   1HG1  VAL  38          HG11      VAL  38  -2.350  -4.038   2.509
  294   2HG1  VAL  38          HG12      VAL  38  -0.969  -5.008   1.994
  295   3HG1  VAL  38          HG13      VAL  38  -2.212  -4.555   0.829
  296   1HG2  VAL  38          HG21      VAL  38  -2.525  -1.596   1.467
  297   2HG2  VAL  38          HG22      VAL  38  -2.324  -2.385  -0.097
  298   3HG2  VAL  38          HG23      VAL  38  -1.214  -1.105   0.393
  299    H    ARG  39           HN       ARG  39  -0.994  -4.271   4.119
  300    HA   ARG  39           HA       ARG  39   1.101  -5.003   5.644
  301   1HB   ARG  39          HB2       ARG  39  -0.976  -6.788   4.396
  302   2HB   ARG  39          HB1       ARG  39   0.122  -7.313   5.666
  303   1HG   ARG  39          HG2       ARG  39  -0.782  -5.537   7.128
  304   2HG   ARG  39          HG1       ARG  39  -1.943  -5.132   5.861
  305   1HD   ARG  39          HD2       ARG  39  -2.883  -7.369   5.980
  306   2HD   ARG  39          HD1       ARG  39  -1.691  -7.822   7.196
  307    HE   ARG  39           HE       ARG  39  -2.963  -5.658   8.265
  308   1HH1  ARG  39          HH11      ARG  39  -3.994  -8.747   7.024
  309   2HH1  ARG  39          HH12      ARG  39  -5.363  -8.858   8.079
  310   1HH2  ARG  39          HH21      ARG  39  -4.763  -5.797   9.658
  311   2HH2  ARG  39          HH22      ARG  39  -5.800  -7.181   9.575
  312    H    SER  40           HN       SER  40   3.005  -5.829   5.454
  313    HA   SER  40           HA       SER  40   3.974  -7.940   4.114
  314   1HB   SER  40          HB2       SER  40   3.242  -6.913   1.983
  315   2HB   SER  40          HB1       SER  40   4.289  -5.531   2.305
  316    HG   SER  40           HG       SER  40   5.300  -8.166   2.243
  317    H    HIS  41           HN       HIS  41   4.302  -5.047   5.682
  318    HA   HIS  41           HA       HIS  41   7.010  -4.418   5.488
  319   1HB   HIS  41          HB2       HIS  41   6.723  -3.264   7.637
  320   2HB   HIS  41          HB1       HIS  41   5.390  -2.929   6.538
  321    HD1  HIS  41           HD1      HIS  41   6.128  -4.137   9.894
  322    HD2  HIS  41           HD2      HIS  41   2.970  -4.420   7.209
  323    HE1  HIS  41           HE1      HIS  41   4.151  -4.878  11.258
  324    HE2  HIS  41           HE2      HIS  41   2.273  -5.127   9.597
  325    H    SER  42           HN       SER  42   8.745  -4.777   6.934
  326    HA   SER  42           HA       SER  42   8.767  -6.628   9.032
  327   1HB   SER  42          HB2       SER  42   8.314  -8.293   7.275
  328   2HB   SER  42          HB1       SER  42   9.745  -7.756   6.396
  329    HG   SER  42           HG       SER  42  10.033  -8.550   9.063
  330    H    THR  43           HN       THR  43  10.168  -4.505   6.868
  331    HA   THR  43           HA       THR  43  12.475  -4.107   8.540
  332    HB   THR  43           HB       THR  43  13.270  -4.496   5.708
  333    HG1  THR  43           HG1      THR  43  12.339  -6.449   5.817
  334   1HG2  THR  43          HG21      THR  43  14.809  -3.748   7.525
  335   2HG2  THR  43          HG22      THR  43  15.341  -5.212   6.698
  336   3HG2  THR  43          HG23      THR  43  14.594  -5.321   8.292
  337    H    GLN  44           HN       GLN  44  14.007  -2.615   6.699
  338    HA   GLN  44           HA       GLN  44  12.771  -0.834   5.029
  339   1HB   GLN  44          HB2       GLN  44  11.378  -0.334   7.104
  340   2HB   GLN  44          HB1       GLN  44  12.828   0.375   7.796
  341   1HG   GLN  44          HG2       GLN  44  12.918   1.959   5.913
  342   2HG   GLN  44          HG1       GLN  44  11.416   1.273   5.295
  343   1HE2  GLN  44          HE21      GLN  44  10.318   3.215   5.471
  344   2HE2  GLN  44          HE22      GLN  44   9.843   3.875   6.995
  345    H    THR  45           HN       THR  45  15.267  -1.935   5.108
  346    HA   THR  45           HA       THR  45  16.944   0.437   5.208
  347    HB   THR  45           HB       THR  45  18.738  -0.706   6.493
  348    HG1  THR  45           HG1      THR  45  16.680  -2.633   6.893
  349   1HG2  THR  45          HG21      THR  45  16.119  -0.403   7.965
  350   2HG2  THR  45          HG22      THR  45  17.262   0.895   7.604
  351   3HG2  THR  45          HG23      THR  45  17.722  -0.408   8.702
  352    H    LEU  46           HN       LEU  46  18.650   0.402   3.842
  353    HA   LEU  46           HA       LEU  46  19.047  -2.022   2.212
  354   1HB   LEU  46          HB2       LEU  46  18.629   0.793   1.431
  355   2HB   LEU  46          HB1       LEU  46  19.931  -0.025   0.590
  356    HG   LEU  46           HG       LEU  46  18.353  -1.764  -0.156
  357   1HD1  LEU  46          HD11      LEU  46  16.352  -0.095   1.346
  358   2HD1  LEU  46          HD12      LEU  46  16.746  -1.798   1.587
  359   3HD1  LEU  46          HD13      LEU  46  15.907  -1.285   0.123
  360   1HD2  LEU  46          HD21      LEU  46  18.786   0.334  -1.472
  361   2HD2  LEU  46          HD22      LEU  46  17.277   0.969  -0.816
  362   3HD2  LEU  46          HD23      LEU  46  17.262  -0.477  -1.829
  363    H    THR  47           HN       THR  47  20.909  -2.901   2.860
  364    HA   THR  47           HA       THR  47  23.173  -1.111   3.483
  365    HB   THR  47           HB       THR  47  22.802  -3.978   4.379
  366    HG1  THR  47           HG1      THR  47  21.473  -3.094   5.776
  367   1HG2  THR  47          HG21      THR  47  24.765  -1.845   5.224
  368   2HG2  THR  47          HG22      THR  47  25.131  -3.293   4.289
  369   3HG2  THR  47          HG23      THR  47  24.607  -3.437   5.966
  370    H    CYS  48           HN       CYS  48  25.293  -1.757   2.777
  371    HA   CYS  48           HA       CYS  48  25.205  -3.123   0.233
  372   1HB   CYS  48          HB2       CYS  48  26.577  -1.080   0.451
  373   2HB   CYS  48          HB1       CYS  48  27.518  -1.843   1.717
  374    H    ASN  49           HN       ASN  49  25.383  -5.237   0.138
  375    HA   ASN  49           HA       ASN  49  26.691  -6.670   2.324
  376   1HB   ASN  49          HB2       ASN  49  25.672  -8.695   1.139
  377   2HB   ASN  49          HB1       ASN  49  24.540  -7.556   1.863
  378   1HD2  ASN  49          HD21      ASN  49  23.494  -6.035   0.476
  379   2HD2  ASN  49          HD22      ASN  49  23.213  -6.432  -1.182
  380    H    SER  50           HN       SER  50  27.793  -8.824   1.406
  381    HA   SER  50           HA       SER  50  29.923  -7.865  -0.326
  382   1HB   SER  50          HB2       SER  50  30.525  -9.113   1.702
  383   2HB   SER  50          HB1       SER  50  29.605 -10.507   1.133
  384    HG   SER  50           HG       SER  50  31.995  -9.424   0.093
  385    H    ASP  51           HN       ASP  51  28.053  -7.761  -1.949
  386    HA   ASP  51           HA       ASP  51  28.285 -10.017  -3.802
  387   1HB   ASP  51          HB2       ASP  51  26.207 -10.272  -2.266
  388   2HB   ASP  51          HB1       ASP  51  25.568  -8.909  -3.184
  389    H    GLY  52           HN       GLY  52  28.525  -6.856  -3.181
  390   1HA   GLY  52          HA2       GLY  52  28.585  -4.961  -4.465
  391   2HA   GLY  52          HA1       GLY  52  28.669  -6.037  -5.852
  392    H    GLU  53           HN       GLU  53  26.014  -6.490  -3.861
  393    HA   GLU  53           HA       GLU  53  24.296  -4.713  -5.467
  394   1HB   GLU  53          HB2       GLU  53  22.712  -6.385  -5.849
  395   2HB   GLU  53          HB1       GLU  53  24.241  -7.224  -6.078
  396   1HG   GLU  53          HG2       GLU  53  24.079  -8.126  -3.808
  397   2HG   GLU  53          HG1       GLU  53  22.539  -7.295  -3.595
  398    H    TRP  54           HN       TRP  54  22.071  -4.481  -4.435
  399    HA   TRP  54           HA       TRP  54  22.440  -3.973  -1.600
  400   1HB   TRP  54          HB2       TRP  54  20.407  -3.040  -3.631
  401   2HB   TRP  54          HB1       TRP  54  20.289  -2.672  -1.917
  402    HD1  TRP  54           HD1      TRP  54  21.926  -1.487  -5.068
  403    HE1  TRP  54           HE1      TRP  54  23.497   0.487  -4.543
  404    HE3  TRP  54           HE3      TRP  54  21.954  -1.820   0.014
  405    HZ2  TRP  54           HZ2      TRP  54  24.601   1.741  -2.262
  406    HZ3  TRP  54           HZ3      TRP  54  23.288  -0.200   1.307
  407    HH2  TRP  54           HH2      TRP  54  24.583   1.543   0.188
  408    H    VAL  55           HN       VAL  55  21.782  -5.419  -0.225
  409    HA   VAL  55           HA       VAL  55  19.768  -7.433  -0.973
  410    HB   VAL  55           HB       VAL  55  22.167  -7.403   0.778
  411   1HG1  VAL  55          HG11      VAL  55  19.744  -9.055   1.464
  412   2HG1  VAL  55          HG12      VAL  55  20.400  -7.724   2.418
  413   3HG1  VAL  55          HG13      VAL  55  21.341  -9.200   2.198
  414   1HG2  VAL  55          HG21      VAL  55  22.602  -9.472  -0.174
  415   2HG2  VAL  55          HG22      VAL  55  21.781  -8.612  -1.480
  416   3HG2  VAL  55          HG23      VAL  55  20.898  -9.789  -0.506
  417    H    TYR  56           HN       TYR  56  17.991  -7.802   0.351
  418    HA   TYR  56           HA       TYR  56  17.615  -6.820   2.873
  419   1HB   TYR  56          HB2       TYR  56  16.079  -4.847   2.447
  420   2HB   TYR  56          HB1       TYR  56  17.780  -4.562   2.095
  421    HD1  TYR  56           HD1      TYR  56  18.500  -3.990  -0.098
  422    HD2  TYR  56           HD2      TYR  56  14.485  -5.238   0.550
  423    HE1  TYR  56           HE1      TYR  56  17.916  -3.277  -2.376
  424    HE2  TYR  56           HE2      TYR  56  13.892  -4.530  -1.727
  425    HH   TYR  56           HH       TYR  56  14.707  -2.989  -3.449
  426    H    ASN  57           HN       ASN  57  15.148  -6.574   3.448
  427    HA   ASN  57           HA       ASN  57  13.780  -8.770   2.088
  428   1HB   ASN  57          HB2       ASN  57  13.046  -7.349   4.659
  429   2HB   ASN  57          HB1       ASN  57  12.307  -8.821   4.033
  430   1HD2  ASN  57          HD21      ASN  57  13.436 -10.757   4.133
  431   2HD2  ASN  57          HD22      ASN  57  14.821 -10.962   5.145
  432    H    THR  58           HN       THR  58  11.291  -8.494   2.023
  433    HA   THR  58           HA       THR  58  10.770  -5.936   0.688
  434    HB   THR  58           HB       THR  58   9.085  -8.443   0.584
  435    HG1  THR  58           HG1      THR  58  11.260  -8.615  -0.355
  436   1HG2  THR  58          HG21      THR  58   7.882  -7.407  -1.144
  437   2HG2  THR  58          HG22      THR  58   9.111  -6.163  -1.373
  438   3HG2  THR  58          HG23      THR  58   8.083  -6.134   0.061
  439    H    PHE  59           HN       PHE  59  10.458  -4.743   2.610
  440    HA   PHE  59           HA       PHE  59   8.451  -5.477   4.506
  441   1HB   PHE  59          HB2       PHE  59   8.794  -2.932   5.126
  442   2HB   PHE  59          HB1       PHE  59  10.015  -4.136   5.519
  443    HD1  PHE  59           HD1      PHE  59   9.225  -1.203   3.546
  444    HD2  PHE  59           HD2      PHE  59  12.078  -4.294   4.187
  445    HE1  PHE  59           HE1      PHE  59  10.907   0.096   2.307
  446    HE2  PHE  59           HE2      PHE  59  13.764  -3.001   2.948
  447    HZ   PHE  59           HZ       PHE  59  13.179  -0.802   2.007
  448    H    CYS  60           HN       CYS  60   8.041  -2.215   3.827
  449    HA   CYS  60           HA       CYS  60   5.338  -2.348   3.276
  450   1HB   CYS  60          HB2       CYS  60   7.158  -0.187   2.197
  451   2HB   CYS  60          HB1       CYS  60   5.471  -0.035   2.679
  452    H    ILE  61           HN       ILE  61   4.112  -2.189   1.282
  453    HA   ILE  61           HA       ILE  61   5.639  -2.637  -1.168
  454    HB   ILE  61           HB       ILE  61   4.324  -4.541  -1.865
  455   1HG1  ILE  61          HG12      ILE  61   3.091  -4.487   0.899
  456   2HG1  ILE  61          HG11      ILE  61   2.260  -3.965  -0.565
  457   1HG2  ILE  61          HG21      ILE  61   5.560  -4.870   0.856
  458   2HG2  ILE  61          HG22      ILE  61   6.388  -4.976  -0.699
  459   3HG2  ILE  61          HG23      ILE  61   5.188  -6.190  -0.252
  460   1HD1  ILE  61          HD11      ILE  61   1.677  -6.250   0.157
  461   2HD1  ILE  61          HD12      ILE  61   3.350  -6.731  -0.123
  462   3HD1  ILE  61          HD13      ILE  61   2.354  -6.180  -1.470
  463    H    TYR  62           HN       TYR  62   2.420  -2.163   0.211
  464    HA   TYR  62           HA       TYR  62   0.643  -0.831  -0.538
  465   1HB   TYR  62          HB2       TYR  62   2.933   0.429  -1.574
  466   2HB   TYR  62          HB1       TYR  62   1.798   0.296  -2.918
  467    HD1  TYR  62           HD1      TYR  62  -0.791   0.720  -1.780
  468    HD2  TYR  62           HD2      TYR  62   2.902   2.539  -0.711
  469    HE1  TYR  62           HE1      TYR  62  -2.013   2.660  -0.890
  470    HE2  TYR  62           HE2      TYR  62   1.697   4.483   0.180
  471    HH   TYR  62           HH       TYR  62  -0.274   5.489   0.360
  472    H    LYS  63           HN       LYS  63  -1.002  -1.667  -1.362
  473    HA   LYS  63           HA       LYS  63  -1.256  -2.537  -4.054
  474   1HB   LYS  63          HB2       LYS  63  -2.084  -4.890  -3.147
  475   2HB   LYS  63          HB1       LYS  63  -0.415  -4.632  -3.627
  476   1HG   LYS  63          HG2       LYS  63   0.365  -4.877  -1.535
  477   2HG   LYS  63          HG1       LYS  63  -1.013  -4.048  -0.809
  478   1HD   LYS  63          HD2       LYS  63  -2.329  -5.983  -0.828
  479   2HD   LYS  63          HD1       LYS  63  -1.284  -6.792  -1.991
  480   1HE   LYS  63          HE2       LYS  63   0.407  -7.087  -0.363
  481   2HE   LYS  63          HE1       LYS  63  -0.409  -6.046   0.796
  482   1HZ   LYS  63          HZ1       LYS  63  -1.410  -8.667  -0.189
  483   2HZ   LYS  63          HZ2       LYS  63  -2.188  -7.675   0.938
  484   3HZ   LYS  63          HZ3       LYS  63  -0.704  -8.389   1.324
  485    H    ARG  64           HN       ARG  64  -3.183  -1.597  -4.452
  486    HA   ARG  64           HA       ARG  64  -5.140  -1.435  -2.282
  487   1HB   ARG  64          HB2       ARG  64  -6.249   0.209  -3.901
  488   2HB   ARG  64          HB1       ARG  64  -4.738   0.708  -3.156
  489   1HG   ARG  64          HG2       ARG  64  -4.687  -0.615  -5.828
  490   2HG   ARG  64          HG1       ARG  64  -5.141   1.086  -5.699
  491   1HD   ARG  64          HD2       ARG  64  -2.615  -0.059  -4.525
  492   2HD   ARG  64          HD1       ARG  64  -2.704   0.654  -6.136
  493    HE   ARG  64           HE       ARG  64  -3.742   2.493  -4.309
  494   1HH1  ARG  64          HH11      ARG  64  -0.704   0.983  -5.104
  495   2HH1  ARG  64          HH12      ARG  64   0.251   2.320  -4.554
  496   1HH2  ARG  64          HH21      ARG  64  -2.492   4.259  -3.584
  497   2HH2  ARG  64          HH22      ARG  64  -0.765   4.181  -3.691
  498    H    CYS  65           HN       CYS  65  -7.504  -1.352  -3.306
  499    HA   CYS  65           HA       CYS  65  -7.781  -3.856  -4.822
  500   1HB   CYS  65          HB2       CYS  65 -10.252  -3.021  -3.641
  501   2HB   CYS  65          HB1       CYS  65  -9.315  -4.469  -3.302
  502    H    ARG  66           HN       ARG  66  -9.532  -3.949  -6.398
  503    HA   ARG  66           HA       ARG  66  -9.549  -1.733  -8.089
  504   1HB   ARG  66          HB2       ARG  66 -10.047  -3.904  -8.996
  505   2HB   ARG  66          HB1       ARG  66 -11.439  -4.090  -7.938
  506   1HG   ARG  66          HG2       ARG  66 -12.134  -3.588 -10.203
  507   2HG   ARG  66          HG1       ARG  66 -12.567  -2.265  -9.118
  508   1HD   ARG  66          HD2       ARG  66 -11.681  -1.275 -11.084
  509   2HD   ARG  66          HD1       ARG  66 -10.450  -1.124  -9.830
  510    HE   ARG  66           HE       ARG  66  -9.761  -3.413 -11.089
  511   1HH1  ARG  66          HH11      ARG  66 -10.451  -0.185 -12.202
  512   2HH1  ARG  66          HH12      ARG  66  -9.384  -0.286 -13.562
  513   1HH2  ARG  66          HH21      ARG  66  -8.351  -3.557 -12.879
  514   2HH2  ARG  66          HH22      ARG  66  -8.190  -2.203 -13.947
  515    H    HIS  67           HN       HIS  67 -11.005  -0.110  -8.448
  516    HA   HIS  67           HA       HIS  67 -12.200   1.110  -6.300
  517   1HB   HIS  67          HB2       HIS  67 -11.732   2.150  -8.534
  518   2HB   HIS  67          HB1       HIS  67 -13.169   1.344  -9.153
  519    HD1  HIS  67           HD1      HIS  67 -15.110   2.860  -9.225
  520    HD2  HIS  67           HD2      HIS  67 -12.569   3.756  -6.063
  521    HE1  HIS  67           HE1      HIS  67 -16.152   4.833  -8.062
  522    HE2  HIS  67           HE2      HIS  67 -14.571   5.390  -6.181
  523    HA   PRO  68           HA       PRO  68 -15.643  -1.451  -5.005
  524   1HB   PRO  68          HB2       PRO  68 -17.100   0.907  -4.390
  525   2HB   PRO  68          HB1       PRO  68 -16.259  -0.173  -3.283
  526   1HG   PRO  68          HG2       PRO  68 -15.377   2.398  -4.439
  527   2HG   PRO  68          HG1       PRO  68 -14.891   1.614  -2.927
  528   1HD   PRO  68          HD2       PRO  68 -13.242   1.727  -5.035
  529   2HD   PRO  68          HD1       PRO  68 -13.297   0.295  -3.982
  530    H    GLY  69           HN       GLY  69 -16.053   1.429  -7.012
  531   1HA   GLY  69          HA2       GLY  69 -17.259   1.461  -9.053
  532   2HA   GLY  69          HA1       GLY  69 -18.153   0.043  -8.516
  533    H    GLU  70           HN       GLU  70 -19.828   1.560  -9.421
  534    HA   GLU  70           HA       GLU  70 -20.655   3.702  -7.671
  535   1HB   GLU  70          HB2       GLU  70 -20.897   3.989 -10.086
  536   2HB   GLU  70          HB1       GLU  70 -21.932   2.571 -10.165
  537   1HG   GLU  70          HG2       GLU  70 -23.251   4.588 -10.275
  538   2HG   GLU  70          HG1       GLU  70 -23.598   3.708  -8.788
  539    H    LEU  71           HN       LEU  71 -22.061   3.651  -6.164
  540    HA   LEU  71           HA       LEU  71 -23.574   1.180  -5.674
  541   1HB   LEU  71          HB2       LEU  71 -22.267   1.713  -3.777
  542   2HB   LEU  71          HB1       LEU  71 -22.621   3.424  -3.906
  543    HG   LEU  71           HG       LEU  71 -24.972   2.901  -3.255
  544   1HD1  LEU  71          HD11      LEU  71 -25.129   0.591  -3.835
  545   2HD1  LEU  71          HD12      LEU  71 -25.365   0.751  -2.094
  546   3HD1  LEU  71          HD13      LEU  71 -23.819   0.182  -2.727
  547   1HD2  LEU  71          HD21      LEU  71 -23.285   3.749  -1.674
  548   2HD2  LEU  71          HD22      LEU  71 -22.903   2.081  -1.239
  549   3HD2  LEU  71          HD23      LEU  71 -24.508   2.736  -0.907
  550    H    ARG  72           HN       ARG  72 -25.460   1.363  -6.786
  551    HA   ARG  72           HA       ARG  72 -26.746   3.823  -7.316
  552   1HB   ARG  72          HB2       ARG  72 -27.080   1.713  -8.649
  553   2HB   ARG  72          HB1       ARG  72 -28.011   1.069  -7.304
  554   1HG   ARG  72          HG2       ARG  72 -29.653   2.851  -7.574
  555   2HG   ARG  72          HG1       ARG  72 -28.716   3.513  -8.915
  556   1HD   ARG  72          HD2       ARG  72 -29.003   1.391 -10.132
  557   2HD   ARG  72          HD1       ARG  72 -29.995   0.783  -8.806
  558    HE   ARG  72           HE       ARG  72 -30.973   3.249  -9.878
  559   1HH1  ARG  72          HH11      ARG  72 -30.925  -0.208 -10.305
  560   2HH1  ARG  72          HH12      ARG  72 -32.414  -0.249 -11.189
  561   1HH2  ARG  72          HH21      ARG  72 -32.934   3.205 -11.043
  562   2HH2  ARG  72          HH22      ARG  72 -33.556   1.690 -11.609
  563    H    ASN  73           HN       ASN  73 -27.915   5.055  -6.299
  564    HA   ASN  73           HA       ASN  73 -29.249   6.009  -4.780
  565   1HB   ASN  73          HB2       ASN  73 -29.753   3.155  -3.900
  566   2HB   ASN  73          HB1       ASN  73 -30.501   4.536  -3.106
  567   1HD2  ASN  73          HD21      ASN  73 -29.859   4.374  -6.541
  568   2HD2  ASN  73          HD22      ASN  73 -31.511   4.298  -7.038
  569    H    GLY  74           HN       GLY  74 -26.357   4.769  -4.382
  570   1HA   GLY  74          HA2       GLY  74 -26.194   5.771  -1.619
  571   2HA   GLY  74          HA1       GLY  74 -25.309   4.353  -2.148
  572    H    GLN  75           HN       GLN  75 -23.641   5.845  -1.108
  573    HA   GLN  75           HA       GLN  75 -22.251   7.214  -3.269
  574   1HB   GLN  75          HB2       GLN  75 -22.923   8.515  -0.631
  575   2HB   GLN  75          HB1       GLN  75 -21.674   9.117  -1.713
  576   1HG   GLN  75          HG2       GLN  75 -23.344   9.440  -3.465
  577   2HG   GLN  75          HG1       GLN  75 -24.596   8.836  -2.381
  578   1HE2  GLN  75          HE21      GLN  75 -25.747  10.760  -2.510
  579   2HE2  GLN  75          HE22      GLN  75 -25.224  12.199  -1.710
  580    H    VAL  76           HN       VAL  76 -20.951   5.322  -3.143
  581    HA   VAL  76           HA       VAL  76 -19.628   4.220  -1.040
  582    HB   VAL  76           HB       VAL  76 -18.354   4.770  -3.722
  583   1HG1  VAL  76          HG11      VAL  76 -16.913   3.936  -1.794
  584   2HG1  VAL  76          HG12      VAL  76 -16.896   2.979  -3.275
  585   3HG1  VAL  76          HG13      VAL  76 -17.845   2.442  -1.889
  586   1HG2  VAL  76          HG21      VAL  76 -20.107   2.480  -2.835
  587   2HG2  VAL  76          HG22      VAL  76 -19.250   2.578  -4.374
  588   3HG2  VAL  76          HG23      VAL  76 -20.533   3.730  -4.004
  589    H    GLU  77           HN       GLU  77 -18.498   5.157   0.560
  590    HA   GLU  77           HA       GLU  77 -17.207   7.696   0.212
  591   1HB   GLU  77          HB2       GLU  77 -18.263   7.133   2.338
  592   2HB   GLU  77          HB1       GLU  77 -17.174   5.767   2.539
  593   1HG   GLU  77          HG2       GLU  77 -16.357   7.506   3.912
  594   2HG   GLU  77          HG1       GLU  77 -15.276   7.402   2.527
  595    H    ILE  78           HN       ILE  78 -15.467   7.678  -1.076
  596    HA   ILE  78           HA       ILE  78 -13.283   5.814  -0.403
  597    HB   ILE  78           HB       ILE  78 -14.104   6.886  -3.098
  598   1HG1  ILE  78          HG12      ILE  78 -15.213   4.828  -2.315
  599   2HG1  ILE  78          HG11      ILE  78 -14.193   4.529  -3.717
  600   1HG2  ILE  78          HG21      ILE  78 -11.751   7.176  -3.060
  601   2HG2  ILE  78          HG22      ILE  78 -12.065   5.691  -3.960
  602   3HG2  ILE  78          HG23      ILE  78 -11.503   5.610  -2.290
  603   1HD1  ILE  78          HD11      ILE  78 -13.882   2.728  -2.219
  604   2HD1  ILE  78          HD12      ILE  78 -13.631   3.820  -0.856
  605   3HD1  ILE  78          HD13      ILE  78 -12.427   3.721  -2.141
  606    H    LYS  79           HN       LYS  79 -11.253   6.668  -0.142
  607    HA   LYS  79           HA       LYS  79 -10.644   9.369  -0.899
  608   1HB   LYS  79          HB2       LYS  79 -10.212  10.171   1.402
  609   2HB   LYS  79          HB1       LYS  79 -11.915   9.860   1.101
  610   1HG   LYS  79          HG2       LYS  79 -10.073   7.939   2.509
  611   2HG   LYS  79          HG1       LYS  79 -11.091   9.122   3.332
  612   1HD   LYS  79          HD2       LYS  79 -13.061   8.071   2.152
  613   2HD   LYS  79          HD1       LYS  79 -11.964   6.779   1.653
  614   1HE   LYS  79          HE2       LYS  79 -11.446   6.353   4.030
  615   2HE   LYS  79          HE1       LYS  79 -12.627   7.579   4.484
  616   1HZ   LYS  79          HZ1       LYS  79 -14.341   6.257   3.385
  617   2HZ   LYS  79          HZ2       LYS  79 -13.586   5.381   4.618
  618   3HZ   LYS  79          HZ3       LYS  79 -13.199   5.070   3.001
  619    H    THR  80           HN       THR  80  -9.728   6.662   1.199
  620    HA   THR  80           HA       THR  80  -6.940   7.324   1.107
  621    HB   THR  80           HB       THR  80  -6.592   5.271   2.355
  622    HG1  THR  80           HG1      THR  80  -8.250   3.802   2.653
  623   1HG2  THR  80          HG21      THR  80  -8.796   7.121   3.133
  624   2HG2  THR  80          HG22      THR  80  -7.210   6.877   3.873
  625   3HG2  THR  80          HG23      THR  80  -8.497   5.700   4.138
  626    H    ASP  81           HN       ASP  81  -8.641   6.523  -1.377
  627    HA   ASP  81           HA       ASP  81  -8.248   5.501  -3.380
  628   1HB   ASP  81          HB2       ASP  81  -5.493   5.400  -2.191
  629   2HB   ASP  81          HB1       ASP  81  -5.849   4.787  -3.804
  630    H    LEU  82           HN       LEU  82  -8.390   3.959  -0.595
  631    HA   LEU  82           HA       LEU  82  -8.871   1.826   0.016
  632   1HB   LEU  82          HB2       LEU  82  -8.659   1.269  -2.926
  633   2HB   LEU  82          HB1       LEU  82  -9.384   0.207  -1.732
  634    HG   LEU  82           HG       LEU  82 -10.737   2.608  -1.412
  635   1HD1  LEU  82          HD11      LEU  82 -10.292   2.055  -4.343
  636   2HD1  LEU  82          HD12      LEU  82  -9.827   3.509  -3.454
  637   3HD1  LEU  82          HD13      LEU  82 -11.533   3.126  -3.690
  638   1HD2  LEU  82          HD21      LEU  82 -11.476   0.181  -3.016
  639   2HD2  LEU  82          HD22      LEU  82 -12.599   1.371  -2.356
  640   3HD2  LEU  82          HD23      LEU  82 -11.637   0.366  -1.271
  641    H    SER  83           HN       SER  83  -6.441   2.416   0.610
  642    HA   SER  83           HA       SER  83  -4.489   0.712  -0.665
  643   1HB   SER  83          HB2       SER  83  -2.951   1.601   1.075
  644   2HB   SER  83          HB1       SER  83  -3.775   2.882   0.186
  645    HG   SER  83           HG       SER  83  -3.707   3.063   2.561
  646    H    PHE  84           HN       PHE  84  -6.403  -0.970   0.058
  647    HA   PHE  84           HA       PHE  84  -6.778  -2.940   1.132
  648   1HB   PHE  84          HB2       PHE  84  -4.279  -3.158   0.915
  649   2HB   PHE  84          HB1       PHE  84  -4.135  -2.477   2.531
  650    HD1  PHE  84           HD1      PHE  84  -4.032  -3.889   4.330
  651    HD2  PHE  84           HD2      PHE  84  -5.829  -5.272   0.728
  652    HE1  PHE  84           HE1      PHE  84  -4.255  -6.133   5.307
  653    HE2  PHE  84           HE2      PHE  84  -6.057  -7.518   1.700
  654    HZ   PHE  84           HZ       PHE  84  -5.270  -7.953   3.993
  655    H    GLY  85           HN       GLY  85  -6.785  -3.870   3.575
  656   1HA   GLY  85          HA2       GLY  85  -8.083  -3.638   5.477
  657   2HA   GLY  85          HA1       GLY  85  -6.871  -2.416   5.827
  658    H    SER  86           HN       SER  86  -9.171  -2.154   3.201
  659    HA   SER  86           HA       SER  86 -10.292   0.207   4.524
  660   1HB   SER  86          HB2       SER  86 -11.047   0.877   2.274
  661   2HB   SER  86          HB1       SER  86  -9.306   0.599   2.318
  662    HG   SER  86           HG       SER  86 -10.951  -1.547   1.635
  663    H    GLN  87           HN       GLN  87 -12.404   0.452   4.925
  664    HA   GLN  87           HA       GLN  87 -14.101  -1.910   4.472
  665   1HB   GLN  87          HB2       GLN  87 -14.912   0.160   6.451
  666   2HB   GLN  87          HB1       GLN  87 -15.185  -1.576   6.473
  667   1HG   GLN  87          HG2       GLN  87 -13.697  -1.309   8.195
  668   2HG   GLN  87          HG1       GLN  87 -12.621  -1.712   6.855
  669   1HE2  GLN  87          HE21      GLN  87 -14.203   1.361   7.109
  670   2HE2  GLN  87          HE22      GLN  87 -12.796   2.293   7.470
  671    H    ILE  88           HN       ILE  88 -13.938   1.576   4.451
  672    HA   ILE  88           HA       ILE  88 -15.131   3.199   3.435
  673    HB   ILE  88           HB       ILE  88 -15.714   2.867   1.069
  674   1HG1  ILE  88          HG12      ILE  88 -14.728   0.030   1.446
  675   2HG1  ILE  88          HG11      ILE  88 -16.418   0.479   1.240
  676   1HG2  ILE  88          HG21      ILE  88 -13.414   2.392   0.288
  677   2HG2  ILE  88          HG22      ILE  88 -13.009   1.855   1.920
  678   3HG2  ILE  88          HG23      ILE  88 -13.479   3.531   1.632
  679   1HD1  ILE  88          HD11      ILE  88 -14.223   0.919  -0.769
  680   2HD1  ILE  88          HD12      ILE  88 -15.918   1.362  -0.975
  681   3HD1  ILE  88          HD13      ILE  88 -15.460  -0.335  -0.834
  682    H    GLU  89           HN       GLU  89 -16.858   3.539   4.676
  683    HA   GLU  89           HA       GLU  89 -19.118   1.847   4.781
  684   1HB   GLU  89          HB2       GLU  89 -18.375   4.520   5.830
  685   2HB   GLU  89          HB1       GLU  89 -20.088   4.160   5.725
  686   1HG   GLU  89          HG2       GLU  89 -19.698   2.115   7.051
  687   2HG   GLU  89          HG1       GLU  89 -18.010   2.593   7.228
  688    H    PHE  90           HN       PHE  90 -21.007   1.886   3.708
  689    HA   PHE  90           HA       PHE  90 -21.191   3.638   1.375
  690   1HB   PHE  90          HB2       PHE  90 -22.933   1.275   2.108
  691   2HB   PHE  90          HB1       PHE  90 -22.844   2.081   0.545
  692    HD1  PHE  90           HD1      PHE  90 -20.937   1.736  -0.927
  693    HD2  PHE  90           HD2      PHE  90 -21.238  -0.269   2.816
  694    HE1  PHE  90           HE1      PHE  90 -19.172   0.173  -1.626
  695    HE2  PHE  90           HE2      PHE  90 -19.473  -1.833   2.122
  696    HZ   PHE  90           HZ       PHE  90 -18.436  -1.613  -0.100
  697    H    SER  91           HN       SER  91 -23.046   4.947   0.995
  698    HA   SER  91           HA       SER  91 -24.796   5.290   3.334
  699   1HB   SER  91          HB2       SER  91 -24.770   7.749   2.870
  700   2HB   SER  91          HB1       SER  91 -23.220   7.104   3.411
  701    HG   SER  91           HG       SER  91 -23.744   7.233   0.663
  702    H    CYS  92           HN       CYS  92 -26.816   4.928   2.842
  703    HA   CYS  92           HA       CYS  92 -27.684   5.096   0.068
  704   1HB   CYS  92          HB2       CYS  92 -29.104   4.158   2.571
  705   2HB   CYS  92          HB1       CYS  92 -29.873   4.242   0.989
  706    H    SER  93           HN       SER  93 -28.451   6.907  -0.750
  707    HA   SER  93           HA       SER  93 -28.660   9.317   0.506
  708   1HB   SER  93          HB2       SER  93 -30.287   9.931  -1.371
  709   2HB   SER  93          HB1       SER  93 -28.699   9.324  -1.854
  710    HG   SER  93           HG       SER  93 -30.303   8.284  -3.041
  711    H    GLU  94           HN       GLU  94 -30.616  10.695   0.756
  712    HA   GLU  94           HA       GLU  94 -32.162  10.025   2.874
  713   1HB   GLU  94          HB2       GLU  94 -32.156  12.277   2.170
  714   2HB   GLU  94          HB1       GLU  94 -32.714  11.861   0.554
  715   1HG   GLU  94          HG2       GLU  94 -34.899  11.357   1.371
  716   2HG   GLU  94          HG1       GLU  94 -34.372  11.557   3.041
  717    H    GLY  95           HN       GLY  95 -34.293   9.304   3.203
  718   1HA   GLY  95          HA2       GLY  95 -36.204   8.084   2.799
  719   2HA   GLY  95          HA1       GLY  95 -35.905   8.272   1.079
  720    H    PHE  96           HN       PHE  96 -33.168   7.068   1.373
  721    HA   PHE  96           HA       PHE  96 -34.071   4.265   1.526
  722   1HB   PHE  96          HB2       PHE  96 -31.715   5.292  -0.066
  723   2HB   PHE  96          HB1       PHE  96 -32.462   3.702  -0.157
  724    HD1  PHE  96           HD1      PHE  96 -34.835   3.550  -1.046
  725    HD2  PHE  96           HD2      PHE  96 -32.407   7.017  -1.465
  726    HE1  PHE  96           HE1      PHE  96 -36.268   4.324  -2.889
  727    HE2  PHE  96           HE2      PHE  96 -33.836   7.801  -3.309
  728    HZ   PHE  96           HZ       PHE  96 -35.769   6.453  -4.023
  729    H    PHE  97           HN       PHE  97 -32.975   2.892   2.838
  730    HA   PHE  97           HA       PHE  97 -30.717   4.042   4.331
  731   1HB   PHE  97          HB2       PHE  97 -31.299   2.606   6.183
  732   2HB   PHE  97          HB1       PHE  97 -32.723   3.506   5.683
  733    HD1  PHE  97           HD1      PHE  97 -34.276   2.260   3.971
  734    HD2  PHE  97           HD2      PHE  97 -31.489   0.352   6.558
  735    HE1  PHE  97           HE1      PHE  97 -35.555   0.166   3.795
  736    HE2  PHE  97           HE2      PHE  97 -32.763  -1.747   6.387
  737    HZ   PHE  97           HZ       PHE  97 -34.799  -1.840   5.005
  738    H    LEU  98           HN       LEU  98 -29.195   2.424   5.216
  739    HA   LEU  98           HA       LEU  98 -28.179   0.849   3.005
  740   1HB   LEU  98          HB2       LEU  98 -26.811   2.405   4.484
  741   2HB   LEU  98          HB1       LEU  98 -26.957   1.194   5.740
  742    HG   LEU  98           HG       LEU  98 -24.796   1.132   4.511
  743   1HD1  LEU  98          HD11      LEU  98 -26.491  -1.339   4.229
  744   2HD1  LEU  98          HD12      LEU  98 -25.619  -0.840   5.677
  745   3HD1  LEU  98          HD13      LEU  98 -24.729  -1.282   4.220
  746   1HD2  LEU  98          HD21      LEU  98 -26.467   0.172   2.197
  747   2HD2  LEU  98          HD22      LEU  98 -24.706   0.261   2.261
  748   3HD2  LEU  98          HD23      LEU  98 -25.666   1.740   2.300
  749    H    ILE  99           HN       ILE  99 -28.035  -1.306   2.906
  750    HA   ILE  99           HA       ILE  99 -28.462  -3.029   5.205
  751    HB   ILE  99           HB       ILE  99 -30.107  -3.921   2.974
  752   1HG1  ILE  99          HG12      ILE  99 -31.211  -1.585   4.504
  753   2HG1  ILE  99          HG11      ILE  99 -30.381  -1.371   2.967
  754   1HG2  ILE  99          HG21      ILE  99 -31.706  -4.366   4.774
  755   2HG2  ILE  99          HG22      ILE  99 -30.664  -3.500   5.902
  756   3HG2  ILE  99          HG23      ILE  99 -30.099  -4.987   5.142
  757   1HD1  ILE  99          HD11      ILE  99 -32.852  -3.023   3.420
  758   2HD1  ILE  99          HD12      ILE  99 -32.013  -2.822   1.882
  759   3HD1  ILE  99          HD13      ILE  99 -32.780  -1.435   2.655
  760    H    GLY 100           HN       GLY 100 -27.119  -4.631   5.031
  761   1HA   GLY 100          HA2       GLY 100 -26.567  -6.534   3.338
  762   2HA   GLY 100          HA1       GLY 100 -25.852  -5.188   2.450
  763    H    SER 101           HN       SER 101 -24.460  -3.774   3.880
  764    HA   SER 101           HA       SER 101 -23.067  -4.659   6.101
  765   1HB   SER 101          HB2       SER 101 -21.017  -5.550   5.199
  766   2HB   SER 101          HB1       SER 101 -22.340  -6.468   4.481
  767    HG   SER 101           HG       SER 101 -20.569  -5.593   3.065
  768    H    THR 102           HN       THR 102 -22.919  -2.520   6.720
  769    HA   THR 102           HA       THR 102 -22.546  -0.394   4.926
  770    HB   THR 102           HB       THR 102 -22.035   0.985   6.918
  771    HG1  THR 102           HG1      THR 102 -21.235  -1.308   7.930
  772   1HG2  THR 102          HG21      THR 102 -24.336  -0.912   7.384
  773   2HG2  THR 102          HG22      THR 102 -24.379   0.505   6.335
  774   3HG2  THR 102          HG23      THR 102 -24.156   0.700   8.073
  775    H    THR 103           HN       THR 103 -20.394  -2.733   5.987
  776    HA   THR 103           HA       THR 103 -18.157  -1.003   5.212
  777    HB   THR 103           HB       THR 103 -16.693  -2.304   6.611
  778    HG1  THR 103           HG1      THR 103 -17.302  -4.139   7.514
  779   1HG2  THR 103          HG21      THR 103 -17.578  -0.405   7.701
  780   2HG2  THR 103          HG22      THR 103 -17.693  -1.728   8.864
  781   3HG2  THR 103          HG23      THR 103 -19.126  -1.203   7.980
  782    H    SER 104           HN       SER 104 -16.360  -2.170   4.195
  783    HA   SER 104           HA       SER 104 -16.904  -4.764   3.077
  784   1HB   SER 104          HB2       SER 104 -16.819  -2.270   1.372
  785   2HB   SER 104          HB1       SER 104 -16.444  -3.866   0.720
  786    HG   SER 104           HG       SER 104 -18.499  -4.226   0.617
  787    H    ARG 105           HN       ARG 105 -15.081  -5.776   3.376
  788    HA   ARG 105           HA       ARG 105 -12.578  -4.273   3.592
  789   1HB   ARG 105          HB2       ARG 105 -13.163  -7.167   4.243
  790   2HB   ARG 105          HB1       ARG 105 -11.657  -6.322   4.579
  791   1HG   ARG 105          HG2       ARG 105 -12.875  -4.790   6.070
  792   2HG   ARG 105          HG1       ARG 105 -14.353  -5.707   5.770
  793   1HD   ARG 105          HD2       ARG 105 -11.825  -6.854   6.946
  794   2HD   ARG 105          HD1       ARG 105 -13.220  -6.325   7.886
  795    HE   ARG 105           HE       ARG 105 -14.103  -8.164   5.977
  796   1HH1  ARG 105          HH11      ARG 105 -12.092  -8.075   8.822
  797   2HH1  ARG 105          HH12      ARG 105 -12.417  -9.718   9.260
  798   1HH2  ARG 105          HH21      ARG 105 -14.537 -10.327   6.547
  799   2HH2  ARG 105          HH22      ARG 105 -13.807 -10.998   7.967
  800    H    CYS 106           HN       CYS 106 -10.582  -5.370   2.766
  801    HA   CYS 106           HA       CYS 106 -11.041  -6.415   0.052
  802   1HB   CYS 106          HB2       CYS 106  -8.877  -4.593   1.112
  803   2HB   CYS 106          HB1       CYS 106  -8.746  -5.424  -0.434
  804    H    GLU 107           HN       GLU 107 -10.461  -8.472  -0.141
  805    HA   GLU 107           HA       GLU 107  -8.514  -9.548   1.758
  806   1HB   GLU 107          HB2       GLU 107 -10.771 -10.531   1.778
  807   2HB   GLU 107          HB1       GLU 107 -10.570 -11.005   0.094
  808   1HG   GLU 107          HG2       GLU 107  -8.748 -12.481   0.689
  809   2HG   GLU 107          HG1       GLU 107  -8.854 -11.967   2.373
  810    H    VAL 108           HN       VAL 108  -6.580  -9.668   1.012
  811    HA   VAL 108           HA       VAL 108  -6.061  -9.879  -1.840
  812    HB   VAL 108           HB       VAL 108  -4.330  -9.382   0.550
  813   1HG1  VAL 108          HG11      VAL 108  -2.321  -9.651  -0.678
  814   2HG1  VAL 108          HG12      VAL 108  -3.193  -9.882  -2.193
  815   3HG1  VAL 108          HG13      VAL 108  -3.248 -11.129  -0.944
  816   1HG2  VAL 108          HG21      VAL 108  -5.544  -7.586  -0.782
  817   2HG2  VAL 108          HG22      VAL 108  -4.405  -7.936  -2.086
  818   3HG2  VAL 108          HG23      VAL 108  -3.813  -7.356  -0.527
  819    H    GLN 109           HN       GLN 109  -5.957 -11.754  -2.818
  820    HA   GLN 109           HA       GLN 109  -4.693 -14.025  -1.507
  821   1HB   GLN 109          HB2       GLN 109  -6.658 -15.490  -2.155
  822   2HB   GLN 109          HB1       GLN 109  -6.918 -14.397  -0.803
  823   1HG   GLN 109          HG2       GLN 109  -7.961 -12.801  -2.470
  824   2HG   GLN 109          HG1       GLN 109  -7.947 -14.148  -3.609
  825   1HE2  GLN 109          HE21      GLN 109 -10.195 -12.670  -2.385
  826   2HE2  GLN 109          HE22      GLN 109 -11.168 -13.874  -1.618
  827    H    ASP 110           HN       ASP 110  -3.432 -12.849  -3.437
  828    HA   ASP 110           HA       ASP 110  -3.032 -14.761  -5.401
  829   1HB   ASP 110          HB2       ASP 110  -5.279 -13.941  -6.199
  830   2HB   ASP 110          HB1       ASP 110  -4.527 -12.378  -6.504
  831    H    ARG 111           HN       ARG 111  -3.229 -11.379  -6.206
  832    HA   ARG 111           HA       ARG 111  -0.744 -10.502  -5.333
  833   1HB   ARG 111          HB2       ARG 111   0.659 -10.655  -7.249
  834   2HB   ARG 111          HB1       ARG 111   0.018 -12.266  -6.959
  835   1HG   ARG 111          HG2       ARG 111  -1.596 -11.987  -8.733
  836   2HG   ARG 111          HG1       ARG 111  -1.048 -10.330  -8.997
  837   1HD   ARG 111          HD2       ARG 111   1.197 -11.199  -9.552
  838   2HD   ARG 111          HD1       ARG 111   0.577 -12.841  -9.377
  839    HE   ARG 111           HE       ARG 111  -1.027 -11.459 -11.215
  840   1HH1  ARG 111          HH11      ARG 111   2.199 -12.741 -10.917
  841   2HH1  ARG 111          HH12      ARG 111   2.387 -13.009 -12.618
  842   1HH2  ARG 111          HH21      ARG 111  -0.788 -11.808 -13.454
  843   2HH2  ARG 111          HH22      ARG 111   0.689 -12.478 -14.060
  844    H    GLY 112           HN       GLY 112  -3.674 -10.111  -6.622
  845   1HA   GLY 112          HA2       GLY 112  -3.085  -7.342  -7.439
  846   2HA   GLY 112          HA1       GLY 112  -4.204  -8.338  -8.358
  847    H    VAL 113           HN       VAL 113  -4.229  -8.833  -4.993
  848    HA   VAL 113           HA       VAL 113  -5.679  -8.298  -3.315
  849    HB   VAL 113           HB       VAL 113  -6.575  -5.886  -4.835
  850   1HG1  VAL 113          HG11      VAL 113  -7.695  -5.761  -2.881
  851   2HG1  VAL 113          HG12      VAL 113  -6.164  -5.084  -2.316
  852   3HG1  VAL 113          HG13      VAL 113  -6.537  -6.786  -2.031
  853   1HG2  VAL 113          HG21      VAL 113  -4.591  -4.725  -3.791
  854   2HG2  VAL 113          HG22      VAL 113  -4.201  -5.832  -5.107
  855   3HG2  VAL 113          HG23      VAL 113  -3.942  -6.328  -3.433
  856    H    GLY 114           HN       GLY 114  -7.740  -8.724  -2.725
  857   1HA   GLY 114          HA2       GLY 114  -9.608  -9.140  -4.971
  858   2HA   GLY 114          HA1       GLY 114  -9.281 -10.456  -3.875
  859    H    TRP 115           HN       TRP 115 -11.045  -7.480  -4.325
  860    HA   TRP 115           HA       TRP 115 -12.149  -6.955  -1.925
  861   1HB   TRP 115          HB2       TRP 115 -13.213  -6.855  -4.690
  862   2HB   TRP 115          HB1       TRP 115 -14.408  -6.788  -3.403
  863    HD1  TRP 115           HD1      TRP 115 -12.123  -4.597  -5.320
  864    HE1  TRP 115           HE1      TRP 115 -12.019  -2.258  -4.233
  865    HE3  TRP 115           HE3      TRP 115 -14.377  -5.665  -0.871
  866    HZ2  TRP 115           HZ2      TRP 115 -12.788  -1.044  -1.821
  867    HZ3  TRP 115           HZ3      TRP 115 -14.654  -3.863   0.773
  868    HH2  TRP 115           HH2      TRP 115 -13.876  -1.598   0.311
  869    H    SER 116           HN       SER 116 -14.049  -7.604  -0.782
  870    HA   SER 116           HA       SER 116 -14.629 -10.471  -1.110
  871   1HB   SER 116          HB2       SER 116 -14.866  -8.743   1.368
  872   2HB   SER 116          HB1       SER 116 -15.204 -10.472   1.283
  873    HG   SER 116           HG       SER 116 -12.701  -9.500   0.458
  874    H    HIS 117           HN       HIS 117 -16.093  -7.301  -0.553
  875    HA   HIS 117           HA       HIS 117 -18.584  -8.239  -1.696
  876   1HB   HIS 117          HB2       HIS 117 -18.754  -8.744   0.760
  877   2HB   HIS 117          HB1       HIS 117 -18.613  -7.017   1.071
  878    HD1  HIS 117           HD1      HIS 117 -21.012  -9.620  -0.024
  879    HD2  HIS 117           HD2      HIS 117 -20.870  -5.481   0.298
  880    HE1  HIS 117           HE1      HIS 117 -23.395  -8.846  -0.242
  881    HE2  HIS 117           HE2      HIS 117 -23.276  -6.334  -0.110
  882    HA   PRO 118           HA       PRO 118 -18.352  -3.958  -2.920
  883   1HB   PRO 118          HB2       PRO 118 -20.030  -4.100  -4.975
  884   2HB   PRO 118          HB1       PRO 118 -18.496  -4.975  -5.003
  885   1HG   PRO 118          HG2       PRO 118 -21.256  -5.999  -4.568
  886   2HG   PRO 118          HG1       PRO 118 -19.874  -6.789  -5.343
  887   1HD   PRO 118          HD2       PRO 118 -20.769  -7.123  -2.666
  888   2HD   PRO 118          HD1       PRO 118 -19.288  -7.778  -3.392
  889    H    LEU 119           HN       LEU 119 -20.715  -2.903  -4.236
  890    HA   LEU 119           HA       LEU 119 -21.940  -1.407  -2.303
  891   1HB   LEU 119          HB2       LEU 119 -23.295  -2.329  -4.813
  892   2HB   LEU 119          HB1       LEU 119 -23.523  -0.822  -3.969
  893    HG   LEU 119           HG       LEU 119 -22.244  -0.120  -5.725
  894   1HD1  LEU 119          HD11      LEU 119 -20.223  -1.022  -3.701
  895   2HD1  LEU 119          HD12      LEU 119 -21.059   0.528  -3.751
  896   3HD1  LEU 119          HD13      LEU 119 -19.893   0.114  -5.008
  897   1HD2  LEU 119          HD21      LEU 119 -20.379  -1.460  -6.699
  898   2HD2  LEU 119          HD22      LEU 119 -21.976  -2.190  -6.862
  899   3HD2  LEU 119          HD23      LEU 119 -20.856  -2.783  -5.635
  900    HA   PRO 120           HA       PRO 120 -24.614  -4.361  -0.248
  901   1HB   PRO 120          HB2       PRO 120 -25.776  -2.043   1.102
  902   2HB   PRO 120          HB1       PRO 120 -24.822  -3.364   1.779
  903   1HG   PRO 120          HG2       PRO 120 -23.868  -0.845   1.581
  904   2HG   PRO 120          HG1       PRO 120 -22.826  -2.273   1.442
  905   1HD   PRO 120          HD2       PRO 120 -23.963  -0.539  -0.725
  906   2HD   PRO 120          HD1       PRO 120 -22.328  -1.217  -0.567
  907    H    GLN 121           HN       GLN 121 -27.092  -2.624   0.676
  908    HA   GLN 121           HA       GLN 121 -28.529  -2.618  -1.884
  909   1HB   GLN 121          HB2       GLN 121 -28.848  -4.778  -0.489
  910   2HB   GLN 121          HB1       GLN 121 -29.809  -3.768   0.578
  911   1HG   GLN 121          HG2       GLN 121 -31.289  -3.199  -1.271
  912   2HG   GLN 121          HG1       GLN 121 -30.324  -4.199  -2.355
  913   1HE2  GLN 121          HE21      GLN 121 -32.614  -4.175   0.251
  914   2HE2  GLN 121          HE22      GLN 121 -33.036  -5.848   0.169
  915    H    CYS 122           HN       CYS 122 -29.416  -0.678  -2.158
  916    HA   CYS 122           HA       CYS 122 -30.153   0.870   0.227
  917   1HB   CYS 122          HB2       CYS 122 -29.504   1.673  -2.603
  918   2HB   CYS 122          HB1       CYS 122 -30.330   2.771  -1.504
  919    H    GLU 123           HN       GLU 123 -32.231   0.551   0.800
  920    HA   GLU 123           HA       GLU 123 -34.278   0.580  -1.322
  921   1HB   GLU 123          HB2       GLU 123 -34.003  -1.712  -0.487
  922   2HB   GLU 123          HB1       GLU 123 -34.220  -1.146   1.163
  923   1HG   GLU 123          HG2       GLU 123 -36.500  -0.518   0.693
  924   2HG   GLU 123          HG1       GLU 123 -36.298  -0.949  -1.004
  925    H    ILE 124           HN       ILE 124 -36.184   1.589  -0.852
  926    HA   ILE 124           HA       ILE 124 -35.980   3.813   0.904
  927    HB   ILE 124           HB       ILE 124 -37.263   3.956  -1.163
  928   1HG1  ILE 124          HG12      ILE 124 -39.075   4.242   1.245
  929   2HG1  ILE 124          HG11      ILE 124 -37.845   5.411   0.775
  930   1HG2  ILE 124          HG21      ILE 124 -38.103   1.700  -1.298
  931   2HG2  ILE 124          HG22      ILE 124 -39.453   2.834  -1.352
  932   3HG2  ILE 124          HG23      ILE 124 -39.102   1.952   0.134
  933   1HD1  ILE 124          HD11      ILE 124 -40.295   4.648  -0.793
  934   2HD1  ILE 124          HD12      ILE 124 -39.028   5.734  -1.366
  935   3HD1  ILE 124          HD13      ILE 124 -39.995   6.173   0.042
  936    H    LEU 125           HN       LEU 125 -36.979   4.231   2.829
  937    HA   LEU 125           HA       LEU 125 -37.368   2.129   4.625
  938   1HB   LEU 125          HB2       LEU 125 -38.289   4.998   4.760
  939   2HB   LEU 125          HB1       LEU 125 -38.344   3.882   6.111
  940    HG   LEU 125           HG       LEU 125 -35.796   4.663   4.692
  941   1HD1  LEU 125          HD11      LEU 125 -37.089   5.806   7.159
  942   2HD1  LEU 125          HD12      LEU 125 -36.664   6.654   5.672
  943   3HD1  LEU 125          HD13      LEU 125 -35.394   6.049   6.735
  944   1HD2  LEU 125          HD21      LEU 125 -36.200   3.403   7.399
  945   2HD2  LEU 125          HD22      LEU 125 -34.675   3.664   6.548
  946   3HD2  LEU 125          HD23      LEU 125 -35.843   2.493   5.931
  947    H    GLU 126           HN       GLU 126 -39.824   4.311   3.222
  948    HA   GLU 126           HA       GLU 126 -41.884   2.342   3.935
  949   1HB   GLU 126          HB2       GLU 126 -42.117   4.702   4.746
  950   2HB   GLU 126          HB1       GLU 126 -42.259   5.213   3.070
  951   1HG   GLU 126          HG2       GLU 126 -44.281   3.906   2.811
  952   2HG   GLU 126          HG1       GLU 126 -44.124   3.305   4.462
  953    H    HIS 127           HN       HIS 127 -43.669   2.035   2.379
  954    HA   HIS 127           HA       HIS 127 -44.437   1.343   0.357
  955   1HB   HIS 127          HB2       HIS 127 -42.805   3.732  -0.497
  956   2HB   HIS 127          HB1       HIS 127 -43.760   2.786  -1.634
  957    HD1  HIS 127           HD1      HIS 127 -46.319   3.027  -1.526
  958    HD2  HIS 127           HD2      HIS 127 -44.287   5.356   1.251
  959    HE1  HIS 127           HE1      HIS 127 -48.027   4.636  -0.621
  960    HE2  HIS 127           HE2      HIS 127 -46.772   6.044   1.049
  961    H    HIS 128           HN       HIS 128 -43.593  -0.674   0.139
  962    HA   HIS 128           HA       HIS 128 -40.879  -0.994  -0.878
  963   1HB   HIS 128          HB2       HIS 128 -42.931  -2.971   0.121
  964   2HB   HIS 128          HB1       HIS 128 -41.382  -3.453  -0.562
  965    HD1  HIS 128           HD1      HIS 128 -39.401  -3.439   0.972
  966    HD2  HIS 128           HD2      HIS 128 -42.685  -1.473   2.590
  967    HE1  HIS 128           HE1      HIS 128 -38.780  -2.944   3.358
  968    HE2  HIS 128           HE2      HIS 128 -40.749  -1.680   4.292
  969    H    HIS 129           HN       HIS 129 -40.458  -2.459  -2.680
  970    HA   HIS 129           HA       HIS 129 -40.674  -3.084  -4.853
  971   1HB   HIS 129          HB2       HIS 129 -42.424  -4.564  -4.005
  972   2HB   HIS 129          HB1       HIS 129 -43.606  -3.266  -4.127
  973    HD1  HIS 129           HD1      HIS 129 -44.698  -2.890  -6.372
  974    HD2  HIS 129           HD2      HIS 129 -41.558  -5.606  -6.533
  975    HE1  HIS 129           HE1      HIS 129 -44.808  -3.907  -8.668
  976    HE2  HIS 129           HE2      HIS 129 -42.954  -5.613  -8.711
  977    H    HIS 130           HN       HIS 130 -40.109  -1.434  -6.131
  978    HA   HIS 130           HA       HIS 130 -42.226   0.236  -7.218
  979   1HB   HIS 130          HB2       HIS 130 -41.326   1.501  -5.271
  980   2HB   HIS 130          HB1       HIS 130 -39.735   1.469  -6.024
  981    HD1  HIS 130           HD1      HIS 130 -43.047   3.152  -6.204
  982    HD2  HIS 130           HD2      HIS 130 -39.431   3.178  -8.249
  983    HE1  HIS 130           HE1      HIS 130 -43.125   5.186  -7.678
  984    HE2  HIS 130           HE2      HIS 130 -40.963   5.133  -8.972
  985    H    HIS 131           HN       HIS 131 -38.685  -0.199  -7.191
  986    HA   HIS 131           HA       HIS 131 -38.597   0.295 -10.062
  987   1HB   HIS 131          HB2       HIS 131 -36.405  -0.142  -8.024
  988   2HB   HIS 131          HB1       HIS 131 -36.119   0.142  -9.738
  989    HD1  HIS 131           HD1      HIS 131 -37.013   1.870  -6.575
  990    HD2  HIS 131           HD2      HIS 131 -36.629   2.785 -10.611
  991    HE1  HIS 131           HE1      HIS 131 -37.003   4.382  -6.697
  992    HE2  HIS 131           HE2      HIS 131 -36.830   4.913  -9.154
  993    H    HIS 132           HN       HIS 132 -37.973  -1.196 -11.586
  994    HA   HIS 132           HA       HIS 132 -37.767  -3.231 -12.574
  995   1HB   HIS 132          HB2       HIS 132 -35.652  -3.290 -11.316
  996   2HB   HIS 132          HB1       HIS 132 -36.491  -3.995  -9.938
  997    HD1  HIS 132           HD1      HIS 132 -36.804  -6.490  -9.930
  998    HD2  HIS 132           HD2      HIS 132 -35.455  -5.052 -13.587
  999    HE1  HIS 132           HE1      HIS 132 -36.217  -8.530 -11.277
 1000    HE2  HIS 132           HE2      HIS 132 -35.303  -7.631 -13.446
  Start of MODEL   38
    1   1H    MET   0           HT1      MET   0  35.495  -2.358  -5.094
    2   2H    MET   0           HT2      MET   0  34.810  -1.244  -4.021
    3   3H    MET   0           HT3      MET   0  34.012  -1.631  -5.461
    4    HA   MET   0           HA       MET   0  33.672  -3.885  -4.726
    5   1HB   MET   0          HB2       MET   0  34.228  -4.487  -2.395
    6   2HB   MET   0          HB1       MET   0  35.661  -4.117  -3.346
    7   1HG   MET   0          HG2       MET   0  35.708  -1.867  -2.355
    8   2HG   MET   0          HG1       MET   0  34.315  -2.296  -1.363
    9   1HE   MET   0          HE1       MET   0  37.310  -2.179   1.188
   10   2HE   MET   0          HE2       MET   0  35.697  -1.565   0.822
   11   3HE   MET   0          HE3       MET   0  37.058  -1.148  -0.220
   12    H    ASN   1           HN       ASN   1  32.915  -0.779  -4.091
   13    HA   ASN   1           HA       ASN   1  31.044  -0.915  -2.000
   14   1HB   ASN   1          HB2       ASN   1  31.680   0.984  -4.172
   15   2HB   ASN   1          HB1       ASN   1  30.043   1.083  -3.528
   16   1HD2  ASN   1          HD21      ASN   1  29.745   1.577  -1.346
   17   2HD2  ASN   1          HD22      ASN   1  30.969   2.369  -0.421
   18    H    CYS   2           HN       CYS   2  28.642  -0.221  -2.562
   19    HA   CYS   2           HA       CYS   2  27.539  -2.489  -3.995
   20   1HB   CYS   2          HB2       CYS   2  25.446  -0.878  -3.064
   21   2HB   CYS   2          HB1       CYS   2  26.060  -2.355  -2.327
   22    H    GLY   3           HN       GLY   3  28.141   0.813  -4.603
   23   1HA   GLY   3          HA2       GLY   3  27.893   1.836  -6.715
   24   2HA   GLY   3          HA1       GLY   3  26.693   0.620  -7.137
   25    HA   PRO   4           HA       PRO   4  25.008   4.992  -5.637
   26   1HB   PRO   4          HB2       PRO   4  23.917   4.649  -8.408
   27   2HB   PRO   4          HB1       PRO   4  24.320   6.135  -7.539
   28   1HG   PRO   4          HG2       PRO   4  25.990   5.178  -9.364
   29   2HG   PRO   4          HG1       PRO   4  26.614   5.839  -7.842
   30   1HD   PRO   4          HD2       PRO   4  26.382   3.001  -8.721
   31   2HD   PRO   4          HD1       PRO   4  27.597   3.766  -7.678
   32    HA   PRO   5           HA       PRO   5  21.539   2.591  -4.190
   33   1HB   PRO   5          HB2       PRO   5  20.415   5.309  -3.730
   34   2HB   PRO   5          HB1       PRO   5  20.552   3.944  -2.618
   35   1HG   PRO   5          HG2       PRO   5  22.200   6.016  -2.413
   36   2HG   PRO   5          HG1       PRO   5  22.791   4.360  -2.177
   37   1HD   PRO   5          HD2       PRO   5  23.105   6.172  -4.536
   38   2HD   PRO   5          HD1       PRO   5  24.265   5.028  -3.832
   39    HA   PRO   6           HA       PRO   6  18.844   2.838  -7.731
   40   1HB   PRO   6          HB2       PRO   6  17.164   0.851  -7.025
   41   2HB   PRO   6          HB1       PRO   6  18.807   0.534  -7.593
   42   1HG   PRO   6          HG2       PRO   6  17.729   0.570  -4.806
   43   2HG   PRO   6          HG1       PRO   6  18.886  -0.550  -5.544
   44   1HD   PRO   6          HD2       PRO   6  19.601   1.539  -3.924
   45   2HD   PRO   6          HD1       PRO   6  20.657   0.847  -5.170
   46    H    THR   7           HN       THR   7  16.458   2.722  -8.059
   47    HA   THR   7           HA       THR   7  15.127   4.652  -6.289
   48    HB   THR   7           HB       THR   7  15.340   5.369  -8.592
   49    HG1  THR   7           HG1      THR   7  13.450   6.145  -7.899
   50   1HG2  THR   7          HG21      THR   7  13.753   2.923  -9.364
   51   2HG2  THR   7          HG22      THR   7  15.490   3.112  -9.606
   52   3HG2  THR   7          HG23      THR   7  14.361   4.175 -10.447
   53    H    LEU   8           HN       LEU   8  14.810   2.512  -4.882
   54    HA   LEU   8           HA       LEU   8  13.395   0.292  -5.752
   55   1HB   LEU   8          HB2       LEU   8  13.370   1.694  -3.081
   56   2HB   LEU   8          HB1       LEU   8  12.604   0.146  -3.368
   57    HG   LEU   8           HG       LEU   8  14.911  -0.693  -4.074
   58   1HD1  LEU   8          HD11      LEU   8  15.960   1.494  -4.367
   59   2HD1  LEU   8          HD12      LEU   8  16.812   0.531  -3.159
   60   3HD1  LEU   8          HD13      LEU   8  15.736   1.834  -2.651
   61   1HD2  LEU   8          HD21      LEU   8  13.824  -1.290  -1.972
   62   2HD2  LEU   8          HD22      LEU   8  14.459   0.174  -1.223
   63   3HD2  LEU   8          HD23      LEU   8  15.563  -1.094  -1.757
   64    H    SER   9           HN       SER   9  11.421   0.125  -6.605
   65    HA   SER   9           HA       SER   9   9.627   2.330  -6.655
   66   1HB   SER   9          HB2       SER   9   9.145  -0.576  -7.378
   67   2HB   SER   9          HB1       SER   9   8.065   0.762  -7.768
   68    HG   SER   9           HG       SER   9   9.385   0.337  -9.532
   69    H    PHE  10           HN       PHE  10  10.229  -0.127  -4.388
   70    HA   PHE  10           HA       PHE  10   7.609   0.269  -3.125
   71   1HB   PHE  10          HB2       PHE  10   8.626  -1.734  -1.671
   72   2HB   PHE  10          HB1       PHE  10   7.748  -2.002  -3.172
   73    HD1  PHE  10           HD1      PHE  10   8.754  -3.076  -4.972
   74    HD2  PHE  10           HD2      PHE  10  11.157  -1.636  -1.769
   75    HE1  PHE  10           HE1      PHE  10  10.702  -4.249  -5.912
   76    HE2  PHE  10           HE2      PHE  10  13.108  -2.806  -2.704
   77    HZ   PHE  10           HZ       PHE  10  12.882  -4.114  -4.778
   78    H    ALA  11           HN       ALA  11   9.313   2.356  -2.916
   79    HA   ALA  11           HA       ALA  11   9.294   3.223  -0.418
   80   1HB   ALA  11          HB1       ALA  11  11.904   1.723  -0.736
   81   2HB   ALA  11          HB2       ALA  11  10.595   1.301   0.367
   82   3HB   ALA  11          HB3       ALA  11  11.497   2.797   0.602
   83    H    ALA  12           HN       ALA  12  10.305   5.176  -0.138
   84    HA   ALA  12           HA       ALA  12  11.996   6.087  -2.372
   85   1HB   ALA  12          HB1       ALA  12   9.730   6.997  -2.549
   86   2HB   ALA  12          HB2       ALA  12  10.911   8.270  -2.238
   87   3HB   ALA  12          HB3       ALA  12   9.879   7.687  -0.933
   88    HA   PRO  13           HA       PRO  13  15.186   7.176   0.502
   89   1HB   PRO  13          HB2       PRO  13  15.214   9.764  -0.997
   90   2HB   PRO  13          HB1       PRO  13  16.559   8.705  -0.556
   91   1HG   PRO  13          HG2       PRO  13  15.610   8.725  -3.042
   92   2HG   PRO  13          HG1       PRO  13  16.117   7.209  -2.274
   93   1HD   PRO  13          HD2       PRO  13  13.376   8.230  -2.828
   94   2HD   PRO  13          HD1       PRO  13  13.973   6.560  -2.786
   95    H    MET  14           HN       MET  14  15.492   8.402   2.357
   96    HA   MET  14           HA       MET  14  13.792  10.678   2.906
   97   1HB   MET  14          HB2       MET  14  12.354   8.742   3.460
   98   2HB   MET  14          HB1       MET  14  13.579   8.176   4.587
   99   1HG   MET  14          HG2       MET  14  13.306  10.333   5.824
  100   2HG   MET  14          HG1       MET  14  11.931  10.680   4.778
  101   1HE   MET  14          HE1       MET  14  10.452  10.970   7.059
  102   2HE   MET  14          HE2       MET  14  11.901  10.578   7.985
  103   3HE   MET  14          HE3       MET  14  10.391   9.725   8.306
  104    H    ASP  15           HN       ASP  15  16.527   8.747   3.491
  105    HA   ASP  15           HA       ASP  15  17.787  10.814   5.014
  106   1HB   ASP  15          HB2       ASP  15  16.400   9.530   6.717
  107   2HB   ASP  15          HB1       ASP  15  17.476   8.168   6.429
  108    H    ILE  16           HN       ILE  16  19.154  10.638   3.196
  109    HA   ILE  16           HA       ILE  16  21.352   8.860   3.572
  110    HB   ILE  16           HB       ILE  16  20.041   7.299   2.381
  111   1HG1  ILE  16          HG12      ILE  16  21.764   8.661   0.316
  112   2HG1  ILE  16          HG11      ILE  16  22.367   7.554   1.544
  113   1HG2  ILE  16          HG21      ILE  16  18.284   8.752   1.637
  114   2HG2  ILE  16          HG22      ILE  16  18.905   7.837   0.260
  115   3HG2  ILE  16          HG23      ILE  16  19.370   9.525   0.481
  116   1HD1  ILE  16          HD11      ILE  16  20.384   6.844  -0.602
  117   2HD1  ILE  16          HD12      ILE  16  21.091   5.746   0.583
  118   3HD1  ILE  16          HD13      ILE  16  22.110   6.492  -0.646
  119    H    THR  17           HN       THR  17  19.871  11.572   2.372
  120    HA   THR  17           HA       THR  17  20.482  13.347   1.074
  121    HB   THR  17           HB       THR  17  22.938  13.998   1.340
  122    HG1  THR  17           HG1      THR  17  23.801  12.010   1.955
  123   1HG2  THR  17          HG21      THR  17  21.214  15.069   2.638
  124   2HG2  THR  17          HG22      THR  17  22.580  14.721   3.699
  125   3HG2  THR  17          HG23      THR  17  21.142  13.701   3.748
  126    H    LEU  18           HN       LEU  18  20.157  12.680  -0.995
  127    HA   LEU  18           HA       LEU  18  21.908  10.946  -2.366
  128   1HB   LEU  18          HB2       LEU  18  19.532  12.569  -2.997
  129   2HB   LEU  18          HB1       LEU  18  20.579  12.193  -4.350
  130    HG   LEU  18           HG       LEU  18  18.806  10.544  -4.200
  131   1HD1  LEU  18          HD11      LEU  18  21.482   9.463  -3.326
  132   2HD1  LEU  18          HD12      LEU  18  20.945   9.743  -4.984
  133   3HD1  LEU  18          HD13      LEU  18  20.171   8.495  -4.006
  134   1HD2  LEU  18          HD21      LEU  18  18.433   9.180  -2.285
  135   2HD2  LEU  18          HD22      LEU  18  18.439  10.856  -1.738
  136   3HD2  LEU  18          HD23      LEU  18  19.851   9.835  -1.465
  137    H    THR  19           HN       THR  19  23.919  12.049  -1.854
  138    HA   THR  19           HA       THR  19  24.589  14.044  -3.886
  139    HB   THR  19           HB       THR  19  25.790  15.445  -2.337
  140    HG1  THR  19           HG1      THR  19  24.869  14.071  -0.079
  141   1HG2  THR  19          HG21      THR  19  23.009  14.794  -1.348
  142   2HG2  THR  19          HG22      THR  19  23.460  16.017  -2.537
  143   3HG2  THR  19          HG23      THR  19  23.932  16.213  -0.849
  144    H    GLU  20           HN       GLU  20  25.259  11.272  -2.111
  145    HA   GLU  20           HA       GLU  20  28.120  11.280  -2.657
  146   1HB   GLU  20          HB2       GLU  20  26.339   9.293  -1.235
  147   2HB   GLU  20          HB1       GLU  20  28.076   9.099  -1.436
  148   1HG   GLU  20          HG2       GLU  20  28.485  11.088  -0.129
  149   2HG   GLU  20          HG1       GLU  20  26.753  11.388   0.002
  150    H    THR  21           HN       THR  21  28.808   8.818  -3.287
  151    HA   THR  21           HA       THR  21  27.251   8.116  -5.689
  152    HB   THR  21           HB       THR  21  29.575   7.421  -6.619
  153    HG1  THR  21           HG1      THR  21  30.891   7.829  -4.891
  154   1HG2  THR  21          HG21      THR  21  28.679  10.296  -6.405
  155   2HG2  THR  21          HG22      THR  21  28.256   9.139  -7.667
  156   3HG2  THR  21          HG23      THR  21  29.914   9.724  -7.526
  157    H    ARG  22           HN       ARG  22  29.450   7.037  -3.168
  158    HA   ARG  22           HA       ARG  22  28.579   4.266  -3.664
  159   1HB   ARG  22          HB2       ARG  22  31.281   5.034  -2.597
  160   2HB   ARG  22          HB1       ARG  22  30.729   3.443  -3.099
  161   1HG   ARG  22          HG2       ARG  22  30.596   4.213  -5.413
  162   2HG   ARG  22          HG1       ARG  22  31.150   5.811  -4.908
  163   1HD   ARG  22          HD2       ARG  22  32.691   3.231  -4.654
  164   2HD   ARG  22          HD1       ARG  22  32.987   4.508  -5.833
  165    HE   ARG  22           HE       ARG  22  33.194   5.797  -3.465
  166   1HH1  ARG  22          HH11      ARG  22  34.656   2.906  -4.749
  167   2HH1  ARG  22          HH12      ARG  22  36.119   3.088  -3.841
  168   1HH2  ARG  22          HH21      ARG  22  35.116   6.043  -2.264
  169   2HH2  ARG  22          HH22      ARG  22  36.380   4.870  -2.427
  170    H    PHE  23           HN       PHE  23  28.642   2.894  -1.676
  171    HA   PHE  23           HA       PHE  23  28.683   4.371   0.847
  172   1HB   PHE  23          HB2       PHE  23  26.337   2.684  -0.064
  173   2HB   PHE  23          HB1       PHE  23  26.522   3.384   1.540
  174    HD1  PHE  23           HD1      PHE  23  26.412   4.370  -2.041
  175    HD2  PHE  23           HD2      PHE  23  25.579   5.447   1.987
  176    HE1  PHE  23           HE1      PHE  23  25.342   6.427  -2.825
  177    HE2  PHE  23           HE2      PHE  23  24.489   7.514   1.210
  178    HZ   PHE  23           HZ       PHE  23  24.369   8.008  -1.200
  179    H    LYS  24           HN       LYS  24  30.176   3.282   1.983
  180    HA   LYS  24           HA       LYS  24  31.145   0.755   1.522
  181   1HB   LYS  24          HB2       LYS  24  31.752   0.791   4.032
  182   2HB   LYS  24          HB1       LYS  24  32.442   2.007   2.969
  183   1HG   LYS  24          HG2       LYS  24  30.655   3.576   3.706
  184   2HG   LYS  24          HG1       LYS  24  30.133   2.354   4.867
  185   1HD   LYS  24          HD2       LYS  24  32.368   2.397   5.892
  186   2HD   LYS  24          HD1       LYS  24  32.852   3.655   4.753
  187   1HE   LYS  24          HE2       LYS  24  30.661   3.861   6.814
  188   2HE   LYS  24          HE1       LYS  24  32.248   4.623   6.900
  189   1HZ   LYS  24          HZ1       LYS  24  31.693   5.890   4.906
  190   2HZ   LYS  24          HZ2       LYS  24  30.593   6.193   6.155
  191   3HZ   LYS  24          HZ3       LYS  24  30.155   5.184   4.871
  192    H    THR  25           HN       THR  25  31.061  -1.139   3.037
  193    HA   THR  25           HA       THR  25  28.470  -2.220   3.009
  194    HB   THR  25           HB       THR  25  29.586  -3.994   4.528
  195    HG1  THR  25           HG1      THR  25  31.615  -2.179   4.118
  196   1HG2  THR  25          HG21      THR  25  30.600  -5.065   2.586
  197   2HG2  THR  25          HG22      THR  25  30.638  -3.519   1.738
  198   3HG2  THR  25          HG23      THR  25  29.094  -4.276   2.122
  199    H    GLY  26           HN       GLY  26  29.895  -0.107   5.192
  200   1HA   GLY  26          HA2       GLY  26  28.278  -1.023   7.464
  201   2HA   GLY  26          HA1       GLY  26  29.532   0.211   7.519
  202    H    THR  27           HN       THR  27  27.381   0.363   4.908
  203    HA   THR  27           HA       THR  27  26.178   2.803   6.003
  204    HB   THR  27           HB       THR  27  27.268   2.612   3.636
  205    HG1  THR  27           HG1      THR  27  26.321   4.514   3.835
  206   1HG2  THR  27          HG21      THR  27  24.505   1.913   2.755
  207   2HG2  THR  27          HG22      THR  27  25.599   0.605   3.211
  208   3HG2  THR  27          HG23      THR  27  26.045   1.709   1.908
  209    H    THR  28           HN       THR  28  23.891   3.204   5.726
  210    HA   THR  28           HA       THR  28  22.148   1.023   5.074
  211    HB   THR  28           HB       THR  28  22.171   2.013   7.934
  212    HG1  THR  28           HG1      THR  28  22.615  -0.656   7.116
  213   1HG2  THR  28          HG21      THR  28  20.446  -0.062   6.578
  214   2HG2  THR  28          HG22      THR  28  19.917   1.527   7.132
  215   3HG2  THR  28          HG23      THR  28  20.437   0.314   8.301
  216    H    LEU  29           HN       LEU  29  20.488   1.866   4.072
  217    HA   LEU  29           HA       LEU  29  19.964   4.696   4.250
  218   1HB   LEU  29          HB2       LEU  29  18.682   2.534   2.572
  219   2HB   LEU  29          HB1       LEU  29  18.314   4.242   2.444
  220    HG   LEU  29           HG       LEU  29  20.703   4.646   1.805
  221   1HD1  LEU  29          HD11      LEU  29  21.720   2.681   2.777
  222   2HD1  LEU  29          HD12      LEU  29  22.009   2.705   1.037
  223   3HD1  LEU  29          HD13      LEU  29  20.779   1.637   1.713
  224   1HD2  LEU  29          HD21      LEU  29  18.981   4.517   0.108
  225   2HD2  LEU  29          HD22      LEU  29  19.116   2.758   0.071
  226   3HD2  LEU  29          HD23      LEU  29  20.461   3.758  -0.476
  227    H    LYS  30           HN       LYS  30  17.407   5.147   4.012
  228    HA   LYS  30           HA       LYS  30  16.114   3.785   6.282
  229   1HB   LYS  30          HB2       LYS  30  16.810   6.145   6.745
  230   2HB   LYS  30          HB1       LYS  30  15.728   6.668   5.462
  231   1HG   LYS  30          HG2       LYS  30  13.815   5.901   6.664
  232   2HG   LYS  30          HG1       LYS  30  14.830   5.129   7.885
  233   1HD   LYS  30          HD2       LYS  30  15.737   7.378   8.457
  234   2HD   LYS  30          HD1       LYS  30  14.561   8.084   7.345
  235   1HE   LYS  30          HE2       LYS  30  12.733   7.200   8.651
  236   2HE   LYS  30          HE1       LYS  30  13.860   6.358   9.715
  237   1HZ   LYS  30          HZ1       LYS  30  14.698   8.454  10.489
  238   2HZ   LYS  30          HZ2       LYS  30  13.016   8.450  10.661
  239   3HZ   LYS  30          HZ3       LYS  30  13.733   9.309   9.393
  240    H    TYR  31           HN       TYR  31  15.071   6.062   3.757
  241    HA   TYR  31           HA       TYR  31  13.423   5.986   2.206
  242   1HB   TYR  31          HB2       TYR  31  14.136   3.105   2.495
  243   2HB   TYR  31          HB1       TYR  31  12.688   3.522   1.581
  244    HD1  TYR  31           HD1      TYR  31  12.998   3.598  -0.694
  245    HD2  TYR  31           HD2      TYR  31  16.202   4.798   1.833
  246    HE1  TYR  31           HE1      TYR  31  14.381   4.054  -2.675
  247    HE2  TYR  31           HE2      TYR  31  17.593   5.259  -0.139
  248    HH   TYR  31           HH       TYR  31  16.318   5.379  -3.303
  249    H    THR  32           HN       THR  32  11.229   6.064   2.078
  250    HA   THR  32           HA       THR  32   9.770   5.212   4.483
  251    HB   THR  32           HB       THR  32   8.882   7.254   4.515
  252    HG1  THR  32           HG1      THR  32   7.843   7.799   2.197
  253   1HG2  THR  32          HG21      THR  32   9.612   8.998   2.968
  254   2HG2  THR  32          HG22      THR  32  10.267   7.773   1.881
  255   3HG2  THR  32          HG23      THR  32  10.977   8.005   3.480
  256    H    CYS  33           HN       CYS  33   7.290   4.955   3.926
  257    HA   CYS  33           HA       CYS  33   7.076   3.263   1.523
  258   1HB   CYS  33          HB2       CYS  33   7.214   1.995   3.712
  259   2HB   CYS  33          HB1       CYS  33   5.666   2.717   4.137
  260    H    LEU  34           HN       LEU  34   5.793   4.073   0.181
  261    HA   LEU  34           HA       LEU  34   4.257   6.239   0.149
  262   1HB   LEU  34          HB2       LEU  34   3.416   3.665  -1.171
  263   2HB   LEU  34          HB1       LEU  34   2.885   5.273  -1.626
  264    HG   LEU  34           HG       LEU  34   5.656   4.102  -1.900
  265   1HD1  LEU  34          HD11      LEU  34   3.816   3.666  -3.614
  266   2HD1  LEU  34          HD12      LEU  34   5.347   4.307  -4.207
  267   3HD1  LEU  34          HD13      LEU  34   3.958   5.377  -4.021
  268   1HD2  LEU  34          HD21      LEU  34   6.388   6.255  -2.760
  269   2HD2  LEU  34          HD22      LEU  34   5.857   6.396  -1.084
  270   3HD2  LEU  34          HD23      LEU  34   4.809   6.954  -2.389
  271    HA   PRO  35           HA       PRO  35   0.963   6.603   2.947
  272   1HB   PRO  35          HB2       PRO  35  -0.674   6.938   0.468
  273   2HB   PRO  35          HB1       PRO  35  -0.698   7.881   1.962
  274   1HG   PRO  35          HG2       PRO  35   0.601   8.765  -0.192
  275   2HG   PRO  35          HG1       PRO  35   1.254   9.010   1.438
  276   1HD   PRO  35          HD2       PRO  35   2.174   7.196  -0.707
  277   2HD   PRO  35          HD1       PRO  35   3.077   7.887   0.654
  278    H    GLY  36           HN       GLY  36   0.448   4.360   0.260
  279   1HA   GLY  36          HA2       GLY  36  -1.354   2.868   2.070
  280   2HA   GLY  36          HA1       GLY  36  -1.720   3.054   0.365
  281    H    TYR  37           HN       TYR  37   1.417   2.719   0.129
  282    HA   TYR  37           HA       TYR  37   1.626   0.372  -1.059
  283   1HB   TYR  37          HB2       TYR  37   3.449   2.168  -0.033
  284   2HB   TYR  37          HB1       TYR  37   3.862   0.670   0.794
  285    HD1  TYR  37           HD1      TYR  37   3.850  -1.453  -0.885
  286    HD2  TYR  37           HD2      TYR  37   4.558   2.584  -2.000
  287    HE1  TYR  37           HE1      TYR  37   5.039  -2.224  -2.893
  288    HE2  TYR  37           HE2      TYR  37   5.751   1.826  -4.012
  289    HH   TYR  37           HH       TYR  37   6.960  -0.207  -4.784
  290    H    VAL  38           HN       VAL  38   0.422  -1.295  -0.434
  291    HA   VAL  38           HA       VAL  38   0.124  -2.488   1.908
  292    HB   VAL  38           HB       VAL  38   0.678  -3.923  -0.691
  293   1HG1  VAL  38          HG11      VAL  38  -0.778  -4.862   1.771
  294   2HG1  VAL  38          HG12      VAL  38   0.759  -5.479   1.164
  295   3HG1  VAL  38          HG13      VAL  38  -0.719  -5.714   0.227
  296   1HG2  VAL  38          HG21      VAL  38  -1.661  -3.738  -1.095
  297   2HG2  VAL  38          HG22      VAL  38  -1.079  -2.129  -0.660
  298   3HG2  VAL  38          HG23      VAL  38  -1.950  -3.103   0.525
  299    H    ARG  39           HN       ARG  39   1.208  -4.692   2.701
  300    HA   ARG  39           HA       ARG  39   4.008  -4.874   2.161
  301   1HB   ARG  39          HB2       ARG  39   4.849  -4.152   4.317
  302   2HB   ARG  39          HB1       ARG  39   3.955  -2.847   3.546
  303   1HG   ARG  39          HG2       ARG  39   2.032  -3.297   4.954
  304   2HG   ARG  39          HG1       ARG  39   2.879  -4.653   5.703
  305   1HD   ARG  39          HD2       ARG  39   3.769  -1.773   5.793
  306   2HD   ARG  39          HD1       ARG  39   2.933  -2.621   7.093
  307    HE   ARG  39           HE       ARG  39   5.172  -4.126   6.495
  308   1HH1  ARG  39          HH11      ARG  39   4.481  -0.907   7.630
  309   2HH1  ARG  39          HH12      ARG  39   5.948  -0.774   8.542
  310   1HH2  ARG  39          HH21      ARG  39   7.107  -3.962   7.693
  311   2HH2  ARG  39          HH22      ARG  39   7.441  -2.510   8.577
  312    H    SER  40           HN       SER  40   5.148  -6.396   3.480
  313    HA   SER  40           HA       SER  40   3.422  -8.406   4.757
  314   1HB   SER  40          HB2       SER  40   4.036  -9.413   2.708
  315   2HB   SER  40          HB1       SER  40   5.674  -8.762   2.776
  316    HG   SER  40           HG       SER  40   5.469 -11.036   3.318
  317    H    HIS  41           HN       HIS  41   5.586  -6.125   5.289
  318    HA   HIS  41           HA       HIS  41   7.231  -5.631   6.759
  319   1HB   HIS  41          HB2       HIS  41   6.677  -7.200   8.993
  320   2HB   HIS  41          HB1       HIS  41   6.112  -5.566   8.670
  321    HD1  HIS  41           HD1      HIS  41   4.987  -9.113   8.752
  322    HD2  HIS  41           HD2      HIS  41   3.427  -5.373   7.834
  323    HE1  HIS  41           HE1      HIS  41   2.497  -9.437   8.622
  324    HE2  HIS  41           HE2      HIS  41   1.568  -7.139   8.168
  325    H    SER  42           HN       SER  42   9.258  -6.129   6.584
  326    HA   SER  42           HA       SER  42  10.296  -8.599   7.600
  327   1HB   SER  42          HB2       SER  42  10.529  -8.017   4.638
  328   2HB   SER  42          HB1       SER  42  11.412  -9.282   5.492
  329    HG   SER  42           HG       SER  42   9.117  -9.563   4.385
  330    H    THR  43           HN       THR  43  10.625  -5.448   6.307
  331    HA   THR  43           HA       THR  43  12.998  -4.905   7.776
  332    HB   THR  43           HB       THR  43  13.566  -4.478   4.901
  333    HG1  THR  43           HG1      THR  43  13.331  -6.544   4.480
  334   1HG2  THR  43          HG21      THR  43  15.133  -3.720   6.586
  335   2HG2  THR  43          HG22      THR  43  15.858  -5.031   5.655
  336   3HG2  THR  43          HG23      THR  43  15.225  -5.343   7.271
  337    H    GLN  44           HN       GLN  44  14.005  -2.771   6.306
  338    HA   GLN  44           HA       GLN  44  12.177  -1.005   5.184
  339   1HB   GLN  44          HB2       GLN  44  11.673   0.515   7.010
  340   2HB   GLN  44          HB1       GLN  44  11.084  -1.094   7.405
  341   1HG   GLN  44          HG2       GLN  44  13.106  -1.452   8.781
  342   2HG   GLN  44          HG1       GLN  44  13.587   0.212   8.450
  343   1HE2  GLN  44          HE21      GLN  44  10.288  -0.843   8.958
  344   2HE2  GLN  44          HE22      GLN  44  10.052  -0.018  10.458
  345    H    THR  45           HN       THR  45  15.080  -1.932   5.426
  346    HA   THR  45           HA       THR  45  16.256   0.702   5.038
  347    HB   THR  45           HB       THR  45  18.093   0.403   6.544
  348    HG1  THR  45           HG1      THR  45  16.938  -2.129   7.179
  349   1HG2  THR  45          HG21      THR  45  15.491  -0.265   7.924
  350   2HG2  THR  45          HG22      THR  45  16.114   1.351   7.577
  351   3HG2  THR  45          HG23      THR  45  16.948   0.314   8.737
  352    H    LEU  46           HN       LEU  46  18.341   0.640   4.037
  353    HA   LEU  46           HA       LEU  46  18.830  -1.840   2.514
  354   1HB   LEU  46          HB2       LEU  46  19.002   1.049   1.716
  355   2HB   LEU  46          HB1       LEU  46  19.947  -0.162   0.874
  356    HG   LEU  46           HG       LEU  46  16.941  -0.251   1.120
  357   1HD1  LEU  46          HD11      LEU  46  18.671   0.725  -1.150
  358   2HD1  LEU  46          HD12      LEU  46  17.607   1.713  -0.148
  359   3HD1  LEU  46          HD13      LEU  46  16.924   0.491  -1.221
  360   1HD2  LEU  46          HD21      LEU  46  17.120  -1.892  -0.682
  361   2HD2  LEU  46          HD22      LEU  46  17.990  -2.418   0.759
  362   3HD2  LEU  46          HD23      LEU  46  18.878  -1.770  -0.619
  363    H    THR  47           HN       THR  47  20.717  -2.802   3.044
  364    HA   THR  47           HA       THR  47  22.871  -1.081   4.107
  365    HB   THR  47           HB       THR  47  22.658  -4.034   4.665
  366    HG1  THR  47           HG1      THR  47  21.925  -2.721   6.817
  367   1HG2  THR  47          HG21      THR  47  24.020  -1.772   6.134
  368   2HG2  THR  47          HG22      THR  47  24.816  -2.916   5.054
  369   3HG2  THR  47          HG23      THR  47  24.089  -3.483   6.557
  370    H    CYS  48           HN       CYS  48  25.063  -1.643   3.519
  371    HA   CYS  48           HA       CYS  48  25.139  -2.777   0.858
  372   1HB   CYS  48          HB2       CYS  48  26.383  -0.633   1.602
  373   2HB   CYS  48          HB1       CYS  48  27.525  -1.723   2.371
  374    H    ASN  49           HN       ASN  49  25.431  -4.861   0.619
  375    HA   ASN  49           HA       ASN  49  26.740  -6.401   2.731
  376   1HB   ASN  49          HB2       ASN  49  25.845  -8.366   1.374
  377   2HB   ASN  49          HB1       ASN  49  24.632  -7.328   2.119
  378   1HD2  ASN  49          HD21      ASN  49  23.541  -5.798   0.793
  379   2HD2  ASN  49          HD22      ASN  49  23.375  -6.075  -0.904
  380    H    SER  50           HN       SER  50  28.018  -8.377   1.741
  381    HA   SER  50           HA       SER  50  30.101  -7.204   0.085
  382   1HB   SER  50          HB2       SER  50  30.775  -8.493   2.062
  383   2HB   SER  50          HB1       SER  50  29.935  -9.914   1.442
  384    HG   SER  50           HG       SER  50  32.092  -8.605   0.142
  385    H    ASP  51           HN       ASP  51  28.345  -7.131  -1.619
  386    HA   ASP  51           HA       ASP  51  28.705  -9.327  -3.519
  387   1HB   ASP  51          HB2       ASP  51  25.965  -8.407  -2.664
  388   2HB   ASP  51          HB1       ASP  51  26.332  -9.590  -3.915
  389    H    GLY  52           HN       GLY  52  28.715  -6.161  -2.813
  390   1HA   GLY  52          HA2       GLY  52  28.617  -4.232  -4.053
  391   2HA   GLY  52          HA1       GLY  52  28.901  -5.268  -5.443
  392    H    GLU  53           HN       GLU  53  26.195  -6.015  -3.618
  393    HA   GLU  53           HA       GLU  53  24.389  -4.424  -5.320
  394   1HB   GLU  53          HB2       GLU  53  22.984  -6.269  -5.722
  395   2HB   GLU  53          HB1       GLU  53  24.608  -6.897  -5.953
  396   1HG   GLU  53          HG2       GLU  53  24.533  -7.779  -3.630
  397   2HG   GLU  53          HG1       GLU  53  22.843  -7.281  -3.553
  398    H    TRP  54           HN       TRP  54  22.193  -4.172  -4.371
  399    HA   TRP  54           HA       TRP  54  22.421  -3.788  -1.515
  400   1HB   TRP  54          HB2       TRP  54  20.313  -2.938  -3.516
  401   2HB   TRP  54          HB1       TRP  54  20.277  -2.538  -1.806
  402    HD1  TRP  54           HD1      TRP  54  21.693  -1.374  -5.063
  403    HE1  TRP  54           HE1      TRP  54  23.221   0.664  -4.679
  404    HE3  TRP  54           HE3      TRP  54  22.030  -1.572   0.023
  405    HZ2  TRP  54           HZ2      TRP  54  24.418   2.011  -2.496
  406    HZ3  TRP  54           HZ3      TRP  54  23.380   0.123   1.191
  407    HH2  TRP  54           HH2      TRP  54  24.548   1.877  -0.045
  408    H    VAL  55           HN       VAL  55  21.823  -5.281  -0.206
  409    HA   VAL  55           HA       VAL  55  19.961  -7.419  -1.014
  410    HB   VAL  55           HB       VAL  55  22.252  -7.220   0.891
  411   1HG1  VAL  55          HG11      VAL  55  20.369  -7.842   2.317
  412   2HG1  VAL  55          HG12      VAL  55  21.524  -9.162   2.138
  413   3HG1  VAL  55          HG13      VAL  55  20.004  -9.192   1.243
  414   1HG2  VAL  55          HG21      VAL  55  22.820  -9.387  -0.020
  415   2HG2  VAL  55          HG22      VAL  55  22.488  -8.260  -1.336
  416   3HG2  VAL  55          HG23      VAL  55  21.278  -9.459  -0.878
  417    H    TYR  56           HN       TYR  56  18.164  -7.895   0.185
  418    HA   TYR  56           HA       TYR  56  17.577  -7.059   2.691
  419   1HB   TYR  56          HB2       TYR  56  16.137  -5.057   2.412
  420   2HB   TYR  56          HB1       TYR  56  17.797  -4.739   1.917
  421    HD1  TYR  56           HD1      TYR  56  14.419  -4.398   1.002
  422    HD2  TYR  56           HD2      TYR  56  18.269  -5.115  -0.659
  423    HE1  TYR  56           HE1      TYR  56  13.612  -3.639  -1.192
  424    HE2  TYR  56           HE2      TYR  56  17.473  -4.356  -2.854
  425    HH   TYR  56           HH       TYR  56  14.550  -2.713  -3.283
  426    H    ASN  57           HN       ASN  57  15.078  -6.945   3.137
  427    HA   ASN  57           HA       ASN  57  13.866  -9.017   1.466
  428   1HB   ASN  57          HB2       ASN  57  12.966  -7.916   4.137
  429   2HB   ASN  57          HB1       ASN  57  12.259  -9.292   3.296
  430   1HD2  ASN  57          HD21      ASN  57  13.363 -11.238   3.229
  431   2HD2  ASN  57          HD22      ASN  57  14.699 -11.577   4.271
  432    H    THR  58           HN       THR  58  11.313  -8.760   1.440
  433    HA   THR  58           HA       THR  58  10.837  -6.191   0.126
  434    HB   THR  58           HB       THR  58   9.072  -8.646   0.117
  435    HG1  THR  58           HG1      THR  58  10.820  -7.791  -1.957
  436   1HG2  THR  58          HG21      THR  58   7.940  -6.525  -0.434
  437   2HG2  THR  58          HG22      THR  58   8.029  -7.610  -1.822
  438   3HG2  THR  58          HG23      THR  58   9.130  -6.237  -1.704
  439    H    PHE  59           HN       PHE  59  10.406  -4.780   1.786
  440    HA   PHE  59           HA       PHE  59   8.662  -5.435   3.941
  441   1HB   PHE  59          HB2       PHE  59   8.727  -2.728   4.029
  442   2HB   PHE  59          HB1       PHE  59   9.971  -3.768   4.714
  443    HD1  PHE  59           HD1      PHE  59  12.101  -4.089   3.564
  444    HD2  PHE  59           HD2      PHE  59   9.162  -1.381   2.101
  445    HE1  PHE  59           HE1      PHE  59  13.803  -3.011   2.152
  446    HE2  PHE  59           HE2      PHE  59  10.858  -0.302   0.685
  447    HZ   PHE  59           HZ       PHE  59  13.182  -1.115   0.709
  448    H    CYS  60           HN       CYS  60   8.241  -2.853   1.499
  449    HA   CYS  60           HA       CYS  60   5.361  -3.046   1.825
  450   1HB   CYS  60          HB2       CYS  60   6.865  -1.218  -0.054
  451   2HB   CYS  60          HB1       CYS  60   5.230  -1.015   0.570
  452    H    ILE  61           HN       ILE  61   3.962  -3.078  -0.206
  453    HA   ILE  61           HA       ILE  61   5.143  -4.500  -2.436
  454    HB   ILE  61           HB       ILE  61   3.294  -6.264  -2.293
  455   1HG1  ILE  61          HG12      ILE  61   3.262  -5.145   0.512
  456   2HG1  ILE  61          HG11      ILE  61   1.900  -5.348  -0.586
  457   1HG2  ILE  61          HG21      ILE  61   4.669  -7.676  -0.787
  458   2HG2  ILE  61          HG22      ILE  61   5.582  -6.241  -0.326
  459   3HG2  ILE  61          HG23      ILE  61   5.625  -6.813  -1.993
  460   1HD1  ILE  61          HD11      ILE  61   2.103  -7.773  -0.383
  461   2HD1  ILE  61          HD12      ILE  61   1.848  -7.001   1.181
  462   3HD1  ILE  61          HD13      ILE  61   3.457  -7.562   0.726
  463    H    TYR  62           HN       TYR  62   2.288  -2.976  -1.041
  464    HA   TYR  62           HA       TYR  62   0.506  -1.841  -2.014
  465   1HB   TYR  62          HB2       TYR  62   2.772  -1.062  -3.383
  466   2HB   TYR  62          HB1       TYR  62   1.646  -1.513  -4.663
  467    HD1  TYR  62           HD1      TYR  62   2.865   1.224  -3.497
  468    HD2  TYR  62           HD2      TYR  62  -0.940  -0.662  -3.402
  469    HE1  TYR  62           HE1      TYR  62   1.812   3.413  -3.186
  470    HE2  TYR  62           HE2      TYR  62  -2.019   1.532  -3.102
  471    HH   TYR  62           HH       TYR  62  -0.154   4.519  -3.255
  472    H    LYS  63           HN       LYS  63  -1.268  -2.730  -2.460
  473    HA   LYS  63           HA       LYS  63  -1.874  -3.953  -4.941
  474   1HB   LYS  63          HB2       LYS  63  -2.543  -6.172  -4.038
  475   2HB   LYS  63          HB1       LYS  63  -0.806  -5.903  -4.002
  476   1HG   LYS  63          HG2       LYS  63  -1.149  -5.179  -1.578
  477   2HG   LYS  63          HG1       LYS  63  -2.745  -5.919  -1.719
  478   1HD   LYS  63          HD2       LYS  63  -1.269  -7.551  -0.790
  479   2HD   LYS  63          HD1       LYS  63  -1.608  -8.022  -2.453
  480   1HE   LYS  63          HE2       LYS  63   0.512  -6.997  -3.158
  481   2HE   LYS  63          HE1       LYS  63   0.854  -6.623  -1.471
  482   1HZ   LYS  63          HZ1       LYS  63   0.521  -9.338  -2.618
  483   2HZ   LYS  63          HZ2       LYS  63   0.785  -9.002  -0.982
  484   3HZ   LYS  63          HZ3       LYS  63   1.979  -8.635  -2.123
  485    H    ARG  64           HN       ARG  64  -3.630  -2.665  -5.157
  486    HA   ARG  64           HA       ARG  64  -5.437  -2.322  -2.895
  487   1HB   ARG  64          HB2       ARG  64  -6.559  -0.675  -4.509
  488   2HB   ARG  64          HB1       ARG  64  -4.974  -0.253  -3.876
  489   1HG   ARG  64          HG2       ARG  64  -5.058  -1.705  -6.454
  490   2HG   ARG  64          HG1       ARG  64  -5.600  -0.026  -6.443
  491   1HD   ARG  64          HD2       ARG  64  -2.965  -0.957  -5.320
  492   2HD   ARG  64          HD1       ARG  64  -3.172  -0.332  -6.955
  493    HE   ARG  64           HE       ARG  64  -3.935   1.319  -4.651
  494   1HH1  ARG  64          HH11      ARG  64  -1.935   0.762  -7.449
  495   2HH1  ARG  64          HH12      ARG  64  -1.277   2.365  -7.457
  496   1HH2  ARG  64          HH21      ARG  64  -3.073   3.430  -4.653
  497   2HH2  ARG  64          HH22      ARG  64  -1.924   3.880  -5.867
  498    H    CYS  65           HN       CYS  65  -7.838  -2.120  -3.610
  499    HA   CYS  65           HA       CYS  65  -8.508  -4.613  -5.017
  500   1HB   CYS  65          HB2       CYS  65 -10.413  -3.099  -3.251
  501   2HB   CYS  65          HB1       CYS  65 -10.407  -4.812  -3.657
  502    H    ARG  66           HN       ARG  66 -10.309  -4.585  -6.483
  503    HA   ARG  66           HA       ARG  66 -10.347  -2.291  -8.092
  504   1HB   ARG  66          HB2       ARG  66 -10.840  -4.515  -9.007
  505   2HB   ARG  66          HB1       ARG  66 -12.303  -4.606  -8.035
  506   1HG   ARG  66          HG2       ARG  66 -12.994  -4.054 -10.215
  507   2HG   ARG  66          HG1       ARG  66 -13.109  -2.562  -9.277
  508   1HD   ARG  66          HD2       ARG  66 -12.116  -1.994 -11.356
  509   2HD   ARG  66          HD1       ARG  66 -10.832  -1.959 -10.148
  510    HE   ARG  66           HE       ARG  66 -11.085  -4.467 -11.547
  511   1HH1  ARG  66          HH11      ARG  66  -9.598  -1.315 -11.510
  512   2HH1  ARG  66          HH12      ARG  66  -8.277  -1.786 -12.526
  513   1HH2  ARG  66          HH21      ARG  66  -9.350  -5.094 -12.885
  514   2HH2  ARG  66          HH22      ARG  66  -8.136  -3.934 -13.308
  515    H    HIS  67           HN       HIS  67 -11.741  -0.599  -8.246
  516    HA   HIS  67           HA       HIS  67 -13.062   0.252  -5.934
  517   1HB   HIS  67          HB2       HIS  67 -13.580   1.192  -8.760
  518   2HB   HIS  67          HB1       HIS  67 -13.851   2.089  -7.274
  519    HD1  HIS  67           HD1      HIS  67 -11.382   1.539  -9.868
  520    HD2  HIS  67           HD2      HIS  67 -11.349   2.766  -5.897
  521    HE1  HIS  67           HE1      HIS  67  -9.148   2.641  -9.524
  522    HE2  HIS  67           HE2      HIS  67  -9.112   3.285  -7.088
  523    HA   PRO  68           HA       PRO  68 -16.747  -2.309  -6.218
  524   1HB   PRO  68          HB2       PRO  68 -18.274  -0.664  -4.573
  525   2HB   PRO  68          HB1       PRO  68 -17.261  -1.998  -4.018
  526   1HG   PRO  68          HG2       PRO  68 -16.676   0.928  -4.071
  527   2HG   PRO  68          HG1       PRO  68 -16.226  -0.288  -2.862
  528   1HD   PRO  68          HD2       PRO  68 -14.440   0.641  -4.634
  529   2HD   PRO  68          HD1       PRO  68 -14.432  -1.061  -4.124
  530    H    GLY  69           HN       GLY  69 -16.467   1.076  -6.919
  531   1HA   GLY  69          HA2       GLY  69 -17.332   1.895  -9.002
  532   2HA   GLY  69          HA1       GLY  69 -18.654   0.749  -8.856
  533    H    GLU  70           HN       GLU  70 -19.918   2.624  -9.387
  534    HA   GLU  70           HA       GLU  70 -20.153   4.738  -7.413
  535   1HB   GLU  70          HB2       GLU  70 -20.419   5.193  -9.867
  536   2HB   GLU  70          HB1       GLU  70 -21.877   4.208  -9.841
  537   1HG   GLU  70          HG2       GLU  70 -22.445   6.550  -9.746
  538   2HG   GLU  70          HG1       GLU  70 -22.887   5.755  -8.236
  539    H    LEU  71           HN       LEU  71 -21.666   5.003  -5.937
  540    HA   LEU  71           HA       LEU  71 -23.375   2.702  -5.347
  541   1HB   LEU  71          HB2       LEU  71 -21.836   4.126  -3.699
  542   2HB   LEU  71          HB1       LEU  71 -23.266   5.131  -3.610
  543    HG   LEU  71           HG       LEU  71 -23.058   2.223  -2.823
  544   1HD1  LEU  71          HD11      LEU  71 -23.506   3.052  -0.581
  545   2HD1  LEU  71          HD12      LEU  71 -23.542   4.706  -1.191
  546   3HD1  LEU  71          HD13      LEU  71 -22.043   3.779  -1.246
  547   1HD2  LEU  71          HD21      LEU  71 -25.240   2.502  -3.726
  548   2HD2  LEU  71          HD22      LEU  71 -25.445   4.053  -2.915
  549   3HD2  LEU  71          HD23      LEU  71 -25.394   2.565  -1.968
  550    H    ARG  72           HN       ARG  72 -25.158   2.864  -6.714
  551    HA   ARG  72           HA       ARG  72 -26.435   5.328  -7.309
  552   1HB   ARG  72          HB2       ARG  72 -26.788   3.367  -8.752
  553   2HB   ARG  72          HB1       ARG  72 -27.512   2.488  -7.411
  554   1HG   ARG  72          HG2       ARG  72 -29.389   4.010  -7.382
  555   2HG   ARG  72          HG1       ARG  72 -28.654   4.975  -8.666
  556   1HD   ARG  72          HD2       ARG  72 -28.790   3.082 -10.189
  557   2HD   ARG  72          HD1       ARG  72 -29.468   2.079  -8.906
  558    HE   ARG  72           HE       ARG  72 -31.122   4.289  -9.154
  559   1HH1  ARG  72          HH11      ARG  72 -30.085   1.615 -11.133
  560   2HH1  ARG  72          HH12      ARG  72 -31.560   1.547 -12.039
  561   1HH2  ARG  72          HH21      ARG  72 -33.067   4.206 -10.341
  562   2HH2  ARG  72          HH22      ARG  72 -33.255   3.020 -11.590
  563    H    ASN  73           HN       ASN  73 -27.656   6.554  -6.242
  564    HA   ASN  73           HA       ASN  73 -28.769   7.479  -4.488
  565   1HB   ASN  73          HB2       ASN  73 -29.782   4.634  -4.146
  566   2HB   ASN  73          HB1       ASN  73 -30.433   6.032  -3.298
  567   1HD2  ASN  73          HD21      ASN  73 -30.283   4.304  -6.275
  568   2HD2  ASN  73          HD22      ASN  73 -31.486   5.219  -7.113
  569    H    GLY  74           HN       GLY  74 -26.196   7.090  -4.088
  570   1HA   GLY  74          HA2       GLY  74 -25.940   6.848  -1.315
  571   2HA   GLY  74          HA1       GLY  74 -25.377   5.361  -2.053
  572    H    GLN  75           HN       GLN  75 -23.508   6.495  -0.691
  573    HA   GLN  75           HA       GLN  75 -21.719   7.607  -2.703
  574   1HB   GLN  75          HB2       GLN  75 -22.687   9.582  -1.623
  575   2HB   GLN  75          HB1       GLN  75 -22.202   8.968  -0.047
  576   1HG   GLN  75          HG2       GLN  75 -20.677  10.683  -0.791
  577   2HG   GLN  75          HG1       GLN  75 -19.854   9.126  -0.712
  578   1HE2  GLN  75          HE21      GLN  75 -18.260   9.753  -2.148
  579   2HE2  GLN  75          HE22      GLN  75 -18.558   9.952  -3.838
  580    H    VAL  76           HN       VAL  76 -20.804   5.467  -2.488
  581    HA   VAL  76           HA       VAL  76 -19.850   4.257  -0.246
  582    HB   VAL  76           HB       VAL  76 -19.475   2.894  -1.998
  583   1HG1  VAL  76          HG11      VAL  76 -18.384   5.165  -3.639
  584   2HG1  VAL  76          HG12      VAL  76 -20.065   4.630  -3.635
  585   3HG1  VAL  76          HG13      VAL  76 -18.796   3.543  -4.200
  586   1HG2  VAL  76          HG21      VAL  76 -17.356   2.924  -0.850
  587   2HG2  VAL  76          HG22      VAL  76 -16.812   4.293  -1.821
  588   3HG2  VAL  76          HG23      VAL  76 -17.086   2.725  -2.581
  589    H    GLU  77           HN       GLU  77 -18.522   4.947   1.346
  590    HA   GLU  77           HA       GLU  77 -16.987   7.318   1.112
  591   1HB   GLU  77          HB2       GLU  77 -17.934   6.643   3.245
  592   2HB   GLU  77          HB1       GLU  77 -16.974   5.169   3.235
  593   1HG   GLU  77          HG2       GLU  77 -16.019   6.829   4.723
  594   2HG   GLU  77          HG1       GLU  77 -14.931   6.482   3.379
  595    H    ILE  78           HN       ILE  78 -15.309   7.341  -0.255
  596    HA   ILE  78           HA       ILE  78 -13.297   5.195  -0.025
  597    HB   ILE  78           HB       ILE  78 -13.952   6.984  -2.367
  598   1HG1  ILE  78          HG12      ILE  78 -15.379   4.982  -2.055
  599   2HG1  ILE  78          HG11      ILE  78 -14.426   4.902  -3.532
  600   1HG2  ILE  78          HG21      ILE  78 -11.539   6.817  -2.169
  601   2HG2  ILE  78          HG22      ILE  78 -12.107   5.887  -3.555
  602   3HG2  ILE  78          HG23      ILE  78 -11.651   5.060  -2.066
  603   1HD1  ILE  78          HD11      ILE  78 -14.451   2.752  -2.459
  604   2HD1  ILE  78          HD12      ILE  78 -13.864   3.459  -0.954
  605   3HD1  ILE  78          HD13      ILE  78 -12.823   3.429  -2.378
  606    H    LYS  79           HN       LYS  79 -11.306   5.743   0.672
  607    HA   LYS  79           HA       LYS  79 -10.229   8.379   0.344
  608   1HB   LYS  79          HB2       LYS  79 -10.115   9.001   2.657
  609   2HB   LYS  79          HB1       LYS  79 -11.794   8.674   2.261
  610   1HG   LYS  79          HG2       LYS  79  -9.916   6.833   3.730
  611   2HG   LYS  79          HG1       LYS  79 -11.233   7.765   4.437
  612   1HD   LYS  79          HD2       LYS  79 -12.805   6.480   2.992
  613   2HD   LYS  79          HD1       LYS  79 -11.435   5.483   2.472
  614   1HE   LYS  79          HE2       LYS  79 -12.631   5.735   5.220
  615   2HE   LYS  79          HE1       LYS  79 -12.469   4.300   4.215
  616   1HZ   LYS  79          HZ1       LYS  79 -10.133   4.288   4.532
  617   2HZ   LYS  79          HZ2       LYS  79 -10.848   4.425   6.059
  618   3HZ   LYS  79          HZ3       LYS  79 -10.162   5.784   5.322
  619    H    THR  80           HN       THR  80  -9.650   5.418   0.054
  620    HA   THR  80           HA       THR  80  -6.933   5.604   1.094
  621    HB   THR  80           HB       THR  80  -6.999   3.294   1.948
  622    HG1  THR  80           HG1      THR  80  -9.727   3.528   1.213
  623   1HG2  THR  80          HG21      THR  80  -7.233   4.947   3.615
  624   2HG2  THR  80          HG22      THR  80  -8.528   3.793   3.935
  625   3HG2  THR  80          HG23      THR  80  -8.888   5.321   3.127
  626    H    ASP  81           HN       ASP  81  -8.754   5.309  -1.505
  627    HA   ASP  81           HA       ASP  81  -8.405   4.427  -3.645
  628   1HB   ASP  81          HB2       ASP  81  -5.652   3.954  -2.521
  629   2HB   ASP  81          HB1       ASP  81  -6.084   3.931  -4.229
  630    H    LEU  82           HN       LEU  82  -8.718   2.683  -1.032
  631    HA   LEU  82           HA       LEU  82  -9.118   0.511  -0.523
  632   1HB   LEU  82          HB2       LEU  82  -8.928   0.185  -3.520
  633   2HB   LEU  82          HB1       LEU  82  -9.459  -1.077  -2.429
  634    HG   LEU  82           HG       LEU  82 -11.445  -0.226  -3.305
  635   1HD1  LEU  82          HD11      LEU  82 -11.017   1.351  -0.774
  636   2HD1  LEU  82          HD12      LEU  82 -11.514  -0.339  -0.861
  637   3HD1  LEU  82          HD13      LEU  82 -12.569   0.924  -1.493
  638   1HD2  LEU  82          HD21      LEU  82 -10.352   2.555  -2.912
  639   2HD2  LEU  82          HD22      LEU  82 -11.944   2.150  -3.554
  640   3HD2  LEU  82          HD23      LEU  82 -10.492   1.699  -4.448
  641    H    SER  83           HN       SER  83  -6.655   1.281   0.004
  642    HA   SER  83           HA       SER  83  -4.616  -0.163  -1.381
  643   1HB   SER  83          HB2       SER  83  -4.571   1.331   1.245
  644   2HB   SER  83          HB1       SER  83  -3.143   0.660   0.455
  645    HG   SER  83           HG       SER  83  -3.146   2.274  -0.890
  646    H    PHE  84           HN       PHE  84  -6.751  -1.859  -0.237
  647    HA   PHE  84           HA       PHE  84  -6.987  -3.848   0.840
  648   1HB   PHE  84          HB2       PHE  84  -5.217  -4.659  -0.527
  649   2HB   PHE  84          HB1       PHE  84  -4.000  -3.815   0.425
  650    HD1  PHE  84           HD1      PHE  84  -2.620  -5.325   1.456
  651    HD2  PHE  84           HD2      PHE  84  -6.800  -6.113   1.334
  652    HE1  PHE  84           HE1      PHE  84  -2.276  -7.342   2.823
  653    HE2  PHE  84           HE2      PHE  84  -6.464  -8.131   2.699
  654    HZ   PHE  84           HZ       PHE  84  -4.200  -8.748   3.446
  655    H    GLY  85           HN       GLY  85  -7.386  -4.429   2.915
  656   1HA   GLY  85          HA2       GLY  85  -7.029  -4.647   5.199
  657   2HA   GLY  85          HA1       GLY  85  -5.527  -3.747   5.027
  658    H    SER  86           HN       SER  86  -8.431  -2.466   3.646
  659    HA   SER  86           HA       SER  86  -8.638  -0.577   5.887
  660   1HB   SER  86          HB2       SER  86  -8.864   0.095   2.949
  661   2HB   SER  86          HB1       SER  86  -9.144   1.221   4.280
  662    HG   SER  86           HG       SER  86  -6.959   0.889   4.900
  663    H    GLN  87           HN       GLN  87 -10.642   0.652   5.890
  664    HA   GLN  87           HA       GLN  87 -12.916  -1.058   5.130
  665   1HB   GLN  87          HB2       GLN  87 -12.914  -1.174   7.454
  666   2HB   GLN  87          HB1       GLN  87 -12.342   0.476   7.638
  667   1HG   GLN  87          HG2       GLN  87 -15.037   0.051   6.468
  668   2HG   GLN  87          HG1       GLN  87 -14.819  -0.207   8.199
  669   1HE2  GLN  87          HE21      GLN  87 -14.891   2.100   5.636
  670   2HE2  GLN  87          HE22      GLN  87 -14.817   3.518   6.614
  671    H    ILE  88           HN       ILE  88 -14.505  -0.146   3.957
  672    HA   ILE  88           HA       ILE  88 -14.519   2.787   3.678
  673    HB   ILE  88           HB       ILE  88 -15.237   2.457   1.297
  674   1HG1  ILE  88          HG12      ILE  88 -14.043  -0.297   1.523
  675   2HG1  ILE  88          HG11      ILE  88 -15.773  -0.030   1.725
  676   1HG2  ILE  88          HG21      ILE  88 -12.485   1.566   2.131
  677   2HG2  ILE  88          HG22      ILE  88 -13.017   3.203   1.747
  678   3HG2  ILE  88          HG23      ILE  88 -12.927   1.984   0.477
  679   1HD1  ILE  88          HD11      ILE  88 -15.237  -0.720  -0.539
  680   2HD1  ILE  88          HD12      ILE  88 -14.160   0.665  -0.717
  681   3HD1  ILE  88          HD13      ILE  88 -15.894   0.917  -0.512
  682    H    GLU  89           HN       GLU  89 -16.337   3.527   4.498
  683    HA   GLU  89           HA       GLU  89 -18.629   1.891   4.892
  684   1HB   GLU  89          HB2       GLU  89 -17.911   4.739   5.413
  685   2HB   GLU  89          HB1       GLU  89 -19.600   4.269   5.470
  686   1HG   GLU  89          HG2       GLU  89 -19.005   2.527   7.132
  687   2HG   GLU  89          HG1       GLU  89 -17.359   3.160   7.137
  688    H    PHE  90           HN       PHE  90 -20.828   2.976   4.330
  689    HA   PHE  90           HA       PHE  90 -20.894   4.078   1.629
  690   1HB   PHE  90          HB2       PHE  90 -22.440   1.598   2.434
  691   2HB   PHE  90          HB1       PHE  90 -22.573   2.440   0.894
  692    HD1  PHE  90           HD1      PHE  90 -20.862   2.235  -0.796
  693    HD2  PHE  90           HD2      PHE  90 -20.503   0.230   2.951
  694    HE1  PHE  90           HE1      PHE  90 -19.075   0.827  -1.724
  695    HE2  PHE  90           HE2      PHE  90 -18.714  -1.179   2.022
  696    HZ   PHE  90           HZ       PHE  90 -17.997  -0.884  -0.315
  697    H    SER  91           HN       SER  91 -22.792   5.314   1.242
  698    HA   SER  91           HA       SER  91 -24.621   5.534   3.534
  699   1HB   SER  91          HB2       SER  91 -23.397   7.873   2.057
  700   2HB   SER  91          HB1       SER  91 -24.586   7.979   3.355
  701    HG   SER  91           HG       SER  91 -23.032   6.947   4.716
  702    H    CYS  92           HN       CYS  92 -26.642   5.270   2.965
  703    HA   CYS  92           HA       CYS  92 -27.392   5.501   0.154
  704   1HB   CYS  92          HB2       CYS  92 -28.853   4.464   2.585
  705   2HB   CYS  92          HB1       CYS  92 -29.657   4.705   1.038
  706    H    SER  93           HN       SER  93 -28.234   7.266  -0.694
  707    HA   SER  93           HA       SER  93 -28.426   9.692   0.573
  708   1HB   SER  93          HB2       SER  93 -29.806   8.659  -1.895
  709   2HB   SER  93          HB1       SER  93 -29.972  10.332  -1.355
  710    HG   SER  93           HG       SER  93 -27.556   8.990  -2.019
  711    H    GLU  94           HN       GLU  94 -30.391  11.082   0.736
  712    HA   GLU  94           HA       GLU  94 -32.015  10.403   2.804
  713   1HB   GLU  94          HB2       GLU  94 -31.976  12.663   2.146
  714   2HB   GLU  94          HB1       GLU  94 -32.443  12.282   0.496
  715   1HG   GLU  94          HG2       GLU  94 -34.673  11.792   1.162
  716   2HG   GLU  94          HG1       GLU  94 -34.247  11.913   2.868
  717    H    GLY  95           HN       GLY  95 -34.153   9.692   3.048
  718   1HA   GLY  95          HA2       GLY  95 -36.060   8.497   2.567
  719   2HA   GLY  95          HA1       GLY  95 -35.719   8.730   0.861
  720    H    PHE  96           HN       PHE  96 -33.005   7.476   1.155
  721    HA   PHE  96           HA       PHE  96 -33.968   4.692   1.263
  722   1HB   PHE  96          HB2       PHE  96 -31.588   5.665  -0.329
  723   2HB   PHE  96          HB1       PHE  96 -32.392   4.103  -0.436
  724    HD1  PHE  96           HD1      PHE  96 -32.197   7.412  -1.730
  725    HD2  PHE  96           HD2      PHE  96 -34.779   4.055  -1.321
  726    HE1  PHE  96           HE1      PHE  96 -33.579   8.254  -3.582
  727    HE2  PHE  96           HE2      PHE  96 -36.169   4.892  -3.169
  728    HZ   PHE  96           HZ       PHE  96 -35.569   6.995  -4.305
  729    H    PHE  97           HN       PHE  97 -32.895   3.306   2.593
  730    HA   PHE  97           HA       PHE  97 -30.568   4.417   4.004
  731   1HB   PHE  97          HB2       PHE  97 -31.134   2.971   5.894
  732   2HB   PHE  97          HB1       PHE  97 -32.466   4.044   5.489
  733    HD1  PHE  97           HD1      PHE  97 -31.626   0.796   6.368
  734    HD2  PHE  97           HD2      PHE  97 -34.212   2.972   3.780
  735    HE1  PHE  97           HE1      PHE  97 -33.159  -1.127   6.286
  736    HE2  PHE  97           HE2      PHE  97 -35.746   1.051   3.690
  737    HZ   PHE  97           HZ       PHE  97 -35.222  -1.002   4.945
  738    H    LEU  98           HN       LEU  98 -29.159   2.672   4.977
  739    HA   LEU  98           HA       LEU  98 -28.271   1.037   2.738
  740   1HB   LEU  98          HB2       LEU  98 -26.707   2.521   3.956
  741   2HB   LEU  98          HB1       LEU  98 -26.927   1.530   5.387
  742    HG   LEU  98           HG       LEU  98 -26.028   0.229   2.853
  743   1HD1  LEU  98          HD11      LEU  98 -24.590   2.158   3.019
  744   2HD1  LEU  98          HD12      LEU  98 -23.695   0.703   3.461
  745   3HD1  LEU  98          HD13      LEU  98 -24.264   1.805   4.715
  746   1HD2  LEU  98          HD21      LEU  98 -25.497  -0.242   5.781
  747   2HD2  LEU  98          HD22      LEU  98 -24.815  -1.195   4.463
  748   3HD2  LEU  98          HD23      LEU  98 -26.559  -1.183   4.735
  749    H    ILE  99           HN       ILE  99 -28.087  -1.110   2.743
  750    HA   ILE  99           HA       ILE  99 -28.530  -2.753   5.093
  751    HB   ILE  99           HB       ILE  99 -30.260  -3.420   2.751
  752   1HG1  ILE  99          HG12      ILE  99 -31.426  -1.746   4.935
  753   2HG1  ILE  99          HG11      ILE  99 -30.599  -0.949   3.600
  754   1HG2  ILE  99          HG21      ILE  99 -30.566  -3.813   5.724
  755   2HG2  ILE  99          HG22      ILE  99 -29.980  -5.012   4.571
  756   3HG2  ILE  99          HG23      ILE  99 -31.648  -4.445   4.484
  757   1HD1  ILE  99          HD11      ILE  99 -32.932  -1.013   3.127
  758   2HD1  ILE  99          HD12      ILE  99 -32.995  -2.752   3.421
  759   3HD1  ILE  99          HD13      ILE  99 -32.109  -2.124   2.031
  760    H    GLY 100           HN       GLY 100 -26.818  -3.952   4.911
  761   1HA   GLY 100          HA2       GLY 100 -26.377  -6.022   3.200
  762   2HA   GLY 100          HA1       GLY 100 -25.606  -4.648   2.404
  763    H    SER 101           HN       SER 101 -24.441  -3.245   4.148
  764    HA   SER 101           HA       SER 101 -23.155  -4.149   6.369
  765   1HB   SER 101          HB2       SER 101 -22.263  -6.025   5.019
  766   2HB   SER 101          HB1       SER 101 -21.559  -4.869   3.887
  767    HG   SER 101           HG       SER 101 -19.897  -5.107   5.180
  768    H    THR 102           HN       THR 102 -22.919  -2.047   7.008
  769    HA   THR 102           HA       THR 102 -22.437   0.062   5.201
  770    HB   THR 102           HB       THR 102 -22.131   1.486   7.169
  771    HG1  THR 102           HG1      THR 102 -22.493  -0.744   8.856
  772   1HG2  THR 102          HG21      THR 102 -24.418   0.933   6.527
  773   2HG2  THR 102          HG22      THR 102 -24.283   1.078   8.280
  774   3HG2  THR 102          HG23      THR 102 -24.362  -0.517   7.530
  775    H    THR 103           HN       THR 103 -20.385  -2.261   6.442
  776    HA   THR 103           HA       THR 103 -18.067  -0.530   5.931
  777    HB   THR 103           HB       THR 103 -16.770  -2.037   7.350
  778    HG1  THR 103           HG1      THR 103 -18.348  -3.395   8.756
  779   1HG2  THR 103          HG21      THR 103 -17.714  -1.339   9.495
  780   2HG2  THR 103          HG22      THR 103 -19.239  -0.957   8.693
  781   3HG2  THR 103          HG23      THR 103 -17.787  -0.035   8.309
  782    H    SER 104           HN       SER 104 -16.246  -1.522   4.844
  783    HA   SER 104           HA       SER 104 -16.728  -4.071   3.541
  784   1HB   SER 104          HB2       SER 104 -17.594  -2.157   2.055
  785   2HB   SER 104          HB1       SER 104 -15.906  -1.668   1.903
  786    HG   SER 104           HG       SER 104 -16.741  -3.122   0.236
  787    H    ARG 105           HN       ARG 105 -14.960  -5.183   4.025
  788    HA   ARG 105           HA       ARG 105 -12.443  -3.777   4.533
  789   1HB   ARG 105          HB2       ARG 105 -13.137  -6.681   4.999
  790   2HB   ARG 105          HB1       ARG 105 -11.694  -5.849   5.561
  791   1HG   ARG 105          HG2       ARG 105 -13.084  -4.400   6.965
  792   2HG   ARG 105          HG1       ARG 105 -14.520  -5.265   6.416
  793   1HD   ARG 105          HD2       ARG 105 -13.631  -7.339   7.363
  794   2HD   ARG 105          HD1       ARG 105 -12.197  -6.473   7.911
  795    HE   ARG 105           HE       ARG 105 -14.569  -5.274   8.912
  796   1HH1  ARG 105          HH11      ARG 105 -12.431  -7.987   9.368
  797   2HH1  ARG 105          HH12      ARG 105 -12.803  -8.161  11.051
  798   1HH2  ARG 105          HH21      ARG 105 -15.063  -5.494  11.125
  799   2HH2  ARG 105          HH22      ARG 105 -14.299  -6.743  12.050
  800    H    CYS 106           HN       CYS 106 -10.728  -3.900   3.268
  801    HA   CYS 106           HA       CYS 106 -10.961  -5.195   0.709
  802   1HB   CYS 106          HB2       CYS 106  -9.422  -3.028   1.834
  803   2HB   CYS 106          HB1       CYS 106  -8.349  -4.169   1.031
  804    H    GLU 107           HN       GLU 107 -10.441  -7.254   0.470
  805    HA   GLU 107           HA       GLU 107  -8.475  -8.406   2.315
  806   1HB   GLU 107          HB2       GLU 107 -10.806  -9.210   2.540
  807   2HB   GLU 107          HB1       GLU 107 -10.737  -9.798   0.881
  808   1HG   GLU 107          HG2       GLU 107  -9.025 -11.378   1.444
  809   2HG   GLU 107          HG1       GLU 107  -8.908 -10.730   3.079
  810    H    VAL 108           HN       VAL 108  -7.288 -10.246   1.463
  811    HA   VAL 108           HA       VAL 108  -6.831 -10.059  -1.435
  812    HB   VAL 108           HB       VAL 108  -4.829  -9.649   0.725
  813   1HG1  VAL 108          HG11      VAL 108  -4.053 -11.629  -0.606
  814   2HG1  VAL 108          HG12      VAL 108  -2.985 -10.228  -0.686
  815   3HG1  VAL 108          HG13      VAL 108  -4.061 -10.591  -2.035
  816   1HG2  VAL 108          HG21      VAL 108  -4.035  -7.946  -0.881
  817   2HG2  VAL 108          HG22      VAL 108  -5.718  -7.727  -0.402
  818   3HG2  VAL 108          HG23      VAL 108  -5.334  -8.424  -1.975
  819    H    GLN 109           HN       GLN 109  -6.683 -11.831  -2.474
  820    HA   GLN 109           HA       GLN 109  -6.176 -14.350  -1.034
  821   1HB   GLN 109          HB2       GLN 109  -7.793 -13.885  -3.554
  822   2HB   GLN 109          HB1       GLN 109  -7.535 -15.443  -2.779
  823   1HG   GLN 109          HG2       GLN 109  -8.847 -14.852  -0.919
  824   2HG   GLN 109          HG1       GLN 109  -8.836 -13.144  -1.356
  825   1HE2  GLN 109          HE21      GLN 109 -11.067 -13.006  -1.334
  826   2HE2  GLN 109          HE22      GLN 109 -12.053 -13.710  -2.566
  827    H    ASP 110           HN       ASP 110  -4.033 -14.674  -1.350
  828    HA   ASP 110           HA       ASP 110  -2.080 -15.163  -2.406
  829   1HB   ASP 110          HB2       ASP 110  -3.964 -15.468  -4.745
  830   2HB   ASP 110          HB1       ASP 110  -2.244 -15.839  -4.842
  831    H    ARG 111           HN       ARG 111  -1.514 -14.397  -5.240
  832    HA   ARG 111           HA       ARG 111  -0.736 -11.691  -4.713
  833   1HB   ARG 111          HB2       ARG 111   0.333 -11.797  -6.926
  834   2HB   ARG 111          HB1       ARG 111   0.769 -13.175  -5.924
  835   1HG   ARG 111          HG2       ARG 111  -0.926 -14.525  -7.115
  836   2HG   ARG 111          HG1       ARG 111  -1.234 -13.144  -8.171
  837   1HD   ARG 111          HD2       ARG 111   1.105 -13.180  -8.894
  838   2HD   ARG 111          HD1       ARG 111   1.407 -14.564  -7.844
  839    HE   ARG 111           HE       ARG 111  -0.570 -15.491  -9.378
  840   1HH1  ARG 111          HH11      ARG 111   2.346 -13.769 -10.204
  841   2HH1  ARG 111          HH12      ARG 111   2.513 -14.533 -11.750
  842   1HH2  ARG 111          HH21      ARG 111  -0.356 -16.504 -11.412
  843   2HH2  ARG 111          HH22      ARG 111   0.977 -16.087 -12.436
  844    H    GLY 112           HN       GLY 112  -3.633 -12.458  -5.036
  845   1HA   GLY 112          HA2       GLY 112  -4.285 -10.302  -6.924
  846   2HA   GLY 112          HA1       GLY 112  -5.123 -11.843  -7.042
  847    H    VAL 113           HN       VAL 113  -5.107  -8.795  -5.647
  848    HA   VAL 113           HA       VAL 113  -6.293  -9.118  -3.170
  849    HB   VAL 113           HB       VAL 113  -7.250  -6.941  -4.971
  850   1HG1  VAL 113          HG11      VAL 113  -6.347  -6.980  -2.106
  851   2HG1  VAL 113          HG12      VAL 113  -8.017  -6.984  -2.669
  852   3HG1  VAL 113          HG13      VAL 113  -6.987  -5.583  -2.969
  853   1HG2  VAL 113          HG21      VAL 113  -5.068  -5.748  -4.370
  854   2HG2  VAL 113          HG22      VAL 113  -4.983  -6.989  -5.621
  855   3HG2  VAL 113          HG23      VAL 113  -4.438  -7.352  -3.982
  856    H    GLY 114           HN       GLY 114  -8.431  -9.371  -2.430
  857   1HA   GLY 114          HA2       GLY 114 -10.355  -9.949  -4.567
  858   2HA   GLY 114          HA1       GLY 114 -10.041 -11.165  -3.357
  859    H    TRP 115           HN       TRP 115 -11.518  -8.001  -3.894
  860    HA   TRP 115           HA       TRP 115 -12.546  -7.273  -1.549
  861   1HB   TRP 115          HB2       TRP 115 -13.596  -7.211  -4.289
  862   2HB   TRP 115          HB1       TRP 115 -14.844  -7.124  -3.054
  863    HD1  TRP 115           HD1      TRP 115 -13.184  -4.841  -5.125
  864    HE1  TRP 115           HE1      TRP 115 -12.860  -2.525  -4.044
  865    HE3  TRP 115           HE3      TRP 115 -13.944  -6.107  -0.231
  866    HZ2  TRP 115           HZ2      TRP 115 -12.915  -1.390  -1.470
  867    HZ3  TRP 115           HZ3      TRP 115 -13.788  -4.343   1.477
  868    HH2  TRP 115           HH2      TRP 115 -13.283  -2.035   0.869
  869    H    SER 116           HN       SER 116 -14.474  -7.667  -0.324
  870    HA   SER 116           HA       SER 116 -15.272 -10.494  -0.385
  871   1HB   SER 116          HB2       SER 116 -15.931 -10.181   1.970
  872   2HB   SER 116          HB1       SER 116 -14.241  -9.747   1.714
  873    HG   SER 116           HG       SER 116 -15.627  -7.559   1.311
  874    H    HIS 117           HN       HIS 117 -16.528  -7.197  -0.251
  875    HA   HIS 117           HA       HIS 117 -19.010  -8.035  -1.452
  876   1HB   HIS 117          HB2       HIS 117 -19.364  -8.453   0.996
  877   2HB   HIS 117          HB1       HIS 117 -19.113  -6.734   1.275
  878    HD1  HIS 117           HD1      HIS 117 -21.518  -9.083  -0.453
  879    HD2  HIS 117           HD2      HIS 117 -21.324  -5.163   0.913
  880    HE1  HIS 117           HE1      HIS 117 -23.852  -8.175  -0.681
  881    HE2  HIS 117           HE2      HIS 117 -23.731  -5.836   0.246
  882    HA   PRO 118           HA       PRO 118 -18.475  -3.817  -2.794
  883   1HB   PRO 118          HB2       PRO 118 -20.225  -3.841  -4.799
  884   2HB   PRO 118          HB1       PRO 118 -18.768  -4.838  -4.859
  885   1HG   PRO 118          HG2       PRO 118 -21.585  -5.626  -4.319
  886   2HG   PRO 118          HG1       PRO 118 -20.302  -6.531  -5.139
  887   1HD   PRO 118          HD2       PRO 118 -21.121  -6.805  -2.444
  888   2HD   PRO 118          HD1       PRO 118 -19.694  -7.539  -3.202
  889    H    LEU 119           HN       LEU 119 -20.583  -2.370  -3.953
  890    HA   LEU 119           HA       LEU 119 -21.621  -0.869  -1.978
  891   1HB   LEU 119          HB2       LEU 119 -23.276  -1.509  -4.398
  892   2HB   LEU 119          HB1       LEU 119 -23.154  -0.002  -3.524
  893    HG   LEU 119           HG       LEU 119 -22.005   0.439  -5.475
  894   1HD1  LEU 119          HD11      LEU 119 -19.623   0.561  -4.887
  895   2HD1  LEU 119          HD12      LEU 119 -19.937  -0.483  -3.499
  896   3HD1  LEU 119          HD13      LEU 119 -20.682   1.116  -3.591
  897   1HD2  LEU 119          HD21      LEU 119 -21.977  -1.750  -6.439
  898   2HD2  LEU 119          HD22      LEU 119 -20.779  -2.295  -5.266
  899   3HD2  LEU 119          HD23      LEU 119 -20.343  -1.090  -6.476
  900    HA   PRO 120           HA       PRO 120 -24.845  -3.236  -0.048
  901   1HB   PRO 120          HB2       PRO 120 -25.997  -1.319   1.402
  902   2HB   PRO 120          HB1       PRO 120 -24.332  -1.815   1.726
  903   1HG   PRO 120          HG2       PRO 120 -25.348   0.584   0.258
  904   2HG   PRO 120          HG1       PRO 120 -23.992   0.457   1.392
  905   1HD   PRO 120          HD2       PRO 120 -23.769   0.452  -1.377
  906   2HD   PRO 120          HD1       PRO 120 -22.542  -0.163  -0.253
  907    H    GLN 121           HN       GLN 121 -27.368  -2.397   0.604
  908    HA   GLN 121           HA       GLN 121 -28.602  -1.930  -2.018
  909   1HB   GLN 121          HB2       GLN 121 -29.471  -3.463   0.417
  910   2HB   GLN 121          HB1       GLN 121 -30.616  -2.981  -0.818
  911   1HG   GLN 121          HG2       GLN 121 -29.388  -4.244  -2.487
  912   2HG   GLN 121          HG1       GLN 121 -28.184  -4.688  -1.277
  913   1HE2  GLN 121          HE21      GLN 121 -29.915  -6.380  -2.908
  914   2HE2  GLN 121          HE22      GLN 121 -30.822  -7.345  -1.798
  915    H    CYS 122           HN       CYS 122 -29.451   0.060  -2.292
  916    HA   CYS 122           HA       CYS 122 -30.273   1.539   0.106
  917   1HB   CYS 122          HB2       CYS 122 -29.643   2.469  -2.702
  918   2HB   CYS 122          HB1       CYS 122 -30.311   3.519  -1.457
  919    H    GLU 123           HN       GLU 123 -32.364   1.221   0.604
  920    HA   GLU 123           HA       GLU 123 -34.343   1.258  -1.583
  921   1HB   GLU 123          HB2       GLU 123 -34.094  -1.025  -0.717
  922   2HB   GLU 123          HB1       GLU 123 -34.368  -0.440   0.920
  923   1HG   GLU 123          HG2       GLU 123 -36.379  -1.442   0.142
  924   2HG   GLU 123          HG1       GLU 123 -36.629   0.303   0.215
  925    H    ILE 124           HN       ILE 124 -36.252   2.259  -1.189
  926    HA   ILE 124           HA       ILE 124 -36.178   4.560   0.409
  927    HB   ILE 124           HB       ILE 124 -37.578   4.410  -1.577
  928   1HG1  ILE 124          HG12      ILE 124 -39.740   5.270  -0.564
  929   2HG1  ILE 124          HG11      ILE 124 -39.059   4.884   1.013
  930   1HG2  ILE 124          HG21      ILE 124 -39.609   3.088  -1.629
  931   2HG2  ILE 124          HG22      ILE 124 -39.276   2.474  -0.008
  932   3HG2  ILE 124          HG23      ILE 124 -38.211   2.049  -1.348
  933   1HD1  ILE 124          HD11      ILE 124 -37.199   6.421   0.564
  934   2HD1  ILE 124          HD12      ILE 124 -38.769   7.224   0.531
  935   3HD1  ILE 124          HD13      ILE 124 -37.943   6.840  -0.979
  936    H    LEU 125           HN       LEU 125 -37.179   5.107   2.323
  937    HA   LEU 125           HA       LEU 125 -38.287   2.889   3.908
  938   1HB   LEU 125          HB2       LEU 125 -37.204   3.835   5.895
  939   2HB   LEU 125          HB1       LEU 125 -36.043   3.334   4.683
  940    HG   LEU 125           HG       LEU 125 -36.109   5.857   3.980
  941   1HD1  LEU 125          HD11      LEU 125 -36.979   6.012   6.862
  942   2HD1  LEU 125          HD12      LEU 125 -37.958   6.466   5.467
  943   3HD1  LEU 125          HD13      LEU 125 -36.490   7.366   5.844
  944   1HD2  LEU 125          HD21      LEU 125 -34.149   4.688   4.827
  945   2HD2  LEU 125          HD22      LEU 125 -34.726   4.900   6.481
  946   3HD2  LEU 125          HD23      LEU 125 -34.265   6.305   5.520
  947    H    GLU 126           HN       GLU 126 -38.558   6.113   2.811
  948    HA   GLU 126           HA       GLU 126 -40.376   7.028   4.834
  949   1HB   GLU 126          HB2       GLU 126 -38.996   8.622   3.614
  950   2HB   GLU 126          HB1       GLU 126 -39.732   8.133   2.095
  951   1HG   GLU 126          HG2       GLU 126 -40.640  10.243   2.866
  952   2HG   GLU 126          HG1       GLU 126 -41.883   8.993   2.847
  953    H    HIS 127           HN       HIS 127 -40.980   6.810   1.332
  954    HA   HIS 127           HA       HIS 127 -43.770   6.201   1.882
  955   1HB   HIS 127          HB2       HIS 127 -43.113   7.900   0.169
  956   2HB   HIS 127          HB1       HIS 127 -42.412   6.601  -0.789
  957    HD1  HIS 127           HD1      HIS 127 -45.806   7.252   0.821
  958    HD2  HIS 127           HD2      HIS 127 -44.136   5.774  -2.685
  959    HE1  HIS 127           HE1      HIS 127 -47.755   6.662  -0.655
  960    HE2  HIS 127           HE2      HIS 127 -46.722   5.728  -2.754
  961    H    HIS 128           HN       HIS 128 -44.847   4.360   1.185
  962    HA   HIS 128           HA       HIS 128 -43.357   1.953   1.256
  963   1HB   HIS 128          HB2       HIS 128 -45.713   2.209   2.054
  964   2HB   HIS 128          HB1       HIS 128 -46.226   2.321   0.374
  965    HD1  HIS 128           HD1      HIS 128 -45.197  -0.101   2.980
  966    HD2  HIS 128           HD2      HIS 128 -46.051  -0.112  -1.087
  967    HE1  HIS 128           HE1      HIS 128 -45.473  -2.522   2.357
  968    HE2  HIS 128           HE2      HIS 128 -46.056  -2.500  -0.094
  969    H    HIS 129           HN       HIS 129 -45.491   3.129  -1.353
  970    HA   HIS 129           HA       HIS 129 -44.656   1.350  -3.305
  971   1HB   HIS 129          HB2       HIS 129 -45.700   4.170  -3.599
  972   2HB   HIS 129          HB1       HIS 129 -45.513   3.045  -4.941
  973    HD1  HIS 129           HD1      HIS 129 -47.890   4.111  -2.430
  974    HD2  HIS 129           HD2      HIS 129 -47.172   0.630  -4.584
  975    HE1  HIS 129           HE1      HIS 129 -50.007   2.763  -2.257
  976    HE2  HIS 129           HE2      HIS 129 -49.517   0.623  -3.492
  977    H    HIS 130           HN       HIS 130 -43.369   1.709  -5.230
  978    HA   HIS 130           HA       HIS 130 -41.044   3.449  -4.722
  979   1HB   HIS 130          HB2       HIS 130 -39.687   1.768  -5.938
  980   2HB   HIS 130          HB1       HIS 130 -40.420   1.112  -4.478
  981    HD1  HIS 130           HD1      HIS 130 -42.162  -0.745  -4.757
  982    HD2  HIS 130           HD2      HIS 130 -40.702   0.726  -8.358
  983    HE1  HIS 130           HE1      HIS 130 -42.958  -2.358  -6.515
  984    HE2  HIS 130           HE2      HIS 130 -42.165  -1.379  -8.696
  985    H    HIS 131           HN       HIS 131 -43.664   3.582  -6.407
  986    HA   HIS 131           HA       HIS 131 -42.532   3.955  -9.068
  987   1HB   HIS 131          HB2       HIS 131 -45.384   4.203  -8.090
  988   2HB   HIS 131          HB1       HIS 131 -44.869   4.318  -9.770
  989    HD1  HIS 131           HD1      HIS 131 -45.572   1.872  -7.066
  990    HD2  HIS 131           HD2      HIS 131 -44.104   1.862 -10.953
  991    HE1  HIS 131           HE1      HIS 131 -45.603  -0.536  -7.791
  992    HE2  HIS 131           HE2      HIS 131 -44.603  -0.528 -10.103
  993    H    HIS 132           HN       HIS 132 -42.614   5.905 -10.207
  994    HA   HIS 132           HA       HIS 132 -42.596   8.276  -8.490
  995   1HB   HIS 132          HB2       HIS 132 -40.606   7.835  -9.888
  996   2HB   HIS 132          HB1       HIS 132 -41.608   7.933 -11.331
  997    HD1  HIS 132           HD1      HIS 132 -39.674   9.983  -8.996
  998    HD2  HIS 132           HD2      HIS 132 -42.660  10.593 -11.823
  999    HE1  HIS 132           HE1      HIS 132 -39.668  12.455  -9.460
 1000    HE2  HIS 132           HE2      HIS 132 -41.444  12.792 -11.216
  Start of MODEL   39
    1   1H    MET   0           HT1      MET   0  33.605  -5.196   0.160
    2   2H    MET   0           HT2      MET   0  31.930  -5.212  -0.074
    3   3H    MET   0           HT3      MET   0  32.618  -4.129   1.028
    4    HA   MET   0           HA       MET   0  33.747  -2.971  -0.741
    5   1HB   MET   0          HB2       MET   0  32.289  -4.938  -2.518
    6   2HB   MET   0          HB1       MET   0  33.185  -3.536  -3.087
    7   1HG   MET   0          HG2       MET   0  34.372  -5.832  -1.548
    8   2HG   MET   0          HG1       MET   0  34.438  -5.641  -3.299
    9   1HE   MET   0          HE1       MET   0  34.883  -2.470  -3.587
   10   2HE   MET   0          HE2       MET   0  35.709  -3.711  -4.528
   11   3HE   MET   0          HE3       MET   0  36.642  -2.453  -3.719
   12    H    ASN   1           HN       ASN   1  32.414  -1.742  -2.628
   13    HA   ASN   1           HA       ASN   1  30.049  -0.748  -1.254
   14   1HB   ASN   1          HB2       ASN   1  31.833   0.301  -3.416
   15   2HB   ASN   1          HB1       ASN   1  30.206   0.958  -3.247
   16   1HD2  ASN   1          HD21      ASN   1  29.648   2.047  -1.361
   17   2HD2  ASN   1          HD22      ASN   1  30.837   2.703  -0.296
   18    H    CYS   2           HN       CYS   2  28.045  -0.386  -2.340
   19    HA   CYS   2           HA       CYS   2  27.496  -2.440  -4.357
   20   1HB   CYS   2          HB2       CYS   2  25.701  -0.974  -2.428
   21   2HB   CYS   2          HB1       CYS   2  25.083  -1.999  -3.720
   22    H    GLY   3           HN       GLY   3  25.710  -1.872  -5.933
   23   1HA   GLY   3          HA2       GLY   3  26.483   0.447  -7.406
   24   2HA   GLY   3          HA1       GLY   3  25.147  -0.629  -7.795
   25    HA   PRO   4           HA       PRO   4  24.066   3.804  -5.884
   26   1HB   PRO   4          HB2       PRO   4  22.961   3.857  -8.676
   27   2HB   PRO   4          HB1       PRO   4  23.503   5.200  -7.661
   28   1HG   PRO   4          HG2       PRO   4  25.107   4.272  -9.548
   29   2HG   PRO   4          HG1       PRO   4  25.763   4.670  -7.950
   30   1HD   PRO   4          HD2       PRO   4  25.213   1.999  -9.158
   31   2HD   PRO   4          HD1       PRO   4  26.495   2.489  -8.031
   32    HA   PRO   5           HA       PRO   5  20.291   1.934  -4.531
   33   1HB   PRO   5          HB2       PRO   5  19.408   4.775  -4.327
   34   2HB   PRO   5          HB1       PRO   5  19.334   3.483  -3.123
   35   1HG   PRO   5          HG2       PRO   5  21.180   5.381  -2.937
   36   2HG   PRO   5          HG1       PRO   5  21.585   3.692  -2.574
   37   1HD   PRO   5          HD2       PRO   5  22.219   5.317  -5.000
   38   2HD   PRO   5          HD1       PRO   5  23.202   4.092  -4.175
   39    HA   PRO   6           HA       PRO   6  17.745   2.208  -8.203
   40   1HB   PRO   6          HB2       PRO   6  16.101   0.124  -7.122
   41   2HB   PRO   6          HB1       PRO   6  17.352  -0.019  -8.356
   42   1HG   PRO   6          HG2       PRO   6  17.505  -1.126  -5.838
   43   2HG   PRO   6          HG1       PRO   6  18.903  -0.755  -6.861
   44   1HD   PRO   6          HD2       PRO   6  17.760   0.801  -4.577
   45   2HD   PRO   6          HD1       PRO   6  19.460   0.521  -5.017
   46    H    THR   7           HN       THR   7  15.267   1.861  -8.483
   47    HA   THR   7           HA       THR   7  13.939   3.825  -6.752
   48    HB   THR   7           HB       THR   7  13.032   2.737  -9.432
   49    HG1  THR   7           HG1      THR   7  13.818   5.391  -9.161
   50   1HG2  THR   7          HG21      THR   7  11.461   4.630  -9.395
   51   2HG2  THR   7          HG22      THR   7  12.019   5.052  -7.776
   52   3HG2  THR   7          HG23      THR   7  11.181   3.525  -8.049
   53    H    LEU   8           HN       LEU   8  12.335   3.203  -5.382
   54    HA   LEU   8           HA       LEU   8  11.301   0.471  -5.708
   55   1HB   LEU   8          HB2       LEU   8  11.656   1.920  -3.093
   56   2HB   LEU   8          HB1       LEU   8  11.241   0.233  -3.328
   57    HG   LEU   8           HG       LEU   8  13.557   0.107  -4.531
   58   1HD1  LEU   8          HD11      LEU   8  13.951   2.516  -2.766
   59   2HD1  LEU   8          HD12      LEU   8  13.967   2.517  -4.529
   60   3HD1  LEU   8          HD13      LEU   8  15.212   1.642  -3.637
   61   1HD2  LEU   8          HD21      LEU   8  12.981  -1.065  -2.465
   62   2HD2  LEU   8          HD22      LEU   8  13.340   0.392  -1.537
   63   3HD2  LEU   8          HD23      LEU   8  14.629  -0.439  -2.410
   64    H    SER   9           HN       SER   9   9.370   0.380  -3.888
   65    HA   SER   9           HA       SER   9   7.535   2.602  -4.496
   66   1HB   SER   9          HB2       SER   9   6.888  -0.351  -4.653
   67   2HB   SER   9          HB1       SER   9   5.704   0.948  -4.793
   68    HG   SER   9           HG       SER   9   7.946   0.595  -6.497
   69    H    PHE  10           HN       PHE  10   7.970  -0.308  -2.493
   70    HA   PHE  10           HA       PHE  10   6.111   0.345  -0.521
   71   1HB   PHE  10          HB2       PHE  10   7.870  -1.046   0.944
   72   2HB   PHE  10          HB1       PHE  10   6.770  -1.805  -0.200
   73    HD1  PHE  10           HD1      PHE  10   7.585  -2.685  -2.311
   74    HD2  PHE  10           HD2      PHE  10  10.229  -0.892   0.500
   75    HE1  PHE  10           HE1      PHE  10   9.505  -3.671  -3.494
   76    HE2  PHE  10           HE2      PHE  10  12.153  -1.873  -0.677
   77    HZ   PHE  10           HZ       PHE  10  11.793  -3.265  -2.678
   78    H    ALA  11           HN       ALA  11   9.210   1.704  -1.168
   79    HA   ALA  11           HA       ALA  11   8.782   3.572   1.024
   80   1HB   ALA  11          HB1       ALA  11  10.113   1.720   1.973
   81   2HB   ALA  11          HB2       ALA  11  10.962   3.265   1.990
   82   3HB   ALA  11          HB3       ALA  11  11.368   2.049   0.778
   83    H    ALA  12           HN       ALA  12   9.890   5.459   0.900
   84    HA   ALA  12           HA       ALA  12  11.419   5.991  -1.563
   85   1HB   ALA  12          HB1       ALA  12   9.510   7.859  -0.155
   86   2HB   ALA  12          HB2       ALA  12   9.193   7.007  -1.667
   87   3HB   ALA  12          HB3       ALA  12  10.455   8.237  -1.596
   88    HA   PRO  13           HA       PRO  13  14.874   7.306   0.871
   89   1HB   PRO  13          HB2       PRO  13  14.848   9.757  -0.831
   90   2HB   PRO  13          HB1       PRO  13  16.183   8.663  -0.456
   91   1HG   PRO  13          HG2       PRO  13  14.965   8.575  -2.828
   92   2HG   PRO  13          HG1       PRO  13  15.508   7.092  -2.022
   93   1HD   PRO  13          HD2       PRO  13  12.756   8.184  -2.333
   94   2HD   PRO  13          HD1       PRO  13  13.302   6.497  -2.262
   95    H    MET  14           HN       MET  14  15.285   8.587   2.653
   96    HA   MET  14           HA       MET  14  13.782  11.031   3.065
   97   1HB   MET  14          HB2       MET  14  12.268   9.180   3.810
   98   2HB   MET  14          HB1       MET  14  13.472   8.748   5.016
   99   1HG   MET  14          HG2       MET  14  13.249  11.039   5.960
  100   2HG   MET  14          HG1       MET  14  11.919  11.316   4.836
  101   1HE   MET  14          HE1       MET  14  10.011  10.938   8.215
  102   2HE   MET  14          HE2       MET  14  10.178  11.895   6.743
  103   3HE   MET  14          HE3       MET  14  11.521  11.783   7.881
  104    H    ASP  15           HN       ASP  15  16.449   9.057   3.617
  105    HA   ASP  15           HA       ASP  15  17.772  11.134   5.111
  106   1HB   ASP  15          HB2       ASP  15  16.609   9.790   6.873
  107   2HB   ASP  15          HB1       ASP  15  17.547   8.391   6.362
  108    H    ILE  16           HN       ILE  16  18.913  11.036   3.067
  109    HA   ILE  16           HA       ILE  16  21.337   9.645   3.236
  110    HB   ILE  16           HB       ILE  16  20.214   7.687   2.577
  111   1HG1  ILE  16          HG12      ILE  16  21.379   8.880   0.066
  112   2HG1  ILE  16          HG11      ILE  16  22.321   8.157   1.366
  113   1HG2  ILE  16          HG21      ILE  16  18.719   7.524   0.659
  114   2HG2  ILE  16          HG22      ILE  16  18.903   9.256   0.377
  115   3HG2  ILE  16          HG23      ILE  16  18.123   8.681   1.850
  116   1HD1  ILE  16          HD11      ILE  16  22.063   6.630  -0.504
  117   2HD1  ILE  16          HD12      ILE  16  20.308   6.726  -0.351
  118   3HD1  ILE  16          HD13      ILE  16  21.267   6.004   0.940
  119    H    THR  17           HN       THR  17  22.249  11.634   2.757
  120    HA   THR  17           HA       THR  17  21.519  13.363   0.720
  121    HB   THR  17           HB       THR  17  23.965  14.030   0.644
  122    HG1  THR  17           HG1      THR  17  25.297  13.070   2.242
  123   1HG2  THR  17          HG21      THR  17  22.627  13.905   3.350
  124   2HG2  THR  17          HG22      THR  17  22.386  15.151   2.124
  125   3HG2  THR  17          HG23      THR  17  23.954  14.982   2.914
  126    H    LEU  18           HN       LEU  18  21.333  12.990  -1.391
  127    HA   LEU  18           HA       LEU  18  22.450  10.657  -2.571
  128   1HB   LEU  18          HB2       LEU  18  20.651  12.855  -3.424
  129   2HB   LEU  18          HB1       LEU  18  21.491  11.982  -4.686
  130    HG   LEU  18           HG       LEU  18  19.301  11.022  -4.377
  131   1HD1  LEU  18          HD11      LEU  18  21.471   9.270  -3.235
  132   2HD1  LEU  18          HD12      LEU  18  21.052   9.459  -4.938
  133   3HD1  LEU  18          HD13      LEU  18  19.913   8.695  -3.828
  134   1HD2  LEU  18          HD21      LEU  18  20.056  10.439  -1.524
  135   2HD2  LEU  18          HD22      LEU  18  18.502  10.158  -2.309
  136   3HD2  LEU  18          HD23      LEU  18  19.056  11.806  -2.012
  137    H    THR  19           HN       THR  19  24.420  12.447  -1.577
  138    HA   THR  19           HA       THR  19  25.605  13.758  -3.882
  139    HB   THR  19           HB       THR  19  27.242  14.641  -2.370
  140    HG1  THR  19           HG1      THR  19  27.652  13.766  -0.433
  141   1HG2  THR  19          HG21      THR  19  25.778  15.670  -0.617
  142   2HG2  THR  19          HG22      THR  19  24.483  14.590  -1.139
  143   3HG2  THR  19          HG23      THR  19  25.136  15.791  -2.255
  144    H    GLU  20           HN       GLU  20  25.960  10.853  -2.005
  145    HA   GLU  20           HA       GLU  20  28.456  10.175  -3.381
  146   1HB   GLU  20          HB2       GLU  20  27.025   8.842  -1.076
  147   2HB   GLU  20          HB1       GLU  20  28.515   8.249  -1.796
  148   1HG   GLU  20          HG2       GLU  20  28.151  10.904  -0.426
  149   2HG   GLU  20          HG1       GLU  20  28.942   9.483   0.254
  150    H    THR  21           HN       THR  21  28.647   8.427  -4.740
  151    HA   THR  21           HA       THR  21  26.120   7.371  -5.778
  152    HB   THR  21           HB       THR  21  28.771   6.815  -7.055
  153    HG1  THR  21           HG1      THR  21  27.366   9.143  -7.765
  154   1HG2  THR  21          HG21      THR  21  26.010   7.351  -8.152
  155   2HG2  THR  21          HG22      THR  21  26.758   5.765  -7.959
  156   3HG2  THR  21          HG23      THR  21  27.433   6.925  -9.103
  157    H    ARG  22           HN       ARG  22  28.638   6.481  -3.728
  158    HA   ARG  22           HA       ARG  22  28.009   3.625  -4.077
  159   1HB   ARG  22          HB2       ARG  22  30.641   4.751  -3.137
  160   2HB   ARG  22          HB1       ARG  22  30.252   3.058  -3.402
  161   1HG   ARG  22          HG2       ARG  22  29.979   3.502  -5.796
  162   2HG   ARG  22          HG1       ARG  22  30.399   5.195  -5.520
  163   1HD   ARG  22          HD2       ARG  22  32.580   4.416  -4.583
  164   2HD   ARG  22          HD1       ARG  22  32.155   2.783  -5.095
  165    HE   ARG  22           HE       ARG  22  32.155   4.876  -7.125
  166   1HH1  ARG  22          HH11      ARG  22  33.740   2.129  -5.683
  167   2HH1  ARG  22          HH12      ARG  22  34.779   1.853  -7.041
  168   1HH2  ARG  22          HH21      ARG  22  33.519   4.523  -8.915
  169   2HH2  ARG  22          HH22      ARG  22  34.654   3.215  -8.877
  170    H    PHE  23           HN       PHE  23  28.146   2.357  -2.078
  171    HA   PHE  23           HA       PHE  23  28.171   3.797   0.443
  172   1HB   PHE  23          HB2       PHE  23  25.730   2.200  -0.364
  173   2HB   PHE  23          HB1       PHE  23  25.959   3.107   1.127
  174    HD1  PHE  23           HD1      PHE  23  25.505   3.425  -2.517
  175    HD2  PHE  23           HD2      PHE  23  25.479   5.416   1.243
  176    HE1  PHE  23           HE1      PHE  23  24.526   5.405  -3.581
  177    HE2  PHE  23           HE2      PHE  23  24.484   7.403   0.184
  178    HZ   PHE  23           HZ       PHE  23  24.006   7.400  -2.232
  179    H    LYS  24           HN       LYS  24  29.588   2.599   1.527
  180    HA   LYS  24           HA       LYS  24  30.438   0.053   1.004
  181   1HB   LYS  24          HB2       LYS  24  30.950   0.040   3.590
  182   2HB   LYS  24          HB1       LYS  24  31.825   1.090   2.485
  183   1HG   LYS  24          HG2       LYS  24  30.269   2.928   3.069
  184   2HG   LYS  24          HG1       LYS  24  29.512   1.861   4.253
  185   1HD   LYS  24          HD2       LYS  24  32.443   2.560   4.266
  186   2HD   LYS  24          HD1       LYS  24  31.222   3.438   5.190
  187   1HE   LYS  24          HE2       LYS  24  31.852   0.500   5.446
  188   2HE   LYS  24          HE1       LYS  24  32.369   1.763   6.561
  189   1HZ   LYS  24          HZ1       LYS  24  29.561   0.978   5.994
  190   2HZ   LYS  24          HZ2       LYS  24  30.030   2.235   7.024
  191   3HZ   LYS  24          HZ3       LYS  24  30.429   0.636   7.406
  192    H    THR  25           HN       THR  25  30.271  -1.915   2.333
  193    HA   THR  25           HA       THR  25  27.601  -2.827   2.374
  194    HB   THR  25           HB       THR  25  28.727  -4.778   3.658
  195    HG1  THR  25           HG1      THR  25  31.018  -4.842   3.023
  196   1HG2  THR  25          HG21      THR  25  29.289  -5.833   1.573
  197   2HG2  THR  25          HG22      THR  25  29.570  -4.269   0.808
  198   3HG2  THR  25          HG23      THR  25  27.936  -4.743   1.263
  199    H    GLY  26           HN       GLY  26  29.125  -0.905   4.561
  200   1HA   GLY  26          HA2       GLY  26  27.775  -2.102   6.888
  201   2HA   GLY  26          HA1       GLY  26  29.042  -0.883   6.958
  202    H    THR  27           HN       THR  27  27.540   0.388   4.620
  203    HA   THR  27           HA       THR  27  26.228   2.408   6.068
  204    HB   THR  27           HB       THR  27  27.112   2.488   3.652
  205    HG1  THR  27           HG1      THR  27  24.761   3.768   3.407
  206   1HG2  THR  27          HG21      THR  27  25.440   0.537   3.089
  207   2HG2  THR  27          HG22      THR  27  25.791   1.794   1.905
  208   3HG2  THR  27          HG23      THR  27  24.304   1.868   2.856
  209    H    THR  28           HN       THR  28  23.894   3.031   5.800
  210    HA   THR  28           HA       THR  28  22.016   0.927   5.251
  211    HB   THR  28           HB       THR  28  22.267   1.929   8.095
  212    HG1  THR  28           HG1      THR  28  22.632  -0.369   8.467
  213   1HG2  THR  28          HG21      THR  28  20.417   0.388   8.582
  214   2HG2  THR  28          HG22      THR  28  20.280   0.014   6.863
  215   3HG2  THR  28          HG23      THR  28  19.929   1.643   7.443
  216    H    LEU  29           HN       LEU  29  20.312   1.815   4.354
  217    HA   LEU  29           HA       LEU  29  19.943   4.685   4.498
  218   1HB   LEU  29          HB2       LEU  29  18.537   2.554   2.893
  219   2HB   LEU  29          HB1       LEU  29  18.134   4.258   2.811
  220    HG   LEU  29           HG       LEU  29  20.527   4.675   2.088
  221   1HD1  LEU  29          HD11      LEU  29  21.502   2.597   2.880
  222   2HD1  LEU  29          HD12      LEU  29  21.730   2.764   1.139
  223   3HD1  LEU  29          HD13      LEU  29  20.486   1.680   1.766
  224   1HD2  LEU  29          HD21      LEU  29  18.687   4.712   0.508
  225   2HD2  LEU  29          HD22      LEU  29  18.772   2.958   0.338
  226   3HD2  LEU  29          HD23      LEU  29  20.106   3.965  -0.224
  227    H    LYS  30           HN       LYS  30  17.626   5.504   4.627
  228    HA   LYS  30           HA       LYS  30  16.324   4.249   6.939
  229   1HB   LYS  30          HB2       LYS  30  17.132   6.690   6.994
  230   2HB   LYS  30          HB1       LYS  30  15.781   7.028   5.914
  231   1HG   LYS  30          HG2       LYS  30  15.135   7.526   8.167
  232   2HG   LYS  30          HG1       LYS  30  14.240   6.110   7.610
  233   1HD   LYS  30          HD2       LYS  30  15.805   4.651   8.798
  234   2HD   LYS  30          HD1       LYS  30  16.703   6.065   9.353
  235   1HE   LYS  30          HE2       LYS  30  13.824   5.435   9.994
  236   2HE   LYS  30          HE1       LYS  30  15.194   5.223  11.084
  237   1HZ   LYS  30          HZ1       LYS  30  15.576   7.594  11.037
  238   2HZ   LYS  30          HZ2       LYS  30  13.986   7.282  11.518
  239   3HZ   LYS  30          HZ3       LYS  30  14.303   7.817   9.946
  240    H    TYR  31           HN       TYR  31  15.148   6.378   4.369
  241    HA   TYR  31           HA       TYR  31  13.388   6.266   2.956
  242   1HB   TYR  31          HB2       TYR  31  14.054   3.382   3.323
  243   2HB   TYR  31          HB1       TYR  31  12.540   3.794   2.522
  244    HD1  TYR  31           HD1      TYR  31  16.018   5.175   2.391
  245    HD2  TYR  31           HD2      TYR  31  12.716   3.575   0.238
  246    HE1  TYR  31           HE1      TYR  31  17.236   5.516   0.284
  247    HE2  TYR  31           HE2      TYR  31  13.926   3.910  -1.877
  248    HH   TYR  31           HH       TYR  31  15.754   5.338  -2.746
  249    H    THR  32           HN       THR  32  11.263   6.573   3.109
  250    HA   THR  32           HA       THR  32   9.957   5.706   5.598
  251    HB   THR  32           HB       THR  32   9.827   7.987   5.758
  252    HG1  THR  32           HG1      THR  32   7.724   8.540   5.300
  253   1HG2  THR  32          HG21      THR  32   9.519   8.152   2.758
  254   2HG2  THR  32          HG22      THR  32  10.996   8.468   3.671
  255   3HG2  THR  32          HG23      THR  32   9.596   9.526   3.862
  256    H    CYS  33           HN       CYS  33   8.775   3.959   5.203
  257    HA   CYS  33           HA       CYS  33   7.798   3.103   2.762
  258   1HB   CYS  33          HB2       CYS  33   7.093   2.486   5.593
  259   2HB   CYS  33          HB1       CYS  33   6.049   1.884   4.314
  260    H    LEU  34           HN       LEU  34   6.643   4.203   1.513
  261    HA   LEU  34           HA       LEU  34   5.065   6.297   1.645
  262   1HB   LEU  34          HB2       LEU  34   4.616   3.784   0.069
  263   2HB   LEU  34          HB1       LEU  34   3.586   5.186  -0.136
  264    HG   LEU  34           HG       LEU  34   5.447   4.971  -1.818
  265   1HD1  LEU  34          HD11      LEU  34   5.412   7.435  -0.091
  266   2HD1  LEU  34          HD12      LEU  34   4.374   7.102  -1.477
  267   3HD1  LEU  34          HD13      LEU  34   6.107   7.341  -1.709
  268   1HD2  LEU  34          HD21      LEU  34   7.203   5.669   0.517
  269   2HD2  LEU  34          HD22      LEU  34   7.697   5.583  -1.173
  270   3HD2  LEU  34          HD23      LEU  34   7.177   4.123  -0.331
  271    HA   PRO  35           HA       PRO  35   2.017   5.731   4.814
  272   1HB   PRO  35          HB2       PRO  35   0.585   7.674   3.059
  273   2HB   PRO  35          HB1       PRO  35   0.840   7.711   4.807
  274   1HG   PRO  35          HG2       PRO  35   2.284   9.245   3.172
  275   2HG   PRO  35          HG1       PRO  35   3.008   8.496   4.606
  276   1HD   PRO  35          HD2       PRO  35   3.321   7.797   1.737
  277   2HD   PRO  35          HD1       PRO  35   4.464   7.605   3.079
  278    H    GLY  36           HN       GLY  36   0.711   4.053   4.921
  279   1HA   GLY  36          HA2       GLY  36  -1.483   3.155   4.482
  280   2HA   GLY  36          HA1       GLY  36  -1.338   3.735   2.831
  281    H    TYR  37           HN       TYR  37   1.318   2.770   2.416
  282    HA   TYR  37           HA       TYR  37   1.501   0.704   1.024
  283   1HB   TYR  37          HB2       TYR  37   3.516  -0.144   2.101
  284   2HB   TYR  37          HB1       TYR  37   3.477   1.618   2.136
  285    HD1  TYR  37           HD1      TYR  37   3.882  -1.323   4.044
  286    HD2  TYR  37           HD2      TYR  37   2.553   2.712   4.286
  287    HE1  TYR  37           HE1      TYR  37   4.172  -1.382   6.494
  288    HE2  TYR  37           HE2      TYR  37   2.850   2.672   6.734
  289    HH   TYR  37           HH       TYR  37   2.928   1.008   8.553
  290    H    VAL  38           HN       VAL  38   1.756  -1.546   1.047
  291    HA   VAL  38           HA       VAL  38  -0.318  -2.786   2.722
  292    HB   VAL  38           HB       VAL  38   0.717  -3.725   0.048
  293   1HG1  VAL  38          HG11      VAL  38  -1.304  -5.146   0.083
  294   2HG1  VAL  38          HG12      VAL  38  -1.581  -4.644   1.751
  295   3HG1  VAL  38          HG13      VAL  38  -0.132  -5.559   1.335
  296   1HG2  VAL  38          HG21      VAL  38  -1.803  -2.241   0.769
  297   2HG2  VAL  38          HG22      VAL  38  -1.455  -2.938  -0.813
  298   3HG2  VAL  38          HG23      VAL  38  -0.458  -1.624  -0.190
  299    H    ARG  39           HN       ARG  39   0.140  -5.242   3.018
  300    HA   ARG  39           HA       ARG  39   2.781  -5.378   4.199
  301   1HB   ARG  39          HB2       ARG  39   0.286  -7.004   4.530
  302   2HB   ARG  39          HB1       ARG  39   1.820  -7.524   5.214
  303   1HG   ARG  39          HG2       ARG  39   0.640  -6.414   6.932
  304   2HG   ARG  39          HG1       ARG  39   1.918  -5.317   6.408
  305   1HD   ARG  39          HD2       ARG  39   0.328  -4.065   5.068
  306   2HD   ARG  39          HD1       ARG  39  -0.956  -5.191   5.507
  307    HE   ARG  39           HE       ARG  39   0.196  -4.086   7.835
  308   1HH1  ARG  39          HH11      ARG  39  -1.875  -3.241   5.162
  309   2HH1  ARG  39          HH12      ARG  39  -2.742  -2.032   6.048
  310   1HH2  ARG  39          HH21      ARG  39  -0.941  -2.495   9.008
  311   2HH2  ARG  39          HH22      ARG  39  -2.210  -1.607   8.234
  312    H    SER  40           HN       SER  40   4.268  -6.919   3.933
  313    HA   SER  40           HA       SER  40   3.954  -9.156   2.167
  314   1HB   SER  40          HB2       SER  40   4.388  -7.361   0.528
  315   2HB   SER  40          HB1       SER  40   5.860  -6.927   1.396
  316    HG   SER  40           HG       SER  40   5.328  -9.425   0.154
  317    H    HIS  41           HN       HIS  41   6.327  -7.004   3.706
  318    HA   HIS  41           HA       HIS  41   7.405  -9.246   5.227
  319   1HB   HIS  41          HB2       HIS  41   9.069  -7.514   3.392
  320   2HB   HIS  41          HB1       HIS  41   9.753  -8.499   4.678
  321    HD1  HIS  41           HD1      HIS  41   7.470  -9.087   1.679
  322    HD2  HIS  41           HD2      HIS  41  10.534 -10.925   3.799
  323    HE1  HIS  41           HE1      HIS  41   7.935 -11.237   0.461
  324    HE2  HIS  41           HE2      HIS  41   9.741 -12.366   1.804
  325    H    SER  42           HN       SER  42   9.713  -7.721   6.115
  326    HA   SER  42           HA       SER  42   8.772  -5.226   7.160
  327   1HB   SER  42          HB2       SER  42   8.868  -5.846   9.532
  328   2HB   SER  42          HB1       SER  42   7.590  -6.715   8.682
  329    HG   SER  42           HG       SER  42   8.613  -8.265   9.813
  330    H    THR  43           HN       THR  43  10.467  -4.026   6.977
  331    HA   THR  43           HA       THR  43  12.914  -4.584   8.372
  332    HB   THR  43           HB       THR  43  13.138  -4.247   5.382
  333    HG1  THR  43           HG1      THR  43  13.887  -6.521   5.564
  334   1HG2  THR  43          HG21      THR  43  15.161  -4.959   7.508
  335   2HG2  THR  43          HG22      THR  43  15.044  -3.420   6.655
  336   3HG2  THR  43          HG23      THR  43  15.480  -4.884   5.775
  337    H    GLN  44           HN       GLN  44  12.383  -2.691   5.468
  338    HA   GLN  44           HA       GLN  44  12.095  -0.467   5.074
  339   1HB   GLN  44          HB2       GLN  44  12.024  -0.199   8.082
  340   2HB   GLN  44          HB1       GLN  44  11.725   1.111   6.948
  341   1HG   GLN  44          HG2       GLN  44   9.819  -0.184   6.034
  342   2HG   GLN  44          HG1       GLN  44  10.085  -1.387   7.296
  343   1HE2  GLN  44          HE21      GLN  44   7.771   0.324   6.760
  344   2HE2  GLN  44          HE22      GLN  44   7.493   1.211   8.216
  345    H    THR  45           HN       THR  45  14.640  -1.790   5.221
  346    HA   THR  45           HA       THR  45  16.300   0.571   5.405
  347    HB   THR  45           HB       THR  45  18.046  -0.619   6.777
  348    HG1  THR  45           HG1      THR  45  16.979  -2.729   6.528
  349   1HG2  THR  45          HG21      THR  45  16.633   1.153   7.715
  350   2HG2  THR  45          HG22      THR  45  17.000  -0.085   8.919
  351   3HG2  THR  45          HG23      THR  45  15.415  -0.050   8.144
  352    H    LEU  46           HN       LEU  46  17.920   0.569   3.985
  353    HA   LEU  46           HA       LEU  46  18.357  -1.881   2.406
  354   1HB   LEU  46          HB2       LEU  46  18.312   1.012   1.707
  355   2HB   LEU  46          HB1       LEU  46  19.457   0.000   0.849
  356    HG   LEU  46           HG       LEU  46  17.635  -1.420   0.048
  357   1HD1  LEU  46          HD11      LEU  46  15.295  -0.731   0.419
  358   2HD1  LEU  46          HD12      LEU  46  15.860   0.469   1.583
  359   3HD1  LEU  46          HD13      LEU  46  16.104  -1.250   1.896
  360   1HD2  LEU  46          HD21      LEU  46  18.301   0.540  -1.273
  361   2HD2  LEU  46          HD22      LEU  46  17.080   1.503  -0.441
  362   3HD2  LEU  46          HD23      LEU  46  16.591   0.157  -1.472
  363    H    THR  47           HN       THR  47  20.257  -2.867   2.680
  364    HA   THR  47           HA       THR  47  22.544  -1.260   3.628
  365    HB   THR  47           HB       THR  47  22.063  -4.148   4.376
  366    HG1  THR  47           HG1      THR  47  20.461  -2.920   5.385
  367   1HG2  THR  47          HG21      THR  47  23.954  -2.042   5.431
  368   2HG2  THR  47          HG22      THR  47  24.388  -3.457   4.474
  369   3HG2  THR  47          HG23      THR  47  23.756  -3.658   6.108
  370    H    CYS  48           HN       CYS  48  24.571  -1.764   2.732
  371    HA   CYS  48           HA       CYS  48  24.426  -3.047   0.181
  372   1HB   CYS  48          HB2       CYS  48  25.897  -1.094   0.528
  373   2HB   CYS  48          HB1       CYS  48  26.826  -2.001   1.706
  374    H    ASN  49           HN       ASN  49  24.460  -5.157  -0.055
  375    HA   ASN  49           HA       ASN  49  25.637  -6.839   2.016
  376   1HB   ASN  49          HB2       ASN  49  24.543  -8.695   0.751
  377   2HB   ASN  49          HB1       ASN  49  23.412  -7.454   1.287
  378   1HD2  ASN  49          HD21      ASN  49  22.400  -6.166  -0.206
  379   2HD2  ASN  49          HD22      ASN  49  22.453  -6.478  -1.905
  380    H    SER  50           HN       SER  50  26.396  -9.062   0.627
  381    HA   SER  50           HA       SER  50  28.674  -8.045  -0.928
  382   1HB   SER  50          HB2       SER  50  29.297  -9.244   1.124
  383   2HB   SER  50          HB1       SER  50  28.392 -10.659   0.584
  384    HG   SER  50           HG       SER  50  30.646 -10.808   0.136
  385    H    ASP  51           HN       ASP  51  26.580  -8.100  -2.476
  386    HA   ASP  51           HA       ASP  51  26.821 -10.542  -4.132
  387   1HB   ASP  51          HB2       ASP  51  24.350  -8.944  -3.459
  388   2HB   ASP  51          HB1       ASP  51  24.429 -10.049  -4.826
  389    H    GLY  52           HN       GLY  52  26.059  -7.081  -3.989
  390   1HA   GLY  52          HA2       GLY  52  27.632  -5.882  -5.676
  391   2HA   GLY  52          HA1       GLY  52  26.726  -6.845  -6.836
  392    H    GLU  53           HN       GLU  53  24.709  -6.217  -4.364
  393    HA   GLU  53           HA       GLU  53  23.891  -3.536  -5.162
  394   1HB   GLU  53          HB2       GLU  53  21.566  -4.323  -5.664
  395   2HB   GLU  53          HB1       GLU  53  22.778  -4.805  -6.841
  396   1HG   GLU  53          HG2       GLU  53  22.114  -6.666  -4.619
  397   2HG   GLU  53          HG1       GLU  53  20.991  -6.502  -5.965
  398    H    TRP  54           HN       TRP  54  21.290  -3.651  -4.200
  399    HA   TRP  54           HA       TRP  54  21.764  -3.682  -1.329
  400   1HB   TRP  54          HB2       TRP  54  19.541  -2.494  -2.998
  401   2HB   TRP  54          HB1       TRP  54  19.720  -2.308  -1.260
  402    HD1  TRP  54           HD1      TRP  54  20.909  -0.870  -4.525
  403    HE1  TRP  54           HE1      TRP  54  22.554   1.060  -4.066
  404    HE3  TRP  54           HE3      TRP  54  21.586  -1.574   0.475
  405    HZ2  TRP  54           HZ2      TRP  54  23.953   2.142  -1.857
  406    HZ3  TRP  54           HZ3      TRP  54  23.087  -0.054   1.699
  407    HH2  TRP  54           HH2      TRP  54  24.244   1.763   0.554
  408    H    VAL  55           HN       VAL  55  21.057  -5.234  -0.110
  409    HA   VAL  55           HA       VAL  55  18.973  -7.098  -1.068
  410    HB   VAL  55           HB       VAL  55  21.417  -7.392   0.586
  411   1HG1  VAL  55          HG11      VAL  55  20.513  -9.279   1.861
  412   2HG1  VAL  55          HG12      VAL  55  18.901  -8.908   1.251
  413   3HG1  VAL  55          HG13      VAL  55  19.738  -7.755   2.290
  414   1HG2  VAL  55          HG21      VAL  55  21.213  -8.381  -1.640
  415   2HG2  VAL  55          HG22      VAL  55  19.818  -9.315  -1.103
  416   3HG2  VAL  55          HG23      VAL  55  21.408  -9.627  -0.408
  417    H    TYR  56           HN       TYR  56  17.322  -7.748   0.400
  418    HA   TYR  56           HA       TYR  56  16.930  -6.931   2.930
  419   1HB   TYR  56          HB2       TYR  56  15.432  -4.899   2.708
  420   2HB   TYR  56          HB1       TYR  56  17.136  -4.608   2.372
  421    HD1  TYR  56           HD1      TYR  56  13.853  -5.189   0.737
  422    HD2  TYR  56           HD2      TYR  56  17.819  -3.718   0.296
  423    HE1  TYR  56           HE1      TYR  56  13.250  -4.244  -1.450
  424    HE2  TYR  56           HE2      TYR  56  17.227  -2.766  -1.892
  425    HH   TYR  56           HH       TYR  56  15.550  -3.134  -3.668
  426    H    ASN  57           HN       ASN  57  14.494  -6.737   3.562
  427    HA   ASN  57           HA       ASN  57  13.095  -8.810   2.095
  428   1HB   ASN  57          HB2       ASN  57  12.352  -7.306   4.616
  429   2HB   ASN  57          HB1       ASN  57  11.437  -8.650   3.940
  430   1HD2  ASN  57          HD21      ASN  57  12.745  -8.391   6.529
  431   2HD2  ASN  57          HD22      ASN  57  13.860  -9.706   6.635
  432    H    THR  58           HN       THR  58  10.639  -8.450   1.795
  433    HA   THR  58           HA       THR  58  10.360  -6.054   0.190
  434    HB   THR  58           HB       THR  58   8.215  -8.127   0.650
  435    HG1  THR  58           HG1      THR  58  10.548  -8.236  -0.923
  436   1HG2  THR  58          HG21      THR  58   7.518  -7.443  -1.617
  437   2HG2  THR  58          HG22      THR  58   8.812  -6.245  -1.638
  438   3HG2  THR  58          HG23      THR  58   7.491  -6.096  -0.479
  439    H    PHE  59           HN       PHE  59  10.632  -5.475   2.894
  440    HA   PHE  59           HA       PHE  59   8.439  -5.161   4.486
  441   1HB   PHE  59          HB2       PHE  59   9.502  -3.028   5.279
  442   2HB   PHE  59          HB1       PHE  59  10.610  -4.396   5.219
  443    HD1  PHE  59           HD1      PHE  59  12.351  -4.516   3.530
  444    HD2  PHE  59           HD2      PHE  59   9.770  -1.146   3.804
  445    HE1  PHE  59           HE1      PHE  59  13.888  -3.230   2.108
  446    HE2  PHE  59           HE2      PHE  59  11.304   0.148   2.380
  447    HZ   PHE  59           HZ       PHE  59  13.363  -0.898   1.528
  448    H    CYS  60           HN       CYS  60   6.525  -4.114   4.333
  449    HA   CYS  60           HA       CYS  60   4.853  -2.794   3.499
  450   1HB   CYS  60          HB2       CYS  60   6.973  -1.006   2.314
  451   2HB   CYS  60          HB1       CYS  60   5.389  -0.559   2.947
  452    H    ILE  61           HN       ILE  61   3.771  -2.240   1.417
  453    HA   ILE  61           HA       ILE  61   5.057  -2.675  -1.035
  454    HB   ILE  61           HB       ILE  61   5.238  -4.962  -0.303
  455   1HG1  ILE  61          HG12      ILE  61   3.120  -4.712  -2.445
  456   2HG1  ILE  61          HG11      ILE  61   4.853  -4.527  -2.704
  457   1HG2  ILE  61          HG21      ILE  61   3.389  -5.012   1.262
  458   2HG2  ILE  61          HG22      ILE  61   3.275  -6.349   0.118
  459   3HG2  ILE  61          HG23      ILE  61   2.240  -4.934  -0.073
  460   1HD1  ILE  61          HD11      ILE  61   5.223  -6.831  -2.080
  461   2HD1  ILE  61          HD12      ILE  61   4.033  -6.733  -3.379
  462   3HD1  ILE  61          HD13      ILE  61   3.508  -7.031  -1.721
  463    H    TYR  62           HN       TYR  62   3.744  -0.722  -1.151
  464    HA   TYR  62           HA       TYR  62   1.014  -0.479  -1.115
  465   1HB   TYR  62          HB2       TYR  62   3.182   0.993  -2.150
  466   2HB   TYR  62          HB1       TYR  62   1.996   0.855  -3.451
  467    HD1  TYR  62           HD1      TYR  62  -0.545   1.132  -2.395
  468    HD2  TYR  62           HD2      TYR  62   3.030   2.919  -0.941
  469    HE1  TYR  62           HE1      TYR  62  -1.873   2.899  -1.327
  470    HE2  TYR  62           HE2      TYR  62   1.718   4.697   0.135
  471    HH   TYR  62           HH       TYR  62  -1.103   4.622   0.975
  472    H    LYS  63           HN       LYS  63  -0.576  -1.426  -1.949
  473    HA   LYS  63           HA       LYS  63  -0.775  -2.209  -4.672
  474   1HB   LYS  63          HB2       LYS  63  -1.071  -4.567  -4.421
  475   2HB   LYS  63          HB1       LYS  63   0.468  -4.175  -3.666
  476   1HG   LYS  63          HG2       LYS  63  -0.637  -4.214  -1.468
  477   2HG   LYS  63          HG1       LYS  63  -2.143  -4.684  -2.254
  478   1HD   LYS  63          HD2       LYS  63  -1.355  -6.739  -1.630
  479   2HD   LYS  63          HD1       LYS  63  -0.636  -6.605  -3.231
  480   1HE   LYS  63          HE2       LYS  63   1.446  -5.834  -2.265
  481   2HE   LYS  63          HE1       LYS  63   0.740  -5.925  -0.651
  482   1HZ   LYS  63          HZ1       LYS  63   1.155  -8.219  -2.490
  483   2HZ   LYS  63          HZ2       LYS  63   0.468  -8.309  -0.948
  484   3HZ   LYS  63          HZ3       LYS  63   2.089  -7.865  -1.125
  485    H    ARG  64           HN       ARG  64  -2.829  -1.496  -5.090
  486    HA   ARG  64           HA       ARG  64  -4.689  -1.373  -2.842
  487   1HB   ARG  64          HB2       ARG  64  -5.994   0.086  -4.555
  488   2HB   ARG  64          HB1       ARG  64  -4.578   0.750  -3.753
  489   1HG   ARG  64          HG2       ARG  64  -4.272  -0.591  -6.398
  490   2HG   ARG  64          HG1       ARG  64  -4.905   1.054  -6.314
  491   1HD   ARG  64          HD2       ARG  64  -2.295   0.135  -5.112
  492   2HD   ARG  64          HD1       ARG  64  -2.459   0.982  -6.651
  493    HE   ARG  64           HE       ARG  64  -3.631   2.374  -4.423
  494   1HH1  ARG  64          HH11      ARG  64  -0.722   1.821  -6.256
  495   2HH1  ARG  64          HH12      ARG  64   0.012   3.318  -5.789
  496   1HH2  ARG  64          HH21      ARG  64  -2.673   4.349  -3.801
  497   2HH2  ARG  64          HH22      ARG  64  -1.096   4.755  -4.391
  498    H    CYS  65           HN       CYS  65  -7.072  -1.160  -4.286
  499    HA   CYS  65           HA       CYS  65  -7.347  -3.807  -5.538
  500   1HB   CYS  65          HB2       CYS  65  -9.544  -2.683  -3.839
  501   2HB   CYS  65          HB1       CYS  65  -9.208  -4.360  -4.253
  502    H    ARG  66           HN       ARG  66  -9.554  -3.937  -6.687
  503    HA   ARG  66           HA       ARG  66  -9.716  -1.650  -8.411
  504   1HB   ARG  66          HB2       ARG  66  -9.931  -3.842  -9.397
  505   2HB   ARG  66          HB1       ARG  66 -11.292  -4.230  -8.354
  506   1HG   ARG  66          HG2       ARG  66 -12.010  -3.698 -10.622
  507   2HG   ARG  66          HG1       ARG  66 -12.636  -2.528  -9.456
  508   1HD   ARG  66          HD2       ARG  66 -11.870  -1.297 -11.341
  509   2HD   ARG  66          HD1       ARG  66 -10.703  -1.052 -10.042
  510    HE   ARG  66           HE       ARG  66  -9.820  -3.201 -11.577
  511   1HH1  ARG  66          HH11      ARG  66 -10.345   0.227 -11.920
  512   2HH1  ARG  66          HH12      ARG  66  -9.098   0.430 -13.104
  513   1HH2  ARG  66          HH21      ARG  66  -8.174  -2.942 -13.135
  514   2HH2  ARG  66          HH22      ARG  66  -7.864  -1.371 -13.795
  515    H    HIS  67           HN       HIS  67 -11.421  -0.261  -8.674
  516    HA   HIS  67           HA       HIS  67 -12.857   0.442  -6.344
  517   1HB   HIS  67          HB2       HIS  67 -12.164   1.980  -8.255
  518   2HB   HIS  67          HB1       HIS  67 -13.521   1.317  -9.159
  519    HD1  HIS  67           HD1      HIS  67 -15.696   2.478  -8.855
  520    HD2  HIS  67           HD2      HIS  67 -13.040   3.274  -5.761
  521    HE1  HIS  67           HE1      HIS  67 -16.833   4.205  -7.422
  522    HE2  HIS  67           HE2      HIS  67 -15.178   4.723  -5.593
  523    HA   PRO  68           HA       PRO  68 -16.245  -2.423  -6.774
  524   1HB   PRO  68          HB2       PRO  68 -17.811  -0.682  -5.056
  525   2HB   PRO  68          HB1       PRO  68 -17.191  -2.299  -4.727
  526   1HG   PRO  68          HG2       PRO  68 -16.244  -0.063  -3.501
  527   2HG   PRO  68          HG1       PRO  68 -15.267  -1.516  -3.780
  528   1HD   PRO  68          HD2       PRO  68 -15.271   1.078  -5.252
  529   2HD   PRO  68          HD1       PRO  68 -13.918  -0.010  -4.878
  530    H    GLY  69           HN       GLY  69 -16.455   0.950  -7.512
  531   1HA   GLY  69          HA2       GLY  69 -17.569   1.745  -9.445
  532   2HA   GLY  69          HA1       GLY  69 -18.602   0.327  -9.407
  533    H    GLU  70           HN       GLU  70 -19.360   3.033  -9.697
  534    HA   GLU  70           HA       GLU  70 -20.342   4.482  -7.685
  535   1HB   GLU  70          HB2       GLU  70 -20.720   4.988 -10.060
  536   2HB   GLU  70          HB1       GLU  70 -21.939   3.722 -10.133
  537   1HG   GLU  70          HG2       GLU  70 -23.310   4.935  -8.528
  538   2HG   GLU  70          HG1       GLU  70 -22.082   6.195  -8.422
  539    H    LEU  71           HN       LEU  71 -21.909   4.556  -6.250
  540    HA   LEU  71           HA       LEU  71 -23.399   2.085  -5.700
  541   1HB   LEU  71          HB2       LEU  71 -21.976   3.510  -3.979
  542   2HB   LEU  71          HB1       LEU  71 -23.429   4.485  -3.906
  543    HG   LEU  71           HG       LEU  71 -23.262   1.542  -3.252
  544   1HD1  LEU  71          HD11      LEU  71 -22.131   2.932  -1.601
  545   2HD1  LEU  71          HD12      LEU  71 -23.623   2.259  -0.944
  546   3HD1  LEU  71          HD13      LEU  71 -23.569   3.945  -1.458
  547   1HD2  LEU  71          HD21      LEU  71 -25.452   1.985  -4.063
  548   2HD2  LEU  71          HD22      LEU  71 -25.550   3.495  -3.158
  549   3HD2  LEU  71          HD23      LEU  71 -25.554   1.951  -2.301
  550    H    ARG  72           HN       ARG  72 -25.267   2.120  -6.955
  551    HA   ARG  72           HA       ARG  72 -26.631   4.532  -7.577
  552   1HB   ARG  72          HB2       ARG  72 -27.011   2.588  -9.004
  553   2HB   ARG  72          HB1       ARG  72 -27.579   1.645  -7.632
  554   1HG   ARG  72          HG2       ARG  72 -29.522   3.127  -7.432
  555   2HG   ARG  72          HG1       ARG  72 -28.965   4.029  -8.845
  556   1HD   ARG  72          HD2       ARG  72 -29.712   1.107  -8.783
  557   2HD   ARG  72          HD1       ARG  72 -30.694   2.412  -9.446
  558    HE   ARG  72           HE       ARG  72 -28.173   2.419 -10.693
  559   1HH1  ARG  72          HH11      ARG  72 -31.102   0.539 -10.542
  560   2HH1  ARG  72          HH12      ARG  72 -30.934  -0.091 -12.147
  561   1HH2  ARG  72          HH21      ARG  72 -27.942   1.595 -12.808
  562   2HH2  ARG  72          HH22      ARG  72 -29.138   0.509 -13.435
  563    H    ASN  73           HN       ASN  73 -27.962   5.715  -6.528
  564    HA   ASN  73           HA       ASN  73 -29.100   6.596  -4.766
  565   1HB   ASN  73          HB2       ASN  73 -29.801   3.714  -4.105
  566   2HB   ASN  73          HB1       ASN  73 -30.654   5.152  -3.557
  567   1HD2  ASN  73          HD21      ASN  73 -31.613   2.843  -5.063
  568   2HD2  ASN  73          HD22      ASN  73 -32.291   3.477  -6.521
  569    H    GLY  74           HN       GLY  74 -26.487   6.485  -4.471
  570   1HA   GLY  74          HA2       GLY  74 -26.067   6.393  -1.726
  571   2HA   GLY  74          HA1       GLY  74 -25.452   4.895  -2.402
  572    H    GLN  75           HN       GLN  75 -23.588   6.155  -1.228
  573    HA   GLN  75           HA       GLN  75 -21.941   7.253  -3.356
  574   1HB   GLN  75          HB2       GLN  75 -22.435   8.770  -0.787
  575   2HB   GLN  75          HB1       GLN  75 -21.219   9.186  -1.986
  576   1HG   GLN  75          HG2       GLN  75 -22.905   9.679  -3.615
  577   2HG   GLN  75          HG1       GLN  75 -24.173   9.083  -2.544
  578   1HE2  GLN  75          HE21      GLN  75 -22.947  10.287  -0.180
  579   2HE2  GLN  75          HE22      GLN  75 -23.274  11.980  -0.284
  580    H    VAL  76           HN       VAL  76 -20.949   5.139  -2.988
  581    HA   VAL  76           HA       VAL  76 -19.897   4.172  -0.687
  582    HB   VAL  76           HB       VAL  76 -19.456   2.677  -2.305
  583   1HG1  VAL  76          HG11      VAL  76 -18.808   3.182  -4.581
  584   2HG1  VAL  76          HG12      VAL  76 -18.612   4.886  -4.165
  585   3HG1  VAL  76          HG13      VAL  76 -20.208   4.139  -4.097
  586   1HG2  VAL  76          HG21      VAL  76 -17.300   3.054  -1.202
  587   2HG2  VAL  76          HG22      VAL  76 -16.872   4.222  -2.453
  588   3HG2  VAL  76          HG23      VAL  76 -17.104   2.524  -2.873
  589    H    GLU  77           HN       GLU  77 -18.511   4.975   0.807
  590    HA   GLU  77           HA       GLU  77 -17.154   7.431   0.408
  591   1HB   GLU  77          HB2       GLU  77 -17.896   6.948   2.609
  592   2HB   GLU  77          HB1       GLU  77 -17.093   5.384   2.617
  593   1HG   GLU  77          HG2       GLU  77 -14.923   6.475   2.646
  594   2HG   GLU  77          HG1       GLU  77 -15.701   8.055   2.591
  595    H    ILE  78           HN       ILE  78 -15.653   7.314  -1.224
  596    HA   ILE  78           HA       ILE  78 -13.423   5.430  -0.833
  597    HB   ILE  78           HB       ILE  78 -14.433   6.799  -3.318
  598   1HG1  ILE  78          HG12      ILE  78 -15.399   4.605  -2.580
  599   2HG1  ILE  78          HG11      ILE  78 -14.653   4.567  -4.174
  600   1HG2  ILE  78          HG21      ILE  78 -11.810   5.344  -2.992
  601   2HG2  ILE  78          HG22      ILE  78 -12.006   7.076  -3.257
  602   3HG2  ILE  78          HG23      ILE  78 -12.485   5.934  -4.512
  603   1HD1  ILE  78          HD11      ILE  78 -14.113   2.571  -2.923
  604   2HD1  ILE  78          HD12      ILE  78 -13.438   3.550  -1.620
  605   3HD1  ILE  78          HD13      ILE  78 -12.660   3.532  -3.202
  606    H    LYS  79           HN       LYS  79 -11.397   6.187  -0.522
  607    HA   LYS  79           HA       LYS  79 -10.676   8.899  -1.090
  608   1HB   LYS  79          HB2       LYS  79 -10.202   9.559   1.229
  609   2HB   LYS  79          HB1       LYS  79 -11.916   9.273   0.975
  610   1HG   LYS  79          HG2       LYS  79  -9.991   7.360   2.283
  611   2HG   LYS  79          HG1       LYS  79 -11.140   8.404   3.121
  612   1HD   LYS  79          HD2       LYS  79 -12.942   7.228   1.733
  613   2HD   LYS  79          HD1       LYS  79 -11.695   6.030   1.364
  614   1HE   LYS  79          HE2       LYS  79 -11.368   5.679   3.781
  615   2HE   LYS  79          HE1       LYS  79 -12.682   6.806   4.106
  616   1HZ   LYS  79          HZ1       LYS  79 -14.142   5.313   2.802
  617   2HZ   LYS  79          HZ2       LYS  79 -13.532   4.599   4.207
  618   3HZ   LYS  79          HZ3       LYS  79 -12.873   4.199   2.702
  619    H    THR  80           HN       THR  80  -9.827   6.115   0.960
  620    HA   THR  80           HA       THR  80  -7.049   6.579   0.802
  621    HB   THR  80           HB       THR  80  -6.795   4.463   1.909
  622    HG1  THR  80           HG1      THR  80  -9.306   3.589   2.090
  623   1HG2  THR  80          HG21      THR  80  -9.164   6.108   2.759
  624   2HG2  THR  80          HG22      THR  80  -7.529   6.098   3.424
  625   3HG2  THR  80          HG23      THR  80  -8.607   4.733   3.715
  626    H    ASP  81           HN       ASP  81  -8.953   5.820  -1.703
  627    HA   ASP  81           HA       ASP  81  -8.545   4.906  -3.785
  628   1HB   ASP  81          HB2       ASP  81  -5.731   4.912  -2.721
  629   2HB   ASP  81          HB1       ASP  81  -6.158   4.582  -4.398
  630    H    LEU  82           HN       LEU  82  -8.542   3.240  -1.090
  631    HA   LEU  82           HA       LEU  82  -8.738   1.027  -0.554
  632   1HB   LEU  82          HB2       LEU  82  -8.389   0.612  -3.522
  633   2HB   LEU  82          HB1       LEU  82  -8.892  -0.625  -2.392
  634    HG   LEU  82           HG       LEU  82 -10.869   0.001  -3.445
  635   1HD1  LEU  82          HD11      LEU  82 -10.760   1.764  -1.011
  636   2HD1  LEU  82          HD12      LEU  82 -11.098   0.033  -1.013
  637   3HD1  LEU  82          HD13      LEU  82 -12.212   1.149  -1.803
  638   1HD2  LEU  82          HD21      LEU  82  -9.981   1.936  -4.641
  639   2HD2  LEU  82          HD22      LEU  82 -10.073   2.892  -3.161
  640   3HD2  LEU  82          HD23      LEU  82 -11.548   2.284  -3.910
  641    H    SER  83           HN       SER  83  -6.363   2.077   0.006
  642    HA   SER  83           HA       SER  83  -4.208   0.730  -1.363
  643   1HB   SER  83          HB2       SER  83  -4.208   2.545   1.055
  644   2HB   SER  83          HB1       SER  83  -2.765   1.954   0.232
  645    HG   SER  83           HG       SER  83  -3.130   3.871  -0.708
  646    H    PHE  84           HN       PHE  84  -6.231  -0.839   0.284
  647    HA   PHE  84           HA       PHE  84  -6.230  -2.693   1.596
  648   1HB   PHE  84          HB2       PHE  84  -4.383  -3.410   0.146
  649   2HB   PHE  84          HB1       PHE  84  -3.233  -2.584   1.189
  650    HD1  PHE  84           HD1      PHE  84  -5.041  -5.603   0.582
  651    HD2  PHE  84           HD2      PHE  84  -2.990  -3.392   3.583
  652    HE1  PHE  84           HE1      PHE  84  -4.806  -7.650   1.925
  653    HE2  PHE  84           HE2      PHE  84  -2.753  -5.436   4.933
  654    HZ   PHE  84           HZ       PHE  84  -3.661  -7.569   4.103
  655    H    GLY  85           HN       GLY  85  -6.370  -3.091   3.743
  656   1HA   GLY  85          HA2       GLY  85  -5.808  -2.971   6.007
  657   2HA   GLY  85          HA1       GLY  85  -4.518  -1.847   5.604
  658    H    SER  86           HN       SER  86  -8.036  -1.843   5.096
  659    HA   SER  86           HA       SER  86  -8.596   0.194   6.956
  660   1HB   SER  86          HB2       SER  86  -9.007   2.072   5.425
  661   2HB   SER  86          HB1       SER  86  -7.309   1.591   5.387
  662    HG   SER  86           HG       SER  86  -9.185   0.568   3.542
  663    H    GLN  87           HN       GLN  87 -10.419   1.327   4.727
  664    HA   GLN  87           HA       GLN  87 -12.177  -0.616   3.839
  665   1HB   GLN  87          HB2       GLN  87 -14.059  -0.277   5.494
  666   2HB   GLN  87          HB1       GLN  87 -12.707  -1.244   6.063
  667   1HG   GLN  87          HG2       GLN  87 -13.277   0.161   7.846
  668   2HG   GLN  87          HG1       GLN  87 -11.820   0.857   7.140
  669   1HE2  GLN  87          HE21      GLN  87 -14.986   1.122   5.694
  670   2HE2  GLN  87          HE22      GLN  87 -15.175   2.819   5.951
  671    H    ILE  88           HN       ILE  88 -14.174   0.231   3.013
  672    HA   ILE  88           HA       ILE  88 -14.199   3.166   2.799
  673    HB   ILE  88           HB       ILE  88 -15.126   2.812   0.467
  674   1HG1  ILE  88          HG12      ILE  88 -13.832   0.093   0.759
  675   2HG1  ILE  88          HG11      ILE  88 -15.572   0.355   0.826
  676   1HG2  ILE  88          HG21      ILE  88 -12.888   3.656   0.880
  677   2HG2  ILE  88          HG22      ILE  88 -12.890   2.579  -0.517
  678   3HG2  ILE  88          HG23      ILE  88 -12.276   2.009   1.034
  679   1HD1  ILE  88          HD11      ILE  88 -13.802   0.996  -1.519
  680   2HD1  ILE  88          HD12      ILE  88 -15.553   1.196  -1.448
  681   3HD1  ILE  88          HD13      ILE  88 -14.845  -0.417  -1.367
  682    H    GLU  89           HN       GLU  89 -15.837   3.561   4.198
  683    HA   GLU  89           HA       GLU  89 -18.142   2.056   4.563
  684   1HB   GLU  89          HB2       GLU  89 -17.220   4.088   5.898
  685   2HB   GLU  89          HB1       GLU  89 -18.164   5.054   4.773
  686   1HG   GLU  89          HG2       GLU  89 -20.192   3.896   5.458
  687   2HG   GLU  89          HG1       GLU  89 -19.253   2.900   6.569
  688    H    PHE  90           HN       PHE  90 -20.415   3.052   4.066
  689    HA   PHE  90           HA       PHE  90 -20.504   4.078   1.321
  690   1HB   PHE  90          HB2       PHE  90 -22.128   1.726   2.323
  691   2HB   PHE  90          HB1       PHE  90 -22.271   2.471   0.734
  692    HD1  PHE  90           HD1      PHE  90 -20.253   0.302   2.874
  693    HD2  PHE  90           HD2      PHE  90 -20.567   2.123  -0.970
  694    HE1  PHE  90           HE1      PHE  90 -18.522  -1.216   2.010
  695    HE2  PHE  90           HE2      PHE  90 -18.836   0.615  -1.832
  696    HZ   PHE  90           HZ       PHE  90 -17.810  -1.062  -0.344
  697    H    SER  91           HN       SER  91 -23.120   4.372   0.871
  698    HA   SER  91           HA       SER  91 -24.540   5.278   3.182
  699   1HB   SER  91          HB2       SER  91 -24.635   7.681   2.477
  700   2HB   SER  91          HB1       SER  91 -23.062   7.158   3.080
  701    HG   SER  91           HG       SER  91 -22.586   6.783   0.750
  702    H    CYS  92           HN       CYS  92 -26.508   4.655   2.730
  703    HA   CYS  92           HA       CYS  92 -27.466   4.702  -0.022
  704   1HB   CYS  92          HB2       CYS  92 -28.558   3.564   2.539
  705   2HB   CYS  92          HB1       CYS  92 -29.607   3.787   1.144
  706    H    SER  93           HN       SER  93 -28.464   6.393  -0.854
  707    HA   SER  93           HA       SER  93 -28.834   8.811   0.368
  708   1HB   SER  93          HB2       SER  93 -30.250   7.587  -1.990
  709   2HB   SER  93          HB1       SER  93 -30.536   9.253  -1.481
  710    HG   SER  93           HG       SER  93 -27.920   8.906  -1.581
  711    H    GLU  94           HN       GLU  94 -30.924  10.012   0.588
  712    HA   GLU  94           HA       GLU  94 -32.359   9.201   2.764
  713   1HB   GLU  94          HB2       GLU  94 -32.533  11.460   2.150
  714   2HB   GLU  94          HB1       GLU  94 -33.030  11.071   0.509
  715   1HG   GLU  94          HG2       GLU  94 -35.186  10.346   1.289
  716   2HG   GLU  94          HG1       GLU  94 -34.698  10.594   2.964
  717    H    GLY  95           HN       GLY  95 -34.445   8.377   3.099
  718   1HA   GLY  95          HA2       GLY  95 -36.293   7.058   2.691
  719   2HA   GLY  95          HA1       GLY  95 -35.997   7.261   0.971
  720    H    PHE  96           HN       PHE  96 -33.247   6.176   1.120
  721    HA   PHE  96           HA       PHE  96 -34.022   3.341   1.380
  722   1HB   PHE  96          HB2       PHE  96 -31.717   4.319  -0.298
  723   2HB   PHE  96          HB1       PHE  96 -32.574   2.786  -0.397
  724    HD1  PHE  96           HD1      PHE  96 -34.865   2.721  -1.373
  725    HD2  PHE  96           HD2      PHE  96 -32.410   6.191  -1.540
  726    HE1  PHE  96           HE1      PHE  96 -36.255   3.611  -3.197
  727    HE2  PHE  96           HE2      PHE  96 -33.795   7.089  -3.363
  728    HZ   PHE  96           HZ       PHE  96 -35.723   5.800  -4.193
  729    H    PHE  97           HN       PHE  97 -32.972   2.187   2.868
  730    HA   PHE  97           HA       PHE  97 -30.717   3.453   4.220
  731   1HB   PHE  97          HB2       PHE  97 -31.084   1.914   6.030
  732   2HB   PHE  97          HB1       PHE  97 -32.630   2.610   5.567
  733    HD1  PHE  97           HD1      PHE  97 -30.979  -0.337   6.408
  734    HD2  PHE  97           HD2      PHE  97 -33.975   1.174   3.790
  735    HE1  PHE  97           HE1      PHE  97 -31.943  -2.592   6.216
  736    HE2  PHE  97           HE2      PHE  97 -34.943  -1.079   3.590
  737    HZ   PHE  97           HZ       PHE  97 -33.928  -2.965   4.806
  738    H    LEU  98           HN       LEU  98 -28.955   2.071   4.956
  739    HA   LEU  98           HA       LEU  98 -27.878   0.656   2.671
  740   1HB   LEU  98          HB2       LEU  98 -26.584   2.331   3.987
  741   2HB   LEU  98          HB1       LEU  98 -26.580   1.206   5.332
  742    HG   LEU  98           HG       LEU  98 -25.538   0.273   2.698
  743   1HD1  LEU  98          HD11      LEU  98 -23.320   1.156   3.250
  744   2HD1  LEU  98          HD12      LEU  98 -24.020   2.040   4.607
  745   3HD1  LEU  98          HD13      LEU  98 -24.495   2.438   2.956
  746   1HD2  LEU  98          HD21      LEU  98 -24.037  -1.004   4.160
  747   2HD2  LEU  98          HD22      LEU  98 -25.735  -1.299   4.534
  748   3HD2  LEU  98          HD23      LEU  98 -24.776  -0.241   5.568
  749    H    ILE  99           HN       ILE  99 -27.389  -1.448   2.543
  750    HA   ILE  99           HA       ILE  99 -27.479  -3.249   4.818
  751    HB   ILE  99           HB       ILE  99 -29.085  -4.320   2.634
  752   1HG1  ILE  99          HG12      ILE  99 -30.432  -2.196   4.270
  753   2HG1  ILE  99          HG11      ILE  99 -29.698  -1.821   2.717
  754   1HG2  ILE  99          HG21      ILE  99 -29.611  -4.026   5.586
  755   2HG2  ILE  99          HG22      ILE  99 -28.825  -5.398   4.803
  756   3HG2  ILE  99          HG23      ILE  99 -30.519  -5.043   4.467
  757   1HD1  ILE  99          HD11      ILE  99 -32.065  -2.202   2.462
  758   2HD1  ILE  99          HD12      ILE  99 -31.911  -3.798   3.197
  759   3HD1  ILE  99          HD13      ILE  99 -31.152  -3.466   1.640
  760    H    GLY 100           HN       GLY 100 -25.452  -3.800   4.398
  761   1HA   GLY 100          HA2       GLY 100 -24.696  -5.874   2.850
  762   2HA   GLY 100          HA1       GLY 100 -24.509  -4.503   1.767
  763    H    SER 101           HN       SER 101 -23.967  -4.683   5.229
  764    HA   SER 101           HA       SER 101 -22.165  -4.232   6.537
  765   1HB   SER 101          HB2       SER 101 -20.768  -5.238   4.062
  766   2HB   SER 101          HB1       SER 101 -19.885  -4.770   5.515
  767    HG   SER 101           HG       SER 101 -21.539  -6.313   6.530
  768    H    THR 102           HN       THR 102 -22.057  -2.113   7.005
  769    HA   THR 102           HA       THR 102 -21.836  -0.075   5.059
  770    HB   THR 102           HB       THR 102 -21.578   1.476   6.923
  771    HG1  THR 102           HG1      THR 102 -21.523  -0.749   8.683
  772   1HG2  THR 102          HG21      THR 102 -23.832   0.649   6.470
  773   2HG2  THR 102          HG22      THR 102 -23.606   0.929   8.197
  774   3HG2  THR 102          HG23      THR 102 -23.561  -0.713   7.556
  775    H    THR 103           HN       THR 103 -19.561  -2.164   6.298
  776    HA   THR 103           HA       THR 103 -17.397  -0.304   5.591
  777    HB   THR 103           HB       THR 103 -15.935  -1.759   6.974
  778    HG1  THR 103           HG1      THR 103 -17.069  -3.113   8.516
  779   1HG2  THR 103          HG21      THR 103 -16.730  -0.865   9.134
  780   2HG2  THR 103          HG22      THR 103 -18.259  -0.439   8.360
  781   3HG2  THR 103          HG23      THR 103 -16.763   0.340   7.845
  782    H    SER 104           HN       SER 104 -15.570  -1.198   4.456
  783    HA   SER 104           HA       SER 104 -15.861  -3.841   3.295
  784   1HB   SER 104          HB2       SER 104 -17.018  -2.071   1.802
  785   2HB   SER 104          HB1       SER 104 -15.389  -1.475   1.479
  786    HG   SER 104           HG       SER 104 -15.427  -4.130   1.188
  787    H    ARG 105           HN       ARG 105 -13.933  -4.709   3.753
  788    HA   ARG 105           HA       ARG 105 -11.588  -2.963   4.029
  789   1HB   ARG 105          HB2       ARG 105 -11.924  -5.865   4.805
  790   2HB   ARG 105          HB1       ARG 105 -10.555  -4.833   5.199
  791   1HG   ARG 105          HG2       ARG 105 -12.043  -3.394   6.522
  792   2HG   ARG 105          HG1       ARG 105 -13.387  -4.480   6.161
  793   1HD   ARG 105          HD2       ARG 105 -12.413  -4.918   8.372
  794   2HD   ARG 105          HD1       ARG 105 -12.260  -6.302   7.289
  795    HE   ARG 105           HE       ARG 105  -9.931  -4.752   7.108
  796   1HH1  ARG 105          HH11      ARG 105 -11.598  -6.805   9.377
  797   2HH1  ARG 105          HH12      ARG 105 -10.151  -7.304  10.184
  798   1HH2  ARG 105          HH21      ARG 105  -8.021  -5.405   8.165
  799   2HH2  ARG 105          HH22      ARG 105  -8.118  -6.508   9.497
  800    H    CYS 106           HN       CYS 106  -9.699  -3.255   2.925
  801    HA   CYS 106           HA       CYS 106  -9.921  -4.783   0.456
  802   1HB   CYS 106          HB2       CYS 106  -8.611  -2.315   1.233
  803   2HB   CYS 106          HB1       CYS 106  -7.471  -3.412   0.459
  804    H    GLU 107           HN       GLU 107  -9.131  -6.761   0.440
  805    HA   GLU 107           HA       GLU 107  -6.853  -7.383   2.196
  806   1HB   GLU 107          HB2       GLU 107  -9.085  -8.410   2.781
  807   2HB   GLU 107          HB1       GLU 107  -8.991  -9.305   1.269
  808   1HG   GLU 107          HG2       GLU 107  -8.302 -10.642   3.200
  809   2HG   GLU 107          HG1       GLU 107  -7.011 -10.453   2.014
  810    H    VAL 108           HN       VAL 108  -5.873  -9.591   1.325
  811    HA   VAL 108           HA       VAL 108  -5.582  -9.359  -1.599
  812    HB   VAL 108           HB       VAL 108  -3.373  -9.536   0.426
  813   1HG1  VAL 108          HG11      VAL 108  -1.800 -10.021  -1.317
  814   2HG1  VAL 108          HG12      VAL 108  -3.067  -9.958  -2.545
  815   3HG1  VAL 108          HG13      VAL 108  -3.051 -11.264  -1.356
  816   1HG2  VAL 108          HG21      VAL 108  -4.391  -7.358  -0.513
  817   2HG2  VAL 108          HG22      VAL 108  -3.523  -7.780  -1.992
  818   3HG2  VAL 108          HG23      VAL 108  -2.636  -7.532  -0.486
  819    H    GLN 109           HN       GLN 109  -5.825 -11.097  -2.693
  820    HA   GLN 109           HA       GLN 109  -5.462 -13.719  -1.397
  821   1HB   GLN 109          HB2       GLN 109  -7.446 -13.017  -3.570
  822   2HB   GLN 109          HB1       GLN 109  -7.279 -14.576  -2.775
  823   1HG   GLN 109          HG2       GLN 109  -7.982 -13.602  -0.667
  824   2HG   GLN 109          HG1       GLN 109  -8.096 -12.014  -1.425
  825   1HE2  GLN 109          HE21      GLN 109 -10.268 -11.791  -0.962
  826   2HE2  GLN 109          HE22      GLN 109 -11.491 -12.705  -1.771
  827    H    ASP 110           HN       ASP 110  -4.236 -15.198  -2.447
  828    HA   ASP 110           HA       ASP 110  -2.759 -16.073  -3.928
  829   1HB   ASP 110          HB2       ASP 110  -4.577 -14.580  -5.793
  830   2HB   ASP 110          HB1       ASP 110  -3.188 -15.483  -6.394
  831    H    ARG 111           HN       ARG 111  -3.165 -13.096  -5.748
  832    HA   ARG 111           HA       ARG 111  -0.939 -11.744  -4.657
  833   1HB   ARG 111          HB2       ARG 111   0.650 -11.996  -6.464
  834   2HB   ARG 111          HB1       ARG 111   0.238 -13.579  -5.822
  835   1HG   ARG 111          HG2       ARG 111  -1.274 -13.964  -7.684
  836   2HG   ARG 111          HG1       ARG 111  -0.900 -12.363  -8.327
  837   1HD   ARG 111          HD2       ARG 111   1.060 -14.624  -7.950
  838   2HD   ARG 111          HD1       ARG 111   0.363 -14.105  -9.484
  839    HE   ARG 111           HE       ARG 111   1.610 -11.905  -8.283
  840   1HH1  ARG 111          HH11      ARG 111   2.435 -14.967  -9.730
  841   2HH1  ARG 111          HH12      ARG 111   3.995 -14.437 -10.267
  842   1HH2  ARG 111          HH21      ARG 111   3.660 -11.202  -8.986
  843   2HH2  ARG 111          HH22      ARG 111   4.691 -12.298  -9.844
  844    H    GLY 112           HN       GLY 112  -3.747 -11.429  -5.764
  845   1HA   GLY 112          HA2       GLY 112  -3.130  -9.033  -7.363
  846   2HA   GLY 112          HA1       GLY 112  -4.384 -10.145  -7.886
  847    H    VAL 113           HN       VAL 113  -3.864  -9.479  -4.543
  848    HA   VAL 113           HA       VAL 113  -5.123  -8.537  -2.926
  849    HB   VAL 113           HB       VAL 113  -6.454  -6.523  -4.595
  850   1HG1  VAL 113          HG11      VAL 113  -6.361  -6.295  -2.197
  851   2HG1  VAL 113          HG12      VAL 113  -5.444  -4.991  -2.956
  852   3HG1  VAL 113          HG13      VAL 113  -4.599  -6.357  -2.232
  853   1HG2  VAL 113          HG21      VAL 113  -4.593  -6.639  -6.007
  854   2HG2  VAL 113          HG22      VAL 113  -3.475  -6.860  -4.658
  855   3HG2  VAL 113          HG23      VAL 113  -4.251  -5.294  -4.918
  856    H    GLY 114           HN       GLY 114  -7.162  -8.865  -1.994
  857   1HA   GLY 114          HA2       GLY 114  -9.229  -9.696  -3.904
  858   2HA   GLY 114          HA1       GLY 114  -8.947 -10.505  -2.368
  859    H    TRP 115           HN       TRP 115 -11.291  -8.970  -3.551
  860    HA   TRP 115           HA       TRP 115 -11.593  -6.873  -1.547
  861   1HB   TRP 115          HB2       TRP 115 -12.594  -7.229  -4.220
  862   2HB   TRP 115          HB1       TRP 115 -13.943  -7.057  -3.109
  863    HD1  TRP 115           HD1      TRP 115 -12.283  -4.950  -5.330
  864    HE1  TRP 115           HE1      TRP 115 -12.120  -2.512  -4.517
  865    HE3  TRP 115           HE3      TRP 115 -13.231  -5.664  -0.355
  866    HZ2  TRP 115           HZ2      TRP 115 -12.353  -1.088  -2.111
  867    HZ3  TRP 115           HZ3      TRP 115 -13.240  -3.707   1.132
  868    HH2  TRP 115           HH2      TRP 115 -12.809  -1.465   0.272
  869    H    SER 116           HN       SER 116 -13.220  -6.891  -0.001
  870    HA   SER 116           HA       SER 116 -14.157  -9.509   0.760
  871   1HB   SER 116          HB2       SER 116 -14.583  -6.802   2.047
  872   2HB   SER 116          HB1       SER 116 -15.047  -8.349   2.758
  873    HG   SER 116           HG       SER 116 -13.052  -7.785   3.570
  874    H    HIS 117           HN       HIS 117 -15.613  -6.452  -0.303
  875    HA   HIS 117           HA       HIS 117 -17.803  -7.727  -1.559
  876   1HB   HIS 117          HB2       HIS 117 -18.465  -8.024   0.838
  877   2HB   HIS 117          HB1       HIS 117 -18.497  -6.271   0.994
  878    HD1  HIS 117           HD1      HIS 117 -20.355  -9.116  -0.596
  879    HD2  HIS 117           HD2      HIS 117 -20.737  -5.015  -0.053
  880    HE1  HIS 117           HE1      HIS 117 -22.707  -8.562  -1.292
  881    HE2  HIS 117           HE2      HIS 117 -22.887  -6.062  -1.034
  882    HA   PRO 118           HA       PRO 118 -17.685  -3.682  -3.357
  883   1HB   PRO 118          HB2       PRO 118 -20.083  -4.299  -4.867
  884   2HB   PRO 118          HB1       PRO 118 -18.418  -4.195  -5.438
  885   1HG   PRO 118          HG2       PRO 118 -19.828  -6.531  -5.304
  886   2HG   PRO 118          HG1       PRO 118 -18.062  -6.441  -5.199
  887   1HD   PRO 118          HD2       PRO 118 -20.079  -6.738  -3.007
  888   2HD   PRO 118          HD1       PRO 118 -18.494  -7.520  -3.196
  889    H    LEU 119           HN       LEU 119 -20.142  -2.482  -4.360
  890    HA   LEU 119           HA       LEU 119 -20.943  -0.994  -2.152
  891   1HB   LEU 119          HB2       LEU 119 -22.569  -1.406  -4.655
  892   2HB   LEU 119          HB1       LEU 119 -22.572  -0.018  -3.594
  893    HG   LEU 119           HG       LEU 119 -21.387   0.700  -5.482
  894   1HD1  LEU 119          HD11      LEU 119 -19.308  -0.229  -3.515
  895   2HD1  LEU 119          HD12      LEU 119 -20.232   1.271  -3.418
  896   3HD1  LEU 119          HD13      LEU 119 -19.090   1.022  -4.741
  897   1HD2  LEU 119          HD21      LEU 119 -19.681  -0.532  -6.611
  898   2HD2  LEU 119          HD22      LEU 119 -21.129  -1.530  -6.483
  899   3HD2  LEU 119          HD23      LEU 119 -19.760  -1.818  -5.410
  900    HA   PRO 120           HA       PRO 120 -24.044  -3.551  -0.290
  901   1HB   PRO 120          HB2       PRO 120 -25.338  -1.283   0.911
  902   2HB   PRO 120          HB1       PRO 120 -24.205  -2.415   1.651
  903   1HG   PRO 120          HG2       PRO 120 -23.656   0.235   1.172
  904   2HG   PRO 120          HG1       PRO 120 -22.426  -1.030   1.333
  905   1HD   PRO 120          HD2       PRO 120 -23.554   0.211  -1.144
  906   2HD   PRO 120          HD1       PRO 120 -21.881  -0.263  -0.781
  907    H    GLN 121           HN       GLN 121 -26.575  -2.972   0.425
  908    HA   GLN 121           HA       GLN 121 -27.938  -2.616  -2.159
  909   1HB   GLN 121          HB2       GLN 121 -28.102  -4.830  -0.908
  910   2HB   GLN 121          HB1       GLN 121 -29.061  -3.972   0.288
  911   1HG   GLN 121          HG2       GLN 121 -30.683  -4.884  -1.051
  912   2HG   GLN 121          HG1       GLN 121 -30.508  -3.274  -1.748
  913   1HE2  GLN 121          HE21      GLN 121 -28.187  -5.850  -2.153
  914   2HE2  GLN 121          HE22      GLN 121 -28.458  -6.094  -3.842
  915    H    CYS 122           HN       CYS 122 -29.119  -0.817  -2.430
  916    HA   CYS 122           HA       CYS 122 -29.969   0.630  -0.018
  917   1HB   CYS 122          HB2       CYS 122 -29.519   1.554  -2.855
  918   2HB   CYS 122          HB1       CYS 122 -30.313   2.552  -1.641
  919    H    GLU 123           HN       GLU 123 -31.979   0.131   0.591
  920    HA   GLU 123           HA       GLU 123 -34.076  -0.062  -1.477
  921   1HB   GLU 123          HB2       GLU 123 -33.552  -2.299  -0.586
  922   2HB   GLU 123          HB1       GLU 123 -33.825  -1.711   1.047
  923   1HG   GLU 123          HG2       GLU 123 -36.162  -1.266   0.501
  924   2HG   GLU 123          HG1       GLU 123 -35.889  -1.856  -1.138
  925    H    ILE 124           HN       ILE 124 -36.037   0.786  -0.994
  926    HA   ILE 124           HA       ILE 124 -36.014   3.074   0.688
  927    HB   ILE 124           HB       ILE 124 -37.323   2.930  -1.407
  928   1HG1  ILE 124          HG12      ILE 124 -39.486   3.870  -0.416
  929   2HG1  ILE 124          HG11      ILE 124 -38.776   3.547   1.163
  930   1HG2  ILE 124          HG21      ILE 124 -38.085   0.626  -1.204
  931   2HG2  ILE 124          HG22      ILE 124 -39.447   1.723  -1.436
  932   3HG2  ILE 124          HG23      ILE 124 -39.100   1.072   0.168
  933   1HD1  ILE 124          HD11      ILE 124 -37.682   5.380  -0.954
  934   2HD1  ILE 124          HD12      ILE 124 -36.885   5.008   0.574
  935   3HD1  ILE 124          HD13      ILE 124 -38.435   5.847   0.570
  936    H    LEU 125           HN       LEU 125 -37.205   3.504   2.547
  937    HA   LEU 125           HA       LEU 125 -37.539   1.270   4.325
  938   1HB   LEU 125          HB2       LEU 125 -38.084   4.215   4.705
  939   2HB   LEU 125          HB1       LEU 125 -38.173   3.014   5.978
  940    HG   LEU 125           HG       LEU 125 -35.659   3.629   4.424
  941   1HD1  LEU 125          HD11      LEU 125 -36.363   5.593   5.680
  942   2HD1  LEU 125          HD12      LEU 125 -34.935   4.858   6.411
  943   3HD1  LEU 125          HD13      LEU 125 -36.523   4.615   7.140
  944   1HD2  LEU 125          HD21      LEU 125 -36.077   2.139   7.011
  945   2HD2  LEU 125          HD22      LEU 125 -34.543   2.394   6.176
  946   3HD2  LEU 125          HD23      LEU 125 -35.791   1.386   5.442
  947    H    GLU 126           HN       GLU 126 -39.248   0.126   3.276
  948    HA   GLU 126           HA       GLU 126 -41.405  -0.493   2.906
  949   1HB   GLU 126          HB2       GLU 126 -41.523  -0.277   5.341
  950   2HB   GLU 126          HB1       GLU 126 -41.912   1.430   5.184
  951   1HG   GLU 126          HG2       GLU 126 -43.892   0.107   5.665
  952   2HG   GLU 126          HG1       GLU 126 -44.003   0.874   4.081
  953    H    HIS 127           HN       HIS 127 -41.703   0.330   0.849
  954    HA   HIS 127           HA       HIS 127 -43.752   2.237   0.517
  955   1HB   HIS 127          HB2       HIS 127 -42.077   3.898   1.023
  956   2HB   HIS 127          HB1       HIS 127 -40.953   3.180  -0.125
  957    HD1  HIS 127           HD1      HIS 127 -40.881   4.286  -2.329
  958    HD2  HIS 127           HD2      HIS 127 -44.506   4.921  -0.400
  959    HE1  HIS 127           HE1      HIS 127 -42.174   5.840  -3.823
  960    HE2  HIS 127           HE2      HIS 127 -44.342   6.257  -2.608
  961    H    HIS 128           HN       HIS 128 -44.675   2.043  -1.464
  962    HA   HIS 128           HA       HIS 128 -43.159   0.798  -3.631
  963   1HB   HIS 128          HB2       HIS 128 -45.780  -0.278  -2.574
  964   2HB   HIS 128          HB1       HIS 128 -45.018  -0.795  -4.075
  965    HD1  HIS 128           HD1      HIS 128 -45.212  -1.630  -0.581
  966    HD2  HIS 128           HD2      HIS 128 -42.328  -1.961  -3.553
  967    HE1  HIS 128           HE1      HIS 128 -43.571  -3.337   0.262
  968    HE2  HIS 128           HE2      HIS 128 -41.795  -3.466  -1.519
  969    H    HIS 129           HN       HIS 129 -45.201   3.167  -2.586
  970    HA   HIS 129           HA       HIS 129 -47.085   3.477  -4.614
  971   1HB   HIS 129          HB2       HIS 129 -47.085   4.790  -2.525
  972   2HB   HIS 129          HB1       HIS 129 -45.651   5.651  -3.073
  973    HD1  HIS 129           HD1      HIS 129 -45.968   7.495  -4.826
  974    HD2  HIS 129           HD2      HIS 129 -49.489   5.545  -3.792
  975    HE1  HIS 129           HE1      HIS 129 -47.821   8.895  -5.792
  976    HE2  HIS 129           HE2      HIS 129 -49.944   7.754  -5.059
  977    H    HIS 130           HN       HIS 130 -46.559   3.341  -6.707
  978    HA   HIS 130           HA       HIS 130 -45.039   5.423  -7.928
  979   1HB   HIS 130          HB2       HIS 130 -43.135   4.111  -7.252
  980   2HB   HIS 130          HB1       HIS 130 -43.870   2.635  -7.867
  981    HD1  HIS 130           HD1      HIS 130 -43.531   2.092 -10.309
  982    HD2  HIS 130           HD2      HIS 130 -42.183   5.889  -9.293
  983    HE1  HIS 130           HE1      HIS 130 -42.266   2.917 -12.320
  984    HE2  HIS 130           HE2      HIS 130 -41.473   5.224 -11.689
  985    H    HIS 131           HN       HIS 131 -45.957   5.816  -9.833
  986    HA   HIS 131           HA       HIS 131 -46.843   3.660 -11.543
  987   1HB   HIS 131          HB2       HIS 131 -48.777   4.017 -10.031
  988   2HB   HIS 131          HB1       HIS 131 -48.843   5.700 -10.546
  989    HD1  HIS 131           HD1      HIS 131 -48.921   2.296 -12.258
  990    HD2  HIS 131           HD2      HIS 131 -50.638   6.069 -12.520
  991    HE1  HIS 131           HE1      HIS 131 -50.575   2.150 -14.145
  992    HE2  HIS 131           HE2      HIS 131 -51.673   4.417 -14.221
  993    H    HIS 132           HN       HIS 132 -47.024   7.176 -11.012
  994    HA   HIS 132           HA       HIS 132 -46.968   7.725 -13.837
  995   1HB   HIS 132          HB2       HIS 132 -46.740   9.565 -11.449
  996   2HB   HIS 132          HB1       HIS 132 -46.872  10.103 -13.119
  997    HD1  HIS 132           HD1      HIS 132 -48.883   9.350 -10.226
  998    HD2  HIS 132           HD2      HIS 132 -49.419   9.193 -14.344
  999    HE1  HIS 132           HE1      HIS 132 -51.372   9.271 -10.577
 1000    HE2  HIS 132           HE2      HIS 132 -51.674   9.247 -13.079
  Start of MODEL   40
    1   1H    MET   0           HT1      MET   0  35.482  -1.989  -0.922
    2   2H    MET   0           HT2      MET   0  35.644  -0.307  -0.837
    3   3H    MET   0           HT3      MET   0  36.684  -1.207  -1.822
    4    HA   MET   0           HA       MET   0  35.087  -0.147  -3.205
    5   1HB   MET   0          HB2       MET   0  34.358  -3.065  -2.878
    6   2HB   MET   0          HB1       MET   0  34.125  -2.085  -4.320
    7   1HG   MET   0          HG2       MET   0  36.565  -1.826  -4.509
    8   2HG   MET   0          HG1       MET   0  36.763  -2.873  -3.105
    9   1HE   MET   0          HE1       MET   0  37.933  -5.012  -6.239
   10   2HE   MET   0          HE2       MET   0  38.431  -4.381  -4.669
   11   3HE   MET   0          HE3       MET   0  38.105  -3.272  -6.001
   12    H    ASN   1           HN       ASN   1  32.877   0.179  -3.823
   13    HA   ASN   1           HA       ASN   1  31.029  -0.013  -1.539
   14   1HB   ASN   1          HB2       ASN   1  31.414   2.112  -3.626
   15   2HB   ASN   1          HB1       ASN   1  29.877   1.955  -2.779
   16   1HD2  ASN   1          HD21      ASN   1  29.789   2.335  -0.575
   17   2HD2  ASN   1          HD22      ASN   1  31.017   3.217   0.256
   18    H    CYS   2           HN       CYS   2  28.641   0.230  -2.371
   19    HA   CYS   2           HA       CYS   2  28.253  -2.001  -4.183
   20   1HB   CYS   2          HB2       CYS   2  26.416  -0.460  -2.369
   21   2HB   CYS   2          HB1       CYS   2  25.802  -1.631  -3.535
   22    H    GLY   3           HN       GLY   3  28.517   1.289  -4.547
   23   1HA   GLY   3          HA2       GLY   3  28.374   2.334  -6.684
   24   2HA   GLY   3          HA1       GLY   3  27.153   1.153  -7.145
   25    HA   PRO   4           HA       PRO   4  25.546   5.472  -5.427
   26   1HB   PRO   4          HB2       PRO   4  24.679   5.518  -8.292
   27   2HB   PRO   4          HB1       PRO   4  25.107   6.864  -7.227
   28   1HG   PRO   4          HG2       PRO   4  26.857   6.021  -9.021
   29   2HG   PRO   4          HG1       PRO   4  27.398   6.412  -7.378
   30   1HD   PRO   4          HD2       PRO   4  26.963   3.739  -8.640
   31   2HD   PRO   4          HD1       PRO   4  28.216   4.255  -7.495
   32    HA   PRO   5           HA       PRO   5  21.879   3.149  -4.440
   33   1HB   PRO   5          HB2       PRO   5  20.837   5.922  -4.060
   34   2HB   PRO   5          HB1       PRO   5  20.716   4.518  -2.992
   35   1HG   PRO   5          HG2       PRO   5  22.465   6.450  -2.477
   36   2HG   PRO   5          HG1       PRO   5  22.898   4.748  -2.229
   37   1HD   PRO   5          HD2       PRO   5  23.713   6.618  -4.404
   38   2HD   PRO   5          HD1       PRO   5  24.627   5.300  -3.646
   39    HA   PRO   6           HA       PRO   6  19.651   3.547  -8.301
   40   1HB   PRO   6          HB2       PRO   6  18.009   1.444  -7.938
   41   2HB   PRO   6          HB1       PRO   6  19.722   1.237  -8.322
   42   1HG   PRO   6          HG2       PRO   6  18.318   1.039  -5.687
   43   2HG   PRO   6          HG1       PRO   6  19.599   0.009  -6.353
   44   1HD   PRO   6          HD2       PRO   6  20.038   2.000  -4.529
   45   2HD   PRO   6          HD1       PRO   6  21.256   1.440  -5.689
   46    H    THR   7           HN       THR   7  17.306   3.332  -8.902
   47    HA   THR   7           HA       THR   7  15.667   5.032  -7.136
   48    HB   THR   7           HB       THR   7  15.225   4.542 -10.079
   49    HG1  THR   7           HG1      THR   7  17.212   5.930  -8.903
   50   1HG2  THR   7          HG21      THR   7  14.385   6.834  -8.303
   51   2HG2  THR   7          HG22      THR   7  13.357   5.456  -8.695
   52   3HG2  THR   7          HG23      THR   7  13.898   6.545  -9.973
   53    H    LEU   8           HN       LEU   8  15.281   2.754  -6.039
   54    HA   LEU   8           HA       LEU   8  14.049   0.609  -7.291
   55   1HB   LEU   8          HB2       LEU   8  13.645   1.668  -4.495
   56   2HB   LEU   8          HB1       LEU   8  13.099   0.100  -5.050
   57    HG   LEU   8           HG       LEU   8  15.586  -0.349  -5.589
   58   1HD1  LEU   8          HD11      LEU   8  16.454   1.878  -5.368
   59   2HD1  LEU   8          HD12      LEU   8  17.120   0.888  -4.069
   60   3HD1  LEU   8          HD13      LEU   8  15.807   2.017  -3.734
   61   1HD2  LEU   8          HD21      LEU   8  15.983  -1.065  -3.273
   62   2HD2  LEU   8          HD22      LEU   8  14.358  -1.472  -3.822
   63   3HD2  LEU   8          HD23      LEU   8  14.607  -0.096  -2.748
   64    H    SER   9           HN       SER   9  11.670   0.139  -6.001
   65    HA   SER   9           HA       SER   9   9.872   2.259  -6.955
   66   1HB   SER   9          HB2       SER   9  10.022   0.478  -8.679
   67   2HB   SER   9          HB1       SER   9   9.470  -0.695  -7.483
   68    HG   SER   9           HG       SER   9   7.573   0.705  -7.271
   69    H    PHE  10           HN       PHE  10  10.237  -0.668  -5.014
   70    HA   PHE  10           HA       PHE  10   7.790  -0.492  -3.645
   71   1HB   PHE  10          HB2       PHE  10  10.281  -1.605  -2.387
   72   2HB   PHE  10          HB1       PHE  10   8.621  -2.148  -2.198
   73    HD1  PHE  10           HD1      PHE  10  11.592  -2.249  -4.324
   74    HD2  PHE  10           HD2      PHE  10   7.587  -3.600  -3.825
   75    HE1  PHE  10           HE1      PHE  10  11.960  -3.963  -6.050
   76    HE2  PHE  10           HE2      PHE  10   7.948  -5.316  -5.551
   77    HZ   PHE  10           HZ       PHE  10  10.137  -5.500  -6.665
   78    H    ALA  11           HN       ALA  11  10.625   1.381  -3.445
   79    HA   ALA  11           HA       ALA  11   9.491   2.886  -1.217
   80   1HB   ALA  11          HB1       ALA  11  12.239   1.681  -1.086
   81   2HB   ALA  11          HB2       ALA  11  10.833   1.195  -0.134
   82   3HB   ALA  11          HB3       ALA  11  11.536   2.799   0.083
   83    H    ALA  12           HN       ALA  12  10.439   4.900  -0.875
   84    HA   ALA  12           HA       ALA  12  12.223   5.887  -2.999
   85   1HB   ALA  12          HB1       ALA  12  10.033   7.421  -1.599
   86   2HB   ALA  12          HB2       ALA  12   9.926   6.739  -3.222
   87   3HB   ALA  12          HB3       ALA  12  11.087   8.024  -2.881
   88    HA   PRO  13           HA       PRO  13  14.999   7.371   0.064
   89   1HB   PRO  13          HB2       PRO  13  15.611   9.911  -0.697
   90   2HB   PRO  13          HB1       PRO  13  16.205   8.477  -1.539
   91   1HG   PRO  13          HG2       PRO  13  13.934  10.286  -2.245
   92   2HG   PRO  13          HG1       PRO  13  15.147   9.545  -3.304
   93   1HD   PRO  13          HD2       PRO  13  12.618   8.583  -3.037
   94   2HD   PRO  13          HD1       PRO  13  14.006   7.548  -3.410
   95    H    MET  14           HN       MET  14  14.977   8.224   2.065
   96    HA   MET  14           HA       MET  14  13.271  10.501   2.673
   97   1HB   MET  14          HB2       MET  14  11.838   8.466   2.886
   98   2HB   MET  14          HB1       MET  14  12.930   7.881   4.132
   99   1HG   MET  14          HG2       MET  14  11.049   8.846   5.208
  100   2HG   MET  14          HG1       MET  14  12.418   9.929   5.449
  101   1HE   MET  14          HE1       MET  14  11.549  13.103   3.597
  102   2HE   MET  14          HE2       MET  14  12.818  11.903   3.347
  103   3HE   MET  14          HE3       MET  14  12.366  12.381   4.983
  104    H    ASP  15           HN       ASP  15  16.040   8.671   3.196
  105    HA   ASP  15           HA       ASP  15  16.996  10.527   5.172
  106   1HB   ASP  15          HB2       ASP  15  15.748   8.846   6.540
  107   2HB   ASP  15          HB1       ASP  15  16.845   7.608   5.941
  108    H    ILE  16           HN       ILE  16  18.502  10.919   3.486
  109    HA   ILE  16           HA       ILE  16  20.934   9.583   3.723
  110    HB   ILE  16           HB       ILE  16  20.074   7.767   2.520
  111   1HG1  ILE  16          HG12      ILE  16  21.444   9.483   0.461
  112   2HG1  ILE  16          HG11      ILE  16  22.282   8.612   1.742
  113   1HG2  ILE  16          HG21      ILE  16  18.820   7.896   0.468
  114   2HG2  ILE  16          HG22      ILE  16  18.990   9.652   0.451
  115   3HG2  ILE  16          HG23      ILE  16  18.034   8.871   1.712
  116   1HD1  ILE  16          HD11      ILE  16  21.687   6.516   0.820
  117   2HD1  ILE  16          HD12      ILE  16  22.295   7.511  -0.503
  118   3HD1  ILE  16          HD13      ILE  16  20.560   7.260  -0.313
  119    H    THR  17           HN       THR  17  21.836  11.612   3.778
  120    HA   THR  17           HA       THR  17  21.279  13.712   2.032
  121    HB   THR  17           HB       THR  17  23.674  14.464   2.524
  122    HG1  THR  17           HG1      THR  17  23.614  11.961   3.755
  123   1HG2  THR  17          HG21      THR  17  21.833  13.864   4.844
  124   2HG2  THR  17          HG22      THR  17  21.754  15.278   3.793
  125   3HG2  THR  17          HG23      THR  17  23.145  15.044   4.852
  126    H    LEU  18           HN       LEU  18  21.446  13.743  -0.101
  127    HA   LEU  18           HA       LEU  18  22.983  11.801  -1.497
  128   1HB   LEU  18          HB2       LEU  18  21.100  13.977  -2.207
  129   2HB   LEU  18          HB1       LEU  18  22.233  13.485  -3.446
  130    HG   LEU  18           HG       LEU  18  20.169  12.294  -3.762
  131   1HD1  LEU  18          HD11      LEU  18  22.142  11.026  -4.282
  132   2HD1  LEU  18          HD12      LEU  18  20.955   9.952  -3.541
  133   3HD1  LEU  18          HD13      LEU  18  22.323  10.540  -2.596
  134   1HD2  LEU  18          HD21      LEU  18  19.254  10.810  -2.046
  135   2HD2  LEU  18          HD22      LEU  18  19.280  12.490  -1.507
  136   3HD2  LEU  18          HD23      LEU  18  20.495  11.356  -0.916
  137    H    THR  19           HN       THR  19  24.502  13.579   0.176
  138    HA   THR  19           HA       THR  19  25.893  15.408  -1.588
  139    HB   THR  19           HB       THR  19  27.175  16.055   0.360
  140    HG1  THR  19           HG1      THR  19  25.815  14.250   2.022
  141   1HG2  THR  19          HG21      THR  19  24.227  15.682   0.856
  142   2HG2  THR  19          HG22      THR  19  25.061  17.127   0.279
  143   3HG2  THR  19          HG23      THR  19  25.268  16.596   1.948
  144    H    GLU  20           HN       GLU  20  25.945  12.210  -1.345
  145    HA   GLU  20           HA       GLU  20  28.791  12.051  -2.042
  146   1HB   GLU  20          HB2       GLU  20  27.319  10.129  -0.232
  147   2HB   GLU  20          HB1       GLU  20  28.959   9.903  -0.828
  148   1HG   GLU  20          HG2       GLU  20  29.561  12.056   0.308
  149   2HG   GLU  20          HG1       GLU  20  27.962  12.025   1.050
  150    H    THR  21           HN       THR  21  29.025   9.447  -2.683
  151    HA   THR  21           HA       THR  21  26.829   8.798  -4.512
  152    HB   THR  21           HB       THR  21  29.591   8.513  -5.583
  153    HG1  THR  21           HG1      THR  21  28.179  10.961  -5.308
  154   1HG2  THR  21          HG21      THR  21  28.493   8.829  -7.694
  155   2HG2  THR  21          HG22      THR  21  27.009   9.352  -6.898
  156   3HG2  THR  21          HG23      THR  21  27.545   7.679  -6.753
  157    H    ARG  22           HN       ARG  22  29.147   7.853  -2.281
  158    HA   ARG  22           HA       ARG  22  28.804   5.018  -2.998
  159   1HB   ARG  22          HB2       ARG  22  31.252   6.301  -1.795
  160   2HB   ARG  22          HB1       ARG  22  31.036   4.584  -2.092
  161   1HG   ARG  22          HG2       ARG  22  30.867   5.037  -4.499
  162   2HG   ARG  22          HG1       ARG  22  31.143   6.750  -4.177
  163   1HD   ARG  22          HD2       ARG  22  33.050   4.506  -3.526
  164   2HD   ARG  22          HD1       ARG  22  33.193   5.613  -4.892
  165    HE   ARG  22           HE       ARG  22  33.037   7.112  -2.528
  166   1HH1  ARG  22          HH11      ARG  22  35.208   4.932  -4.165
  167   2HH1  ARG  22          HH12      ARG  22  36.635   5.633  -3.477
  168   1HH2  ARG  22          HH21      ARG  22  34.911   8.039  -1.619
  169   2HH2  ARG  22          HH22      ARG  22  36.466   7.396  -2.031
  170    H    PHE  23           HN       PHE  23  28.645   3.567  -1.190
  171    HA   PHE  23           HA       PHE  23  28.447   4.738   1.471
  172   1HB   PHE  23          HB2       PHE  23  26.176   3.194   0.189
  173   2HB   PHE  23          HB1       PHE  23  26.218   3.778   1.851
  174    HD1  PHE  23           HD1      PHE  23  25.465   5.920   2.377
  175    HD2  PHE  23           HD2      PHE  23  26.276   4.918  -1.677
  176    HE1  PHE  23           HE1      PHE  23  24.493   8.063   1.654
  177    HE2  PHE  23           HE2      PHE  23  25.318   7.054  -2.407
  178    HZ   PHE  23           HZ       PHE  23  24.415   8.633  -0.741
  179    H    LYS  24           HN       LYS  24  29.776   3.499   2.624
  180    HA   LYS  24           HA       LYS  24  30.881   1.082   1.980
  181   1HB   LYS  24          HB2       LYS  24  30.263   1.929   4.804
  182   2HB   LYS  24          HB1       LYS  24  31.554   0.863   4.271
  183   1HG   LYS  24          HG2       LYS  24  32.576   2.742   3.054
  184   2HG   LYS  24          HG1       LYS  24  31.302   3.798   3.666
  185   1HD   LYS  24          HD2       LYS  24  33.176   2.233   5.431
  186   2HD   LYS  24          HD1       LYS  24  33.447   3.909   4.947
  187   1HE   LYS  24          HE2       LYS  24  31.107   2.846   6.524
  188   2HE   LYS  24          HE1       LYS  24  32.430   3.835   7.143
  189   1HZ   LYS  24          HZ1       LYS  24  30.451   4.684   5.097
  190   2HZ   LYS  24          HZ2       LYS  24  31.717   5.632   5.694
  191   3HZ   LYS  24          HZ3       LYS  24  30.458   5.161   6.720
  192    H    THR  25           HN       THR  25  30.699  -1.000   3.243
  193    HA   THR  25           HA       THR  25  28.177  -2.156   2.730
  194    HB   THR  25           HB       THR  25  29.246  -4.045   4.190
  195    HG1  THR  25           HG1      THR  25  31.691  -3.206   3.319
  196   1HG2  THR  25          HG21      THR  25  28.821  -4.166   1.764
  197   2HG2  THR  25          HG22      THR  25  30.351  -4.931   2.193
  198   3HG2  THR  25          HG23      THR  25  30.339  -3.321   1.470
  199    H    GLY  26           HN       GLY  26  29.238  -0.342   5.320
  200   1HA   GLY  26          HA2       GLY  26  27.562  -1.717   7.287
  201   2HA   GLY  26          HA1       GLY  26  28.652  -0.376   7.615
  202    H    THR  27           HN       THR  27  27.405   0.810   5.054
  203    HA   THR  27           HA       THR  27  25.658   2.614   6.318
  204    HB   THR  27           HB       THR  27  26.927   2.848   4.062
  205    HG1  THR  27           HG1      THR  27  24.353   3.878   3.782
  206   1HG2  THR  27          HG21      THR  27  24.308   2.114   2.830
  207   2HG2  THR  27          HG22      THR  27  25.467   0.830   3.187
  208   3HG2  THR  27          HG23      THR  27  25.923   2.151   2.111
  209    H    THR  28           HN       THR  28  23.376   3.018   5.642
  210    HA   THR  28           HA       THR  28  21.780   0.863   4.671
  211    HB   THR  28           HB       THR  28  21.623   1.505   7.627
  212    HG1  THR  28           HG1      THR  28  23.104  -0.089   7.366
  213   1HG2  THR  28          HG21      THR  28  19.385   1.305   6.537
  214   2HG2  THR  28          HG22      THR  28  19.702   0.066   7.751
  215   3HG2  THR  28          HG23      THR  28  19.828  -0.327   6.035
  216    H    LEU  29           HN       LEU  29  20.129   1.774   3.632
  217    HA   LEU  29           HA       LEU  29  19.509   4.560   4.202
  218   1HB   LEU  29          HB2       LEU  29  18.663   2.733   1.953
  219   2HB   LEU  29          HB1       LEU  29  18.126   4.393   2.114
  220    HG   LEU  29           HG       LEU  29  20.537   5.102   1.976
  221   1HD1  LEU  29          HD11      LEU  29  22.087   3.452   0.942
  222   2HD1  LEU  29          HD12      LEU  29  20.898   2.194   1.282
  223   3HD1  LEU  29          HD13      LEU  29  21.648   3.080   2.609
  224   1HD2  LEU  29          HD21      LEU  29  19.108   5.307   0.054
  225   2HD2  LEU  29          HD22      LEU  29  19.337   3.605  -0.346
  226   3HD2  LEU  29          HD23      LEU  29  20.690   4.729  -0.467
  227    H    LYS  30           HN       LYS  30  17.229   5.269   4.304
  228    HA   LYS  30           HA       LYS  30  15.696   3.436   5.960
  229   1HB   LYS  30          HB2       LYS  30  16.107   6.110   6.170
  230   2HB   LYS  30          HB1       LYS  30  14.561   6.088   5.329
  231   1HG   LYS  30          HG2       LYS  30  15.152   4.691   7.933
  232   2HG   LYS  30          HG1       LYS  30  14.298   6.225   7.760
  233   1HD   LYS  30          HD2       LYS  30  13.391   3.623   6.533
  234   2HD   LYS  30          HD1       LYS  30  12.796   4.263   8.066
  235   1HE   LYS  30          HE2       LYS  30  12.557   5.579   5.362
  236   2HE   LYS  30          HE1       LYS  30  11.258   4.797   6.262
  237   1HZ   LYS  30          HZ1       LYS  30  11.433   6.458   7.966
  238   2HZ   LYS  30          HZ2       LYS  30  11.247   7.230   6.472
  239   3HZ   LYS  30          HZ3       LYS  30  12.768   7.171   7.209
  240    H    TYR  31           HN       TYR  31  14.562   5.766   3.551
  241    HA   TYR  31           HA       TYR  31  13.163   5.591   1.783
  242   1HB   TYR  31          HB2       TYR  31  14.218   2.817   1.979
  243   2HB   TYR  31          HB1       TYR  31  12.807   3.087   0.961
  244    HD1  TYR  31           HD1      TYR  31  13.329   3.276  -1.268
  245    HD2  TYR  31           HD2      TYR  31  16.028   4.897   1.592
  246    HE1  TYR  31           HE1      TYR  31  14.785   4.050  -3.091
  247    HE2  TYR  31           HE2      TYR  31  17.492   5.676  -0.223
  248    HH   TYR  31           HH       TYR  31  17.952   5.091  -2.598
  249    H    THR  32           HN       THR  32  11.013   5.453   1.406
  250    HA   THR  32           HA       THR  32   9.383   4.041   3.417
  251    HB   THR  32           HB       THR  32   8.975   6.235   4.010
  252    HG1  THR  32           HG1      THR  32   7.002   5.158   3.294
  253   1HG2  THR  32          HG21      THR  32  10.329   7.282   2.271
  254   2HG2  THR  32          HG22      THR  32   8.778   8.105   2.434
  255   3HG2  THR  32          HG23      THR  32   9.050   6.998   1.089
  256    H    CYS  33           HN       CYS  33   7.178   3.470   2.660
  257    HA   CYS  33           HA       CYS  33   7.299   2.670  -0.163
  258   1HB   CYS  33          HB2       CYS  33   5.733   1.521   2.148
  259   2HB   CYS  33          HB1       CYS  33   5.579   0.974   0.480
  260    H    LEU  34           HN       LEU  34   5.831   3.074  -1.560
  261    HA   LEU  34           HA       LEU  34   4.294   5.409  -1.417
  262   1HB   LEU  34          HB2       LEU  34   3.825   3.118  -3.318
  263   2HB   LEU  34          HB1       LEU  34   3.388   4.798  -3.563
  264    HG   LEU  34           HG       LEU  34   6.221   3.764  -3.354
  265   1HD1  LEU  34          HD11      LEU  34   4.724   4.705  -5.793
  266   2HD1  LEU  34          HD12      LEU  34   5.024   3.014  -5.388
  267   3HD1  LEU  34          HD13      LEU  34   6.378   4.094  -5.725
  268   1HD2  LEU  34          HD21      LEU  34   5.161   6.488  -4.093
  269   2HD2  LEU  34          HD22      LEU  34   6.853   5.991  -4.123
  270   3HD2  LEU  34          HD23      LEU  34   5.983   6.068  -2.591
  271    HA   PRO  35           HA       PRO  35   0.359   4.914   0.455
  272   1HB   PRO  35          HB2       PRO  35  -0.747   4.837  -2.325
  273   2HB   PRO  35          HB1       PRO  35  -1.337   5.715  -0.910
  274   1HG   PRO  35          HG2       PRO  35   0.131   6.911  -2.830
  275   2HG   PRO  35          HG1       PRO  35   0.233   7.384  -1.126
  276   1HD   PRO  35          HD2       PRO  35   2.215   6.014  -2.794
  277   2HD   PRO  35          HD1       PRO  35   2.427   6.821  -1.229
  278    H    GLY  36           HN       GLY  36  -0.403   3.275  -2.547
  279   1HA   GLY  36          HA2       GLY  36  -1.713   1.123  -1.346
  280   2HA   GLY  36          HA1       GLY  36  -1.123   1.142  -2.999
  281    H    TYR  37           HN       TYR  37   1.672   1.614  -1.836
  282    HA   TYR  37           HA       TYR  37   2.513  -1.090  -1.958
  283   1HB   TYR  37          HB2       TYR  37   3.806   1.509  -1.483
  284   2HB   TYR  37          HB1       TYR  37   4.558   0.183  -0.603
  285    HD1  TYR  37           HD1      TYR  37   5.021  -1.983  -2.063
  286    HD2  TYR  37           HD2      TYR  37   4.524   1.944  -3.625
  287    HE1  TYR  37           HE1      TYR  37   6.188  -2.658  -4.118
  288    HE2  TYR  37           HE2      TYR  37   5.696   1.283  -5.683
  289    HH   TYR  37           HH       TYR  37   7.320  -0.440  -6.405
  290    H    VAL  38           HN       VAL  38   1.081  -2.106  -0.404
  291    HA   VAL  38           HA       VAL  38   1.216  -1.524   2.365
  292    HB   VAL  38           HB       VAL  38  -0.190  -3.326   0.534
  293   1HG1  VAL  38          HG11      VAL  38   0.297  -4.273   3.346
  294   2HG1  VAL  38          HG12      VAL  38   0.862  -5.043   1.860
  295   3HG1  VAL  38          HG13      VAL  38  -0.866  -4.959   2.207
  296   1HG2  VAL  38          HG21      VAL  38  -1.126  -1.300   1.623
  297   2HG2  VAL  38          HG22      VAL  38  -1.082  -2.170   3.158
  298   3HG2  VAL  38          HG23      VAL  38  -2.087  -2.762   1.833
  299    H    ARG  39           HN       ARG  39   2.112  -2.805   4.021
  300    HA   ARG  39           HA       ARG  39   4.069  -4.817   3.148
  301   1HB   ARG  39          HB2       ARG  39   5.673  -4.010   4.783
  302   2HB   ARG  39          HB1       ARG  39   5.226  -2.705   3.694
  303   1HG   ARG  39          HG2       ARG  39   3.703  -1.814   5.390
  304   2HG   ARG  39          HG1       ARG  39   4.171  -3.118   6.484
  305   1HD   ARG  39          HD2       ARG  39   6.491  -2.327   6.421
  306   2HD   ARG  39          HD1       ARG  39   6.007  -1.012   5.351
  307    HE   ARG  39           HE       ARG  39   4.466  -0.969   7.721
  308   1HH1  ARG  39          HH11      ARG  39   7.654  -0.253   6.513
  309   2HH1  ARG  39          HH12      ARG  39   7.981   0.949   7.715
  310   1HH2  ARG  39          HH21      ARG  39   4.885   0.610   9.310
  311   2HH2  ARG  39          HH22      ARG  39   6.406   1.439   9.309
  312    H    SER  40           HN       SER  40   4.151  -6.648   4.297
  313    HA   SER  40           HA       SER  40   2.319  -6.877   6.585
  314   1HB   SER  40          HB2       SER  40   1.679  -8.335   4.773
  315   2HB   SER  40          HB1       SER  40   3.322  -8.959   4.629
  316    HG   SER  40           HG       SER  40   2.046 -10.406   5.799
  317    H    HIS  41           HN       HIS  41   5.523  -7.786   5.402
  318    HA   HIS  41           HA       HIS  41   6.794  -7.458   7.880
  319   1HB   HIS  41          HB2       HIS  41   5.359  -9.683   8.078
  320   2HB   HIS  41          HB1       HIS  41   6.739 -10.373   7.236
  321    HD1  HIS  41           HD1      HIS  41   6.145  -8.225  10.326
  322    HD2  HIS  41           HD2      HIS  41   8.667 -11.219   8.930
  323    HE1  HIS  41           HE1      HIS  41   7.650  -8.792  12.259
  324    HE2  HIS  41           HE2      HIS  41   9.085 -10.688  11.428
  325    H    SER  42           HN       SER  42   8.918  -9.182   7.698
  326    HA   SER  42           HA       SER  42  10.866  -9.606   6.602
  327   1HB   SER  42          HB2       SER  42   9.204  -9.234   4.106
  328   2HB   SER  42          HB1       SER  42  10.819  -9.943   4.168
  329    HG   SER  42           HG       SER  42  10.023 -11.694   5.209
  330    H    THR  43           HN       THR  43   9.258  -6.725   6.498
  331    HA   THR  43           HA       THR  43  10.432  -5.031   4.756
  332    HB   THR  43           HB       THR  43  10.341  -3.290   6.572
  333    HG1  THR  43           HG1      THR  43   9.792  -5.606   8.067
  334   1HG2  THR  43          HG21      THR  43   8.425  -3.736   5.125
  335   2HG2  THR  43          HG22      THR  43   7.897  -3.348   6.762
  336   3HG2  THR  43          HG23      THR  43   7.900  -5.024   6.211
  337    H    GLN  44           HN       GLN  44  12.409  -4.310   4.296
  338    HA   GLN  44           HA       GLN  44  14.533  -4.656   6.300
  339   1HB   GLN  44          HB2       GLN  44  14.578  -5.408   3.385
  340   2HB   GLN  44          HB1       GLN  44  16.056  -5.140   4.297
  341   1HG   GLN  44          HG2       GLN  44  13.938  -7.144   5.038
  342   2HG   GLN  44          HG1       GLN  44  15.398  -7.517   4.123
  343   1HE2  GLN  44          HE21      GLN  44  17.391  -7.490   5.159
  344   2HE2  GLN  44          HE22      GLN  44  17.533  -7.517   6.881
  345    H    THR  45           HN       THR  45  16.483  -3.692   4.289
  346    HA   THR  45           HA       THR  45  15.764  -0.966   3.715
  347    HB   THR  45           HB       THR  45  17.751  -0.074   5.004
  348    HG1  THR  45           HG1      THR  45  18.398  -2.457   5.404
  349   1HG2  THR  45          HG21      THR  45  16.552   0.100   7.123
  350   2HG2  THR  45          HG22      THR  45  15.510  -1.246   6.661
  351   3HG2  THR  45          HG23      THR  45  15.438   0.273   5.766
  352    H    LEU  46           HN       LEU  46  18.247   0.060   3.223
  353    HA   LEU  46           HA       LEU  46  19.294  -1.892   1.288
  354   1HB   LEU  46          HB2       LEU  46  18.919   1.068   1.070
  355   2HB   LEU  46          HB1       LEU  46  20.116   0.245   0.084
  356    HG   LEU  46           HG       LEU  46  17.154  -0.354   0.126
  357   1HD1  LEU  46          HD11      LEU  46  18.884   0.984  -1.936
  358   2HD1  LEU  46          HD12      LEU  46  17.627   1.745  -0.959
  359   3HD1  LEU  46          HD13      LEU  46  17.196   0.525  -2.157
  360   1HD2  LEU  46          HD21      LEU  46  17.691  -1.785  -1.823
  361   2HD2  LEU  46          HD22      LEU  46  18.387  -2.366  -0.310
  362   3HD2  LEU  46          HD23      LEU  46  19.404  -1.536  -1.488
  363    H    THR  47           HN       THR  47  20.903  -2.777   2.405
  364    HA   THR  47           HA       THR  47  23.000  -1.005   3.479
  365    HB   THR  47           HB       THR  47  22.556  -3.943   4.068
  366    HG1  THR  47           HG1      THR  47  21.036  -2.100   4.901
  367   1HG2  THR  47          HG21      THR  47  24.882  -3.131   4.320
  368   2HG2  THR  47          HG22      THR  47  24.162  -3.639   5.848
  369   3HG2  THR  47          HG23      THR  47  24.308  -1.922   5.469
  370    H    CYS  48           HN       CYS  48  25.111  -1.235   2.714
  371    HA   CYS  48           HA       CYS  48  25.367  -2.530   0.186
  372   1HB   CYS  48          HB2       CYS  48  26.642  -0.453   0.851
  373   2HB   CYS  48          HB1       CYS  48  27.596  -1.457   1.926
  374    H    ASN  49           HN       ASN  49  25.622  -4.602  -0.078
  375    HA   ASN  49           HA       ASN  49  26.717  -6.217   2.101
  376   1HB   ASN  49          HB2       ASN  49  25.896  -8.134   0.607
  377   2HB   ASN  49          HB1       ASN  49  24.658  -7.108   1.332
  378   1HD2  ASN  49          HD21      ASN  49  23.590  -5.591   0.036
  379   2HD2  ASN  49          HD22      ASN  49  23.533  -5.760  -1.682
  380    H    SER  50           HN       SER  50  28.037  -8.205   1.195
  381    HA   SER  50           HA       SER  50  30.267  -7.043  -0.249
  382   1HB   SER  50          HB2       SER  50  30.757  -8.422   1.701
  383   2HB   SER  50          HB1       SER  50  29.910  -9.793   0.981
  384    HG   SER  50           HG       SER  50  31.606  -9.196  -0.822
  385    H    ASP  51           HN       ASP  51  28.653  -6.829  -2.054
  386    HA   ASP  51           HA       ASP  51  29.118  -8.898  -4.064
  387   1HB   ASP  51          HB2       ASP  51  26.333  -7.976  -3.360
  388   2HB   ASP  51          HB1       ASP  51  26.772  -9.063  -4.674
  389    H    GLY  52           HN       GLY  52  29.105  -5.802  -3.117
  390   1HA   GLY  52          HA2       GLY  52  29.242  -3.799  -4.211
  391   2HA   GLY  52          HA1       GLY  52  29.490  -4.732  -5.677
  392    H    GLU  53           HN       GLU  53  26.652  -5.403  -3.989
  393    HA   GLU  53           HA       GLU  53  25.054  -3.491  -5.558
  394   1HB   GLU  53          HB2       GLU  53  23.573  -5.144  -6.334
  395   2HB   GLU  53          HB1       GLU  53  25.168  -5.845  -6.572
  396   1HG   GLU  53          HG2       GLU  53  24.876  -7.059  -4.413
  397   2HG   GLU  53          HG1       GLU  53  23.218  -6.464  -4.369
  398    H    TRP  54           HN       TRP  54  22.668  -3.592  -4.757
  399    HA   TRP  54           HA       TRP  54  22.756  -3.489  -1.846
  400   1HB   TRP  54          HB2       TRP  54  20.680  -2.420  -3.768
  401   2HB   TRP  54          HB1       TRP  54  20.746  -2.127  -2.038
  402    HD1  TRP  54           HD1      TRP  54  21.967  -0.769  -5.278
  403    HE1  TRP  54           HE1      TRP  54  23.583   1.191  -4.872
  404    HE3  TRP  54           HE3      TRP  54  22.700  -1.350  -0.254
  405    HZ2  TRP  54           HZ2      TRP  54  24.989   2.342  -2.706
  406    HZ3  TRP  54           HZ3      TRP  54  24.195   0.222   0.911
  407    HH2  TRP  54           HH2      TRP  54  25.313   2.028  -0.292
  408    H    VAL  55           HN       VAL  55  22.013  -5.062  -0.741
  409    HA   VAL  55           HA       VAL  55  20.247  -7.117  -1.908
  410    HB   VAL  55           HB       VAL  55  22.398  -7.078   0.143
  411   1HG1  VAL  55          HG11      VAL  55  20.014  -8.903   0.368
  412   2HG1  VAL  55          HG12      VAL  55  20.531  -7.681   1.531
  413   3HG1  VAL  55          HG13      VAL  55  21.536  -9.100   1.241
  414   1HG2  VAL  55          HG21      VAL  55  21.427  -9.194  -1.774
  415   2HG2  VAL  55          HG22      VAL  55  22.894  -9.271  -0.796
  416   3HG2  VAL  55          HG23      VAL  55  22.744  -8.059  -2.069
  417    H    TYR  56           HN       TYR  56  18.327  -7.687  -0.917
  418    HA   TYR  56           HA       TYR  56  17.573  -6.979   1.626
  419   1HB   TYR  56          HB2       TYR  56  16.044  -5.061   1.274
  420   2HB   TYR  56          HB1       TYR  56  17.712  -4.643   0.887
  421    HD1  TYR  56           HD1      TYR  56  18.414  -4.643  -1.550
  422    HD2  TYR  56           HD2      TYR  56  14.342  -4.825  -0.338
  423    HE1  TYR  56           HE1      TYR  56  17.723  -3.927  -3.796
  424    HE2  TYR  56           HE2      TYR  56  13.637  -4.108  -2.583
  425    HH   TYR  56           HH       TYR  56  15.744  -4.066  -5.243
  426    H    ASN  57           HN       ASN  57  15.027  -6.880   1.856
  427    HA   ASN  57           HA       ASN  57  13.932  -8.881  -0.004
  428   1HB   ASN  57          HB2       ASN  57  13.292  -8.345   2.902
  429   2HB   ASN  57          HB1       ASN  57  12.375  -9.452   1.886
  430   1HD2  ASN  57          HD21      ASN  57  13.290 -11.393   1.258
  431   2HD2  ASN  57          HD22      ASN  57  14.710 -12.032   2.007
  432    H    THR  58           HN       THR  58  11.351  -8.781   0.183
  433    HA   THR  58           HA       THR  58  10.673  -6.140  -0.812
  434    HB   THR  58           HB       THR  58   8.843  -8.532  -0.603
  435    HG1  THR  58           HG1      THR  58  11.021  -8.291  -2.093
  436   1HG2  THR  58          HG21      THR  58   7.752  -6.362  -0.987
  437   2HG2  THR  58          HG22      THR  58   7.612  -7.416  -2.394
  438   3HG2  THR  58          HG23      THR  58   8.784  -6.097  -2.393
  439    H    PHE  59           HN       PHE  59  10.606  -4.837   0.995
  440    HA   PHE  59           HA       PHE  59   9.345  -5.470   3.413
  441   1HB   PHE  59          HB2       PHE  59   9.092  -2.698   3.145
  442   2HB   PHE  59          HB1       PHE  59  10.406  -3.566   3.928
  443    HD1  PHE  59           HD1      PHE  59  12.503  -4.002   2.717
  444    HD2  PHE  59           HD2      PHE  59   9.391  -1.639   1.033
  445    HE1  PHE  59           HE1      PHE  59  14.088  -3.096   1.067
  446    HE2  PHE  59           HE2      PHE  59  10.968  -0.731  -0.621
  447    HZ   PHE  59           HZ       PHE  59  13.321  -1.460  -0.606
  448    H    CYS  60           HN       CYS  60   8.141  -3.374   0.795
  449    HA   CYS  60           HA       CYS  60   5.409  -3.844   1.765
  450   1HB   CYS  60          HB2       CYS  60   5.050  -1.922  -0.058
  451   2HB   CYS  60          HB1       CYS  60   5.528  -1.565   1.599
  452    H    ILE  61           HN       ILE  61   4.361  -5.431   0.775
  453    HA   ILE  61           HA       ILE  61   5.190  -6.407  -1.795
  454    HB   ILE  61           HB       ILE  61   3.808  -8.229  -1.453
  455   1HG1  ILE  61          HG12      ILE  61   2.132  -6.735   0.566
  456   2HG1  ILE  61          HG11      ILE  61   1.734  -6.769  -1.149
  457   1HG2  ILE  61          HG21      ILE  61   4.344  -7.224   1.339
  458   2HG2  ILE  61          HG22      ILE  61   5.512  -8.049   0.305
  459   3HG2  ILE  61          HG23      ILE  61   4.073  -8.902   0.866
  460   1HD1  ILE  61          HD11      ILE  61   0.486  -8.426   0.174
  461   2HD1  ILE  61          HD12      ILE  61   2.013  -9.204   0.593
  462   3HD1  ILE  61          HD13      ILE  61   1.478  -9.159  -1.086
  463    H    TYR  62           HN       TYR  62   2.963  -4.085  -0.704
  464    HA   TYR  62           HA       TYR  62   1.431  -2.754  -1.771
  465   1HB   TYR  62          HB2       TYR  62   3.401  -2.845  -3.505
  466   2HB   TYR  62          HB1       TYR  62   2.281  -3.839  -4.433
  467    HD1  TYR  62           HD1      TYR  62  -0.304  -2.498  -3.845
  468    HD2  TYR  62           HD2      TYR  62   3.525  -0.866  -4.677
  469    HE1  TYR  62           HE1      TYR  62  -1.364  -0.440  -4.668
  470    HE2  TYR  62           HE2      TYR  62   2.495   1.201  -5.489
  471    HH   TYR  62           HH       TYR  62   0.322   1.914  -6.437
  472    H    LYS  63           HN       LYS  63  -0.617  -3.406  -1.431
  473    HA   LYS  63           HA       LYS  63  -1.898  -4.914  -3.518
  474   1HB   LYS  63          HB2       LYS  63  -2.879  -6.516  -1.834
  475   2HB   LYS  63          HB1       LYS  63  -1.181  -6.756  -2.210
  476   1HG   LYS  63          HG2       LYS  63  -0.501  -5.790  -0.157
  477   2HG   LYS  63          HG1       LYS  63  -2.134  -5.212   0.182
  478   1HD   LYS  63          HD2       LYS  63  -2.914  -7.318   0.712
  479   2HD   LYS  63          HD1       LYS  63  -1.650  -8.127  -0.206
  480   1HE   LYS  63          HE2       LYS  63   0.005  -7.413   1.457
  481   2HE   LYS  63          HE1       LYS  63  -1.287  -6.643   2.366
  482   1HZ   LYS  63          HZ1       LYS  63  -1.073  -9.544   1.802
  483   2HZ   LYS  63          HZ2       LYS  63  -2.333  -8.806   2.655
  484   3HZ   LYS  63          HZ3       LYS  63  -0.765  -8.799   3.290
  485    H    ARG  64           HN       ARG  64  -3.711  -3.884  -3.938
  486    HA   ARG  64           HA       ARG  64  -5.140  -2.586  -1.719
  487   1HB   ARG  64          HB2       ARG  64  -5.910  -0.943  -3.537
  488   2HB   ARG  64          HB1       ARG  64  -4.271  -0.785  -2.922
  489   1HG   ARG  64          HG2       ARG  64  -3.832  -2.439  -4.996
  490   2HG   ARG  64          HG1       ARG  64  -5.226  -1.539  -5.599
  491   1HD   ARG  64          HD2       ARG  64  -2.738  -0.266  -4.471
  492   2HD   ARG  64          HD1       ARG  64  -3.020  -0.540  -6.191
  493    HE   ARG  64           HE       ARG  64  -5.158   0.869  -5.651
  494   1HH1  ARG  64          HH11      ARG  64  -1.931   1.345  -4.430
  495   2HH1  ARG  64          HH12      ARG  64  -2.104   3.060  -4.272
  496   1HH2  ARG  64          HH21      ARG  64  -5.395   3.129  -5.449
  497   2HH2  ARG  64          HH22      ARG  64  -4.072   4.075  -4.852
  498    H    CYS  65           HN       CYS  65  -7.481  -1.973  -2.594
  499    HA   CYS  65           HA       CYS  65  -8.576  -4.428  -3.792
  500   1HB   CYS  65          HB2       CYS  65 -10.136  -2.574  -2.004
  501   2HB   CYS  65          HB1       CYS  65 -10.480  -4.251  -2.412
  502    H    ARG  66           HN       ARG  66  -9.724  -4.190  -5.632
  503    HA   ARG  66           HA       ARG  66  -9.705  -1.798  -7.023
  504   1HB   ARG  66          HB2       ARG  66 -10.052  -3.899  -8.184
  505   2HB   ARG  66          HB1       ARG  66 -11.578  -4.153  -7.347
  506   1HG   ARG  66          HG2       ARG  66 -11.798  -3.375  -9.704
  507   2HG   ARG  66          HG1       ARG  66 -12.609  -2.352  -8.516
  508   1HD   ARG  66          HD2       ARG  66 -10.738  -0.789  -8.563
  509   2HD   ARG  66          HD1       ARG  66  -9.895  -1.818  -9.721
  510    HE   ARG  66           HE       ARG  66 -12.388  -1.174 -10.797
  511   1HH1  ARG  66          HH11      ARG  66  -9.406   0.403  -9.921
  512   2HH1  ARG  66          HH12      ARG  66  -9.569   1.655 -11.106
  513   1HH2  ARG  66          HH21      ARG  66 -12.611   0.475 -12.360
  514   2HH2  ARG  66          HH22      ARG  66 -11.390   1.696 -12.490
  515    H    HIS  67           HN       HIS  67 -11.103  -0.138  -7.307
  516    HA   HIS  67           HA       HIS  67 -12.722   0.565  -5.104
  517   1HB   HIS  67          HB2       HIS  67 -11.593   2.168  -6.687
  518   2HB   HIS  67          HB1       HIS  67 -12.835   1.774  -7.872
  519    HD1  HIS  67           HD1      HIS  67 -14.933   3.123  -7.763
  520    HD2  HIS  67           HD2      HIS  67 -12.696   3.391  -4.274
  521    HE1  HIS  67           HE1      HIS  67 -16.091   4.857  -6.356
  522    HE2  HIS  67           HE2      HIS  67 -14.773   4.935  -4.210
  523    HA   PRO  68           HA       PRO  68 -16.355  -1.837  -6.161
  524   1HB   PRO  68          HB2       PRO  68 -18.087  -0.381  -4.554
  525   2HB   PRO  68          HB1       PRO  68 -17.138  -1.768  -4.015
  526   1HG   PRO  68          HG2       PRO  68 -16.607   1.145  -3.664
  527   2HG   PRO  68          HG1       PRO  68 -16.279  -0.201  -2.559
  528   1HD   PRO  68          HD2       PRO  68 -14.324   0.964  -4.007
  529   2HD   PRO  68          HD1       PRO  68 -14.308  -0.770  -3.627
  530    H    GLY  69           HN       GLY  69 -15.896   1.554  -6.552
  531   1HA   GLY  69          HA2       GLY  69 -16.513   2.672  -8.541
  532   2HA   GLY  69          HA1       GLY  69 -17.733   1.444  -8.822
  533    H    GLU  70           HN       GLU  70 -19.175   3.051  -9.297
  534    HA   GLU  70           HA       GLU  70 -19.927   5.011  -7.300
  535   1HB   GLU  70          HB2       GLU  70 -19.965   5.653  -9.670
  536   2HB   GLU  70          HB1       GLU  70 -21.120   4.372 -10.006
  537   1HG   GLU  70          HG2       GLU  70 -22.303   6.431  -9.910
  538   2HG   GLU  70          HG1       GLU  70 -22.722   5.494  -8.477
  539    H    LEU  71           HN       LEU  71 -21.552   4.995  -5.999
  540    HA   LEU  71           HA       LEU  71 -23.216   2.576  -5.884
  541   1HB   LEU  71          HB2       LEU  71 -22.000   2.861  -3.863
  542   2HB   LEU  71          HB1       LEU  71 -22.314   4.583  -3.823
  543    HG   LEU  71           HG       LEU  71 -24.670   4.120  -3.311
  544   1HD1  LEU  71          HD11      LEU  71 -23.808   1.246  -3.115
  545   2HD1  LEU  71          HD12      LEU  71 -24.847   1.921  -4.371
  546   3HD1  LEU  71          HD13      LEU  71 -25.397   1.890  -2.694
  547   1HD2  LEU  71          HD21      LEU  71 -23.101   4.535  -1.508
  548   2HD2  LEU  71          HD22      LEU  71 -22.713   2.816  -1.440
  549   3HD2  LEU  71          HD23      LEU  71 -24.332   3.373  -1.014
  550    H    ARG  72           HN       ARG  72 -24.926   3.026  -7.182
  551    HA   ARG  72           HA       ARG  72 -26.045   5.584  -7.568
  552   1HB   ARG  72          HB2       ARG  72 -26.408   3.715  -9.156
  553   2HB   ARG  72          HB1       ARG  72 -27.361   2.875  -7.938
  554   1HG   ARG  72          HG2       ARG  72 -29.062   4.557  -8.019
  555   2HG   ARG  72          HG1       ARG  72 -28.082   5.557  -9.096
  556   1HD   ARG  72          HD2       ARG  72 -28.271   3.972 -10.865
  557   2HD   ARG  72          HD1       ARG  72 -29.001   2.776  -9.795
  558    HE   ARG  72           HE       ARG  72 -30.682   4.945  -9.716
  559   1HH1  ARG  72          HH11      ARG  72 -29.428   2.844 -12.196
  560   2HH1  ARG  72          HH12      ARG  72 -30.838   2.967 -13.195
  561   1HH2  ARG  72          HH21      ARG  72 -32.545   5.111 -11.021
  562   2HH2  ARG  72          HH22      ARG  72 -32.612   4.255 -12.526
  563    H    ASN  73           HN       ASN  73 -27.241   6.805  -6.491
  564    HA   ASN  73           HA       ASN  73 -28.445   7.687  -4.787
  565   1HB   ASN  73          HB2       ASN  73 -29.591   4.877  -4.613
  566   2HB   ASN  73          HB1       ASN  73 -30.242   6.280  -3.772
  567   1HD2  ASN  73          HD21      ASN  73 -29.973   4.612  -6.768
  568   2HD2  ASN  73          HD22      ASN  73 -31.069   5.602  -7.665
  569    H    GLY  74           HN       GLY  74 -25.918   7.202  -4.201
  570   1HA   GLY  74          HA2       GLY  74 -25.937   6.715  -1.436
  571   2HA   GLY  74          HA1       GLY  74 -25.281   5.316  -2.263
  572    H    GLN  75           HN       GLN  75 -23.589   6.322  -0.605
  573    HA   GLN  75           HA       GLN  75 -21.677   7.775  -2.288
  574   1HB   GLN  75          HB2       GLN  75 -22.667   9.432  -0.806
  575   2HB   GLN  75          HB1       GLN  75 -22.326   8.423   0.591
  576   1HG   GLN  75          HG2       GLN  75 -20.720  10.202   0.466
  577   2HG   GLN  75          HG1       GLN  75 -19.921   8.662   0.155
  578   1HE2  GLN  75          HE21      GLN  75 -21.926  10.298  -2.190
  579   2HE2  GLN  75          HE22      GLN  75 -20.652  10.714  -3.279
  580    H    VAL  76           HN       VAL  76 -19.605   7.109  -2.140
  581    HA   VAL  76           HA       VAL  76 -19.083   4.845  -0.325
  582    HB   VAL  76           HB       VAL  76 -17.599   5.542  -2.862
  583   1HG1  VAL  76          HG11      VAL  76 -16.238   4.375  -1.193
  584   2HG1  VAL  76          HG12      VAL  76 -16.565   3.346  -2.587
  585   3HG1  VAL  76          HG13      VAL  76 -17.458   3.106  -1.084
  586   1HG2  VAL  76          HG21      VAL  76 -18.708   3.551  -3.805
  587   2HG2  VAL  76          HG22      VAL  76 -19.850   4.831  -3.393
  588   3HG2  VAL  76          HG23      VAL  76 -19.682   3.425  -2.340
  589    H    GLU  77           HN       GLU  77 -18.059   5.559   1.470
  590    HA   GLU  77           HA       GLU  77 -16.442   7.909   1.472
  591   1HB   GLU  77          HB2       GLU  77 -17.672   7.288   3.466
  592   2HB   GLU  77          HB1       GLU  77 -16.812   5.757   3.559
  593   1HG   GLU  77          HG2       GLU  77 -15.910   7.292   5.172
  594   2HG   GLU  77          HG1       GLU  77 -14.712   6.984   3.919
  595    H    ILE  78           HN       ILE  78 -14.627   7.826   0.280
  596    HA   ILE  78           HA       ILE  78 -12.749   5.609   0.793
  597    HB   ILE  78           HB       ILE  78 -12.868   7.395  -1.645
  598   1HG1  ILE  78          HG12      ILE  78 -14.757   5.777  -1.480
  599   2HG1  ILE  78          HG11      ILE  78 -13.698   5.465  -2.850
  600   1HG2  ILE  78          HG21      ILE  78 -10.618   6.739  -1.285
  601   2HG2  ILE  78          HG22      ILE  78 -11.253   5.689  -2.553
  602   3HG2  ILE  78          HG23      ILE  78 -11.091   5.084  -0.905
  603   1HD1  ILE  78          HD11      ILE  78 -14.284   3.384  -1.848
  604   2HD1  ILE  78          HD12      ILE  78 -13.797   3.956  -0.253
  605   3HD1  ILE  78          HD13      ILE  78 -12.583   3.700  -1.505
  606    H    LYS  79           HN       LYS  79 -10.682   6.087   1.440
  607    HA   LYS  79           HA       LYS  79  -9.569   8.710   1.280
  608   1HB   LYS  79          HB2       LYS  79  -9.499   9.206   3.660
  609   2HB   LYS  79          HB1       LYS  79 -11.164   9.072   3.117
  610   1HG   LYS  79          HG2       LYS  79  -9.618   6.927   4.564
  611   2HG   LYS  79          HG1       LYS  79 -10.796   8.014   5.301
  612   1HD   LYS  79          HD2       LYS  79 -12.450   7.097   3.575
  613   2HD   LYS  79          HD1       LYS  79 -11.259   5.820   3.295
  614   1HE   LYS  79          HE2       LYS  79 -11.345   5.258   5.693
  615   2HE   LYS  79          HE1       LYS  79 -12.582   6.491   5.923
  616   1HZ   LYS  79          HZ1       LYS  79 -12.832   4.101   4.180
  617   2HZ   LYS  79          HZ2       LYS  79 -14.018   5.285   4.401
  618   3HZ   LYS  79          HZ3       LYS  79 -13.559   4.298   5.696
  619    H    THR  80           HN       THR  80  -8.947   5.851   0.799
  620    HA   THR  80           HA       THR  80  -6.293   5.907   1.985
  621    HB   THR  80           HB       THR  80  -6.395   3.585   2.748
  622    HG1  THR  80           HG1      THR  80  -8.871   3.707   1.530
  623   1HG2  THR  80          HG21      THR  80  -6.783   5.103   4.496
  624   2HG2  THR  80          HG22      THR  80  -8.102   3.940   4.635
  625   3HG2  THR  80          HG23      THR  80  -8.390   5.519   3.898
  626    H    ASP  81           HN       ASP  81  -7.925   5.916  -0.683
  627    HA   ASP  81           HA       ASP  81  -7.498   5.224  -2.865
  628   1HB   ASP  81          HB2       ASP  81  -4.942   4.292  -1.572
  629   2HB   ASP  81          HB1       ASP  81  -5.222   4.328  -3.309
  630    H    LEU  82           HN       LEU  82  -8.298   3.362  -0.483
  631    HA   LEU  82           HA       LEU  82  -9.074   1.250  -0.200
  632   1HB   LEU  82          HB2       LEU  82  -8.675   1.209  -3.184
  633   2HB   LEU  82          HB1       LEU  82  -9.313  -0.167  -2.306
  634    HG   LEU  82           HG       LEU  82 -11.243   0.848  -3.066
  635   1HD1  LEU  82          HD11      LEU  82 -12.369   1.807  -1.203
  636   2HD1  LEU  82          HD12      LEU  82 -10.851   2.338  -0.480
  637   3HD1  LEU  82          HD13      LEU  82 -11.230   0.618  -0.571
  638   1HD2  LEU  82          HD21      LEU  82  -9.941   3.510  -2.523
  639   2HD2  LEU  82          HD22      LEU  82 -11.592   3.291  -3.105
  640   3HD2  LEU  82          HD23      LEU  82 -10.230   2.770  -4.098
  641    H    SER  83           HN       SER  83  -6.652   1.554   0.686
  642    HA   SER  83           HA       SER  83  -4.930  -0.493  -0.495
  643   1HB   SER  83          HB2       SER  83  -3.519   1.254  -0.037
  644   2HB   SER  83          HB1       SER  83  -4.494   1.826   1.321
  645    HG   SER  83           HG       SER  83  -3.288   0.701   2.610
  646    H    PHE  84           HN       PHE  84  -4.737  -2.458   0.349
  647    HA   PHE  84           HA       PHE  84  -6.364  -3.777   1.935
  648   1HB   PHE  84          HB2       PHE  84  -4.452  -4.880   0.950
  649   2HB   PHE  84          HB1       PHE  84  -3.355  -4.046   2.047
  650    HD1  PHE  84           HD1      PHE  84  -2.471  -5.409   3.655
  651    HD2  PHE  84           HD2      PHE  84  -6.493  -6.039   2.414
  652    HE1  PHE  84           HE1      PHE  84  -2.677  -7.252   5.272
  653    HE2  PHE  84           HE2      PHE  84  -6.706  -7.883   4.027
  654    HZ   PHE  84           HZ       PHE  84  -4.797  -8.492   5.460
  655    H    GLY  85           HN       GLY  85  -6.999  -3.983   3.984
  656   1HA   GLY  85          HA2       GLY  85  -6.900  -3.797   6.316
  657   2HA   GLY  85          HA1       GLY  85  -5.444  -2.825   6.152
  658    H    SER  86           HN       SER  86  -8.593  -2.301   4.595
  659    HA   SER  86           HA       SER  86  -9.053  -0.005   6.337
  660   1HB   SER  86          HB2       SER  86  -9.080   0.235   3.324
  661   2HB   SER  86          HB1       SER  86  -9.459   1.513   4.481
  662    HG   SER  86           HG       SER  86  -7.405   1.873   4.698
  663    H    GLN  87           HN       GLN  87 -11.141   0.780   6.376
  664    HA   GLN  87           HA       GLN  87 -13.171  -1.022   5.240
  665   1HB   GLN  87          HB2       GLN  87 -13.183  -1.578   7.519
  666   2HB   GLN  87          HB1       GLN  87 -12.911   0.083   8.023
  667   1HG   GLN  87          HG2       GLN  87 -15.459  -0.808   6.710
  668   2HG   GLN  87          HG1       GLN  87 -15.204  -0.878   8.454
  669   1HE2  GLN  87          HE21      GLN  87 -13.513   1.543   8.332
  670   2HE2  GLN  87          HE22      GLN  87 -14.608   2.867   8.181
  671    H    ILE  88           HN       ILE  88 -14.791  -0.042   4.143
  672    HA   ILE  88           HA       ILE  88 -15.043   2.879   4.394
  673    HB   ILE  88           HB       ILE  88 -15.595   2.992   2.011
  674   1HG1  ILE  88          HG12      ILE  88 -14.701   0.112   1.822
  675   2HG1  ILE  88          HG11      ILE  88 -16.395   0.589   1.879
  676   1HG2  ILE  88          HG21      ILE  88 -13.289   3.342   2.782
  677   2HG2  ILE  88          HG22      ILE  88 -13.351   2.674   1.151
  678   3HG2  ILE  88          HG23      ILE  88 -12.952   1.630   2.516
  679   1HD1  ILE  88          HD11      ILE  88 -15.610   0.166  -0.400
  680   2HD1  ILE  88          HD12      ILE  88 -14.424   1.460  -0.219
  681   3HD1  ILE  88          HD13      ILE  88 -16.149   1.829  -0.176
  682    H    GLU  89           HN       GLU  89 -16.990   3.558   4.973
  683    HA   GLU  89           HA       GLU  89 -19.215   1.686   4.976
  684   1HB   GLU  89          HB2       GLU  89 -18.532   4.209   6.378
  685   2HB   GLU  89          HB1       GLU  89 -20.237   3.914   6.087
  686   1HG   GLU  89          HG2       GLU  89 -20.020   1.732   7.214
  687   2HG   GLU  89          HG1       GLU  89 -18.334   2.110   7.562
  688    H    PHE  90           HN       PHE  90 -21.224   2.122   4.017
  689    HA   PHE  90           HA       PHE  90 -21.097   3.970   1.735
  690   1HB   PHE  90          HB2       PHE  90 -23.064   1.725   2.220
  691   2HB   PHE  90          HB1       PHE  90 -22.847   2.640   0.732
  692    HD1  PHE  90           HD1      PHE  90 -20.855   2.286  -0.673
  693    HD2  PHE  90           HD2      PHE  90 -21.592  -0.059   2.809
  694    HE1  PHE  90           HE1      PHE  90 -19.218   0.623  -1.446
  695    HE2  PHE  90           HE2      PHE  90 -19.955  -1.721   2.036
  696    HZ   PHE  90           HZ       PHE  90 -18.764  -1.382  -0.092
  697    H    SER  91           HN       SER  91 -23.580   4.583   1.142
  698    HA   SER  91           HA       SER  91 -25.128   5.299   3.453
  699   1HB   SER  91          HB2       SER  91 -23.694   7.478   1.924
  700   2HB   SER  91          HB1       SER  91 -25.007   7.758   3.067
  701    HG   SER  91           HG       SER  91 -23.662   6.685   4.648
  702    H    CYS  92           HN       CYS  92 -27.133   4.955   2.811
  703    HA   CYS  92           HA       CYS  92 -27.813   5.231   0.001
  704   1HB   CYS  92          HB2       CYS  92 -28.561   3.302   1.544
  705   2HB   CYS  92          HB1       CYS  92 -29.756   4.441   2.158
  706    H    SER  93           HN       SER  93 -28.602   7.054  -0.812
  707    HA   SER  93           HA       SER  93 -28.970   9.396   0.583
  708   1HB   SER  93          HB2       SER  93 -30.090   8.487  -2.060
  709   2HB   SER  93          HB1       SER  93 -30.368  10.113  -1.433
  710    HG   SER  93           HG       SER  93 -28.368  10.621  -1.878
  711    H    GLU  94           HN       GLU  94 -30.991  10.717   0.643
  712    HA   GLU  94           HA       GLU  94 -32.775   9.824   2.514
  713   1HB   GLU  94          HB2       GLU  94 -32.740  12.125   2.164
  714   2HB   GLU  94          HB1       GLU  94 -32.904  11.964   0.422
  715   1HG   GLU  94          HG2       GLU  94 -35.229  11.265   0.715
  716   2HG   GLU  94          HG1       GLU  94 -35.062  11.477   2.458
  717    H    GLY  95           HN       GLY  95 -34.969   9.182   2.457
  718   1HA   GLY  95          HA2       GLY  95 -36.852   8.134   1.620
  719   2HA   GLY  95          HA1       GLY  95 -36.228   8.398   0.000
  720    H    PHE  96           HN       PHE  96 -33.674   7.036   0.585
  721    HA   PHE  96           HA       PHE  96 -34.711   4.277   0.570
  722   1HB   PHE  96          HB2       PHE  96 -32.109   4.599  -0.687
  723   2HB   PHE  96          HB1       PHE  96 -33.558   3.819  -1.309
  724    HD1  PHE  96           HD1      PHE  96 -31.345   6.541  -1.629
  725    HD2  PHE  96           HD2      PHE  96 -35.399   5.390  -2.216
  726    HE1  PHE  96           HE1      PHE  96 -31.644   8.406  -3.215
  727    HE2  PHE  96           HE2      PHE  96 -35.710   7.245  -3.799
  728    HZ   PHE  96           HZ       PHE  96 -33.827   8.758  -4.302
  729    H    PHE  97           HN       PHE  97 -33.939   2.984   2.123
  730    HA   PHE  97           HA       PHE  97 -31.823   4.015   3.822
  731   1HB   PHE  97          HB2       PHE  97 -32.452   2.348   5.412
  732   2HB   PHE  97          HB1       PHE  97 -33.928   3.056   4.781
  733    HD1  PHE  97           HD1      PHE  97 -35.177   1.785   2.966
  734    HD2  PHE  97           HD2      PHE  97 -32.113   0.049   5.356
  735    HE1  PHE  97           HE1      PHE  97 -36.051  -0.456   2.449
  736    HE2  PHE  97           HE2      PHE  97 -32.986  -2.196   4.846
  737    HZ   PHE  97           HZ       PHE  97 -34.956  -2.450   3.391
  738    H    LEU  98           HN       LEU  98 -30.168   2.529   4.620
  739    HA   LEU  98           HA       LEU  98 -28.809   1.350   2.353
  740   1HB   LEU  98          HB2       LEU  98 -27.722   2.827   4.087
  741   2HB   LEU  98          HB1       LEU  98 -27.874   1.492   5.213
  742    HG   LEU  98           HG       LEU  98 -26.186   0.301   4.250
  743   1HD1  LEU  98          HD11      LEU  98 -27.312   0.117   2.067
  744   2HD1  LEU  98          HD12      LEU  98 -25.564   0.321   1.932
  745   3HD1  LEU  98          HD13      LEU  98 -26.638   1.685   1.619
  746   1HD2  LEU  98          HD21      LEU  98 -25.229   2.409   4.971
  747   2HD2  LEU  98          HD22      LEU  98 -25.542   3.107   3.382
  748   3HD2  LEU  98          HD23      LEU  98 -24.376   1.794   3.554
  749    H    ILE  99           HN       ILE  99 -28.405  -0.793   2.034
  750    HA   ILE  99           HA       ILE  99 -28.905  -2.777   4.081
  751    HB   ILE  99           HB       ILE  99 -30.290  -3.680   1.762
  752   1HG1  ILE  99          HG12      ILE  99 -31.612  -1.270   2.954
  753   2HG1  ILE  99          HG11      ILE  99 -30.572  -1.134   1.545
  754   1HG2  ILE  99          HG21      ILE  99 -30.637  -4.656   3.897
  755   2HG2  ILE  99          HG22      ILE  99 -32.157  -3.903   3.417
  756   3HG2  ILE  99          HG23      ILE  99 -31.114  -3.109   4.595
  757   1HD1  ILE  99          HD11      ILE  99 -32.013  -2.619   0.297
  758   2HD1  ILE  99          HD12      ILE  99 -32.942  -1.269   0.951
  759   3HD1  ILE  99          HD13      ILE  99 -33.032  -2.855   1.717
  760    H    GLY 100           HN       GLY 100 -27.386  -4.183   3.897
  761   1HA   GLY 100          HA2       GLY 100 -26.679  -5.849   1.909
  762   2HA   GLY 100          HA1       GLY 100 -25.759  -4.401   1.512
  763    H    SER 101           HN       SER 101 -25.200  -3.509   4.085
  764    HA   SER 101           HA       SER 101 -24.217  -5.251   5.946
  765   1HB   SER 101          HB2       SER 101 -22.790  -6.204   4.177
  766   2HB   SER 101          HB1       SER 101 -22.090  -4.609   3.895
  767    HG   SER 101           HG       SER 101 -21.120  -4.681   5.870
  768    H    THR 102           HN       THR 102 -23.619  -2.406   4.112
  769    HA   THR 102           HA       THR 102 -23.293  -0.231   4.664
  770    HB   THR 102           HB       THR 102 -23.902   0.641   6.777
  771    HG1  THR 102           HG1      THR 102 -24.255  -0.981   8.556
  772   1HG2  THR 102          HG21      THR 102 -25.796  -0.257   5.543
  773   2HG2  THR 102          HG22      THR 102 -26.047  -0.461   7.276
  774   3HG2  THR 102          HG23      THR 102 -25.558  -1.837   6.287
  775    H    THR 103           HN       THR 103 -21.272  -2.552   5.049
  776    HA   THR 103           HA       THR 103 -19.099  -0.792   5.799
  777    HB   THR 103           HB       THR 103 -18.142  -2.818   7.142
  778    HG1  THR 103           HG1      THR 103 -19.637  -4.122   8.057
  779   1HG2  THR 103          HG21      THR 103 -19.033  -1.832   9.222
  780   2HG2  THR 103          HG22      THR 103 -20.198  -0.922   8.259
  781   3HG2  THR 103          HG23      THR 103 -18.470  -0.614   8.077
  782    H    SER 104           HN       SER 104 -17.134  -1.377   4.844
  783    HA   SER 104           HA       SER 104 -17.013  -3.905   3.396
  784   1HB   SER 104          HB2       SER 104 -17.847  -2.011   1.878
  785   2HB   SER 104          HB1       SER 104 -16.250  -1.292   2.080
  786    HG   SER 104           HG       SER 104 -16.815  -3.863   1.021
  787    H    ARG 105           HN       ARG 105 -15.260  -4.825   4.256
  788    HA   ARG 105           HA       ARG 105 -12.975  -3.127   5.018
  789   1HB   ARG 105          HB2       ARG 105 -13.534  -5.994   5.806
  790   2HB   ARG 105          HB1       ARG 105 -12.262  -4.960   6.445
  791   1HG   ARG 105          HG2       ARG 105 -13.985  -3.456   7.364
  792   2HG   ARG 105          HG1       ARG 105 -15.228  -4.567   6.787
  793   1HD   ARG 105          HD2       ARG 105 -14.220  -6.349   8.184
  794   2HD   ARG 105          HD1       ARG 105 -13.089  -5.156   8.827
  795    HE   ARG 105           HE       ARG 105 -15.550  -4.064   9.265
  796   1HH1  ARG 105          HH11      ARG 105 -14.005  -7.069  10.128
  797   2HH1  ARG 105          HH12      ARG 105 -14.930  -7.273  11.578
  798   1HH2  ARG 105          HH21      ARG 105 -16.770  -4.327  11.164
  799   2HH2  ARG 105          HH22      ARG 105 -16.506  -5.715  12.166
  800    H    CYS 106           HN       CYS 106 -10.831  -3.776   4.467
  801    HA   CYS 106           HA       CYS 106 -10.782  -5.134   1.890
  802   1HB   CYS 106          HB2       CYS 106  -9.234  -2.953   3.105
  803   2HB   CYS 106          HB1       CYS 106  -8.256  -4.115   2.215
  804    H    GLU 107           HN       GLU 107 -10.232  -7.163   1.839
  805    HA   GLU 107           HA       GLU 107  -8.300  -8.169   3.815
  806   1HB   GLU 107          HB2       GLU 107 -10.701  -8.937   4.049
  807   2HB   GLU 107          HB1       GLU 107 -10.502  -9.771   2.513
  808   1HG   GLU 107          HG2       GLU 107 -10.231 -11.235   4.477
  809   2HG   GLU 107          HG1       GLU 107  -8.815 -11.196   3.427
  810    H    VAL 108           HN       VAL 108  -7.482 -10.445   2.907
  811    HA   VAL 108           HA       VAL 108  -6.834 -10.074   0.065
  812    HB   VAL 108           HB       VAL 108  -4.871 -10.521   2.285
  813   1HG1  VAL 108          HG11      VAL 108  -3.179 -11.128   0.733
  814   2HG1  VAL 108          HG12      VAL 108  -4.235 -10.817  -0.646
  815   3HG1  VAL 108          HG13      VAL 108  -4.546 -12.197   0.411
  816   1HG2  VAL 108          HG21      VAL 108  -5.549  -8.234   1.475
  817   2HG2  VAL 108          HG22      VAL 108  -4.796  -8.650  -0.065
  818   3HG2  VAL 108          HG23      VAL 108  -3.821  -8.588   1.405
  819    H    GLN 109           HN       GLN 109  -6.999 -11.693  -1.169
  820    HA   GLN 109           HA       GLN 109  -7.123 -14.417  -0.052
  821   1HB   GLN 109          HB2       GLN 109  -8.503 -13.325  -2.519
  822   2HB   GLN 109          HB1       GLN 109  -8.650 -14.964  -1.896
  823   1HG   GLN 109          HG2       GLN 109  -9.901 -14.285  -0.055
  824   2HG   GLN 109          HG1       GLN 109  -9.384 -12.607  -0.204
  825   1HE2  GLN 109          HE21      GLN 109 -11.519 -11.881  -0.154
  826   2HE2  GLN 109          HE22      GLN 109 -12.573 -12.055  -1.511
  827    H    ASP 110           HN       ASP 110  -5.136 -15.247  -0.413
  828    HA   ASP 110           HA       ASP 110  -3.288 -16.006  -1.502
  829   1HB   ASP 110          HB2       ASP 110  -5.135 -15.592  -3.848
  830   2HB   ASP 110          HB1       ASP 110  -3.511 -16.243  -4.038
  831    H    ARG 111           HN       ARG 111  -2.343 -15.050  -4.132
  832    HA   ARG 111           HA       ARG 111  -1.114 -12.629  -3.222
  833   1HB   ARG 111          HB2       ARG 111   0.083 -12.680  -5.385
  834   2HB   ARG 111          HB1       ARG 111   0.201 -14.204  -4.518
  835   1HG   ARG 111          HG2       ARG 111  -1.364 -15.247  -5.960
  836   2HG   ARG 111          HG1       ARG 111  -1.803 -13.705  -6.700
  837   1HD   ARG 111          HD2       ARG 111  -0.327 -15.016  -8.150
  838   2HD   ARG 111          HD1       ARG 111   0.425 -13.503  -7.649
  839    HE   ARG 111           HE       ARG 111   1.185 -15.523  -5.861
  840   1HH1  ARG 111          HH11      ARG 111   1.673 -14.572  -9.179
  841   2HH1  ARG 111          HH12      ARG 111   3.240 -15.301  -9.291
  842   1HH2  ARG 111          HH21      ARG 111   3.247 -16.484  -6.003
  843   2HH2  ARG 111          HH22      ARG 111   4.134 -16.386  -7.488
  844    H    GLY 112           HN       GLY 112  -4.028 -12.671  -3.688
  845   1HA   GLY 112          HA2       GLY 112  -4.127 -10.222  -5.269
  846   2HA   GLY 112          HA1       GLY 112  -5.176 -11.543  -5.756
  847    H    VAL 113           HN       VAL 113  -4.455  -9.209  -3.307
  848    HA   VAL 113           HA       VAL 113  -6.090  -9.605  -1.233
  849    HB   VAL 113           HB       VAL 113  -5.359  -7.541  -0.858
  850   1HG1  VAL 113          HG11      VAL 113  -5.307  -6.945  -3.802
  851   2HG1  VAL 113          HG12      VAL 113  -4.023  -7.808  -2.942
  852   3HG1  VAL 113          HG13      VAL 113  -4.405  -6.135  -2.518
  853   1HG2  VAL 113          HG21      VAL 113  -7.587  -6.749  -2.720
  854   2HG2  VAL 113          HG22      VAL 113  -6.720  -5.637  -1.662
  855   3HG2  VAL 113          HG23      VAL 113  -7.678  -6.946  -0.970
  856    H    GLY 114           HN       GLY 114  -8.257  -9.369  -0.637
  857   1HA   GLY 114          HA2       GLY 114 -10.067  -9.294  -2.952
  858   2HA   GLY 114          HA1       GLY 114 -10.261 -10.427  -1.625
  859    H    TRP 115           HN       TRP 115 -12.095  -8.295  -2.672
  860    HA   TRP 115           HA       TRP 115 -12.199  -6.385  -0.518
  861   1HB   TRP 115          HB2       TRP 115 -13.476  -6.640  -3.100
  862   2HB   TRP 115          HB1       TRP 115 -14.686  -6.379  -1.854
  863    HD1  TRP 115           HD1      TRP 115 -13.009  -4.398  -4.216
  864    HE1  TRP 115           HE1      TRP 115 -12.608  -1.980  -3.420
  865    HE3  TRP 115           HE3      TRP 115 -13.727  -5.049   0.805
  866    HZ2  TRP 115           HZ2      TRP 115 -12.592  -0.546  -1.002
  867    HZ3  TRP 115           HZ3      TRP 115 -13.500  -3.100   2.288
  868    HH2  TRP 115           HH2      TRP 115 -12.943  -0.896   1.403
  869    H    SER 116           HN       SER 116 -14.868  -6.245   0.128
  870    HA   SER 116           HA       SER 116 -15.408  -8.901   1.289
  871   1HB   SER 116          HB2       SER 116 -16.291  -7.770   3.294
  872   2HB   SER 116          HB1       SER 116 -14.599  -7.352   3.022
  873    HG   SER 116           HG       SER 116 -16.899  -5.780   2.711
  874    H    HIS 117           HN       HIS 117 -16.840  -5.772   0.408
  875    HA   HIS 117           HA       HIS 117 -19.015  -6.997  -0.968
  876   1HB   HIS 117          HB2       HIS 117 -19.746  -7.264   1.404
  877   2HB   HIS 117          HB1       HIS 117 -19.692  -5.513   1.575
  878    HD1  HIS 117           HD1      HIS 117 -21.834  -4.356   1.156
  879    HD2  HIS 117           HD2      HIS 117 -21.670  -8.044  -0.750
  880    HE1  HIS 117           HE1      HIS 117 -24.095  -4.669   0.102
  881    HE2  HIS 117           HE2      HIS 117 -23.952  -6.878  -1.098
  882    HA   PRO 118           HA       PRO 118 -18.573  -2.898  -2.655
  883   1HB   PRO 118          HB2       PRO 118 -19.965  -3.258  -4.904
  884   2HB   PRO 118          HB1       PRO 118 -18.414  -4.072  -4.654
  885   1HG   PRO 118          HG2       PRO 118 -21.192  -5.150  -4.393
  886   2HG   PRO 118          HG1       PRO 118 -19.749  -5.925  -5.069
  887   1HD   PRO 118          HD2       PRO 118 -20.733  -6.328  -2.503
  888   2HD   PRO 118          HD1       PRO 118 -19.076  -6.682  -3.028
  889    H    LEU 119           HN       LEU 119 -20.592  -1.771  -4.255
  890    HA   LEU 119           HA       LEU 119 -22.156  -0.365  -2.523
  891   1HB   LEU 119          HB2       LEU 119 -23.023  -1.146  -5.294
  892   2HB   LEU 119          HB1       LEU 119 -23.414   0.313  -4.415
  893    HG   LEU 119           HG       LEU 119 -21.823   1.148  -5.804
  894   1HD1  LEU 119          HD11      LEU 119 -19.680   1.360  -4.678
  895   2HD1  LEU 119          HD12      LEU 119 -20.082  -0.004  -3.633
  896   3HD1  LEU 119          HD13      LEU 119 -21.007   1.495  -3.523
  897   1HD2  LEU 119          HD21      LEU 119 -20.398  -1.497  -5.706
  898   2HD2  LEU 119          HD22      LEU 119 -19.909  -0.100  -6.665
  899   3HD2  LEU 119          HD23      LEU 119 -21.436  -0.912  -7.007
  900    HA   PRO 120           HA       PRO 120 -24.954  -3.504  -0.971
  901   1HB   PRO 120          HB2       PRO 120 -26.313  -1.124   0.152
  902   2HB   PRO 120          HB1       PRO 120 -25.687  -2.556   0.974
  903   1HG   PRO 120          HG2       PRO 120 -24.435  -0.212   1.174
  904   2HG   PRO 120          HG1       PRO 120 -23.521  -1.728   1.048
  905   1HD   PRO 120          HD2       PRO 120 -24.099   0.318  -1.063
  906   2HD   PRO 120          HD1       PRO 120 -22.588  -0.552  -0.722
  907    H    GLN 121           HN       GLN 121 -27.616  -1.990  -0.421
  908    HA   GLN 121           HA       GLN 121 -28.648  -1.960  -3.173
  909   1HB   GLN 121          HB2       GLN 121 -29.041  -4.138  -1.675
  910   2HB   GLN 121          HB1       GLN 121 -30.361  -3.158  -1.056
  911   1HG   GLN 121          HG2       GLN 121 -31.204  -2.872  -3.346
  912   2HG   GLN 121          HG1       GLN 121 -29.910  -3.918  -3.932
  913   1HE2  GLN 121          HE21      GLN 121 -32.913  -3.756  -2.214
  914   2HE2  GLN 121          HE22      GLN 121 -33.223  -5.456  -2.177
  915    H    CYS 122           HN       CYS 122 -29.643  -0.047  -3.533
  916    HA   CYS 122           HA       CYS 122 -30.750   1.349  -1.208
  917   1HB   CYS 122          HB2       CYS 122 -29.358   2.226  -3.651
  918   2HB   CYS 122          HB1       CYS 122 -30.719   3.231  -3.156
  919    H    GLU 123           HN       GLU 123 -32.858   1.020  -0.971
  920    HA   GLU 123           HA       GLU 123 -34.590   1.347  -3.325
  921   1HB   GLU 123          HB2       GLU 123 -34.424  -1.059  -2.806
  922   2HB   GLU 123          HB1       GLU 123 -34.928  -0.734  -1.154
  923   1HG   GLU 123          HG2       GLU 123 -36.775  -1.591  -2.456
  924   2HG   GLU 123          HG1       GLU 123 -37.084   0.074  -1.968
  925    H    ILE 124           HN       ILE 124 -36.580   2.309  -2.940
  926    HA   ILE 124           HA       ILE 124 -36.569   4.290  -0.930
  927    HB   ILE 124           HB       ILE 124 -37.786   4.388  -3.150
  928   1HG1  ILE 124          HG12      ILE 124 -39.830   5.559  -2.064
  929   2HG1  ILE 124          HG11      ILE 124 -39.054   5.154  -0.537
  930   1HG2  ILE 124          HG21      ILE 124 -39.759   2.682  -1.646
  931   2HG2  ILE 124          HG22      ILE 124 -38.907   2.274  -3.135
  932   3HG2  ILE 124          HG23      ILE 124 -40.124   3.549  -3.137
  933   1HD1  ILE 124          HD11      ILE 124 -38.470   7.389  -1.144
  934   2HD1  ILE 124          HD12      ILE 124 -37.922   6.860  -2.735
  935   3HD1  ILE 124          HD13      ILE 124 -37.039   6.369  -1.289
  936    H    LEU 125           HN       LEU 125 -37.968   4.527   0.894
  937    HA   LEU 125           HA       LEU 125 -38.203   2.193   2.466
  938   1HB   LEU 125          HB2       LEU 125 -39.410   4.931   2.861
  939   2HB   LEU 125          HB1       LEU 125 -39.416   3.661   4.068
  940    HG   LEU 125           HG       LEU 125 -36.957   5.005   2.935
  941   1HD1  LEU 125          HD11      LEU 125 -38.257   6.444   4.428
  942   2HD1  LEU 125          HD12      LEU 125 -36.722   5.971   5.154
  943   3HD1  LEU 125          HD13      LEU 125 -38.217   5.191   5.668
  944   1HD2  LEU 125          HD21      LEU 125 -37.188   2.962   5.141
  945   2HD2  LEU 125          HD22      LEU 125 -35.707   3.744   4.584
  946   3HD2  LEU 125          HD23      LEU 125 -36.581   2.643   3.517
  947    H    GLU 126           HN       GLU 126 -40.196   3.427   0.042
  948    HA   GLU 126           HA       GLU 126 -42.593   2.129   1.114
  949   1HB   GLU 126          HB2       GLU 126 -42.215   3.911  -1.298
  950   2HB   GLU 126          HB1       GLU 126 -43.748   3.195  -0.817
  951   1HG   GLU 126          HG2       GLU 126 -42.121   5.127   0.819
  952   2HG   GLU 126          HG1       GLU 126 -43.569   5.519  -0.108
  953    H    HIS 127           HN       HIS 127 -43.944   1.014  -0.690
  954    HA   HIS 127           HA       HIS 127 -42.144  -0.706  -2.268
  955   1HB   HIS 127          HB2       HIS 127 -44.731  -1.608  -0.998
  956   2HB   HIS 127          HB1       HIS 127 -43.507  -2.611  -1.770
  957    HD1  HIS 127           HD1      HIS 127 -44.342  -0.923   1.431
  958    HD2  HIS 127           HD2      HIS 127 -41.205  -3.104  -0.203
  959    HE1  HIS 127           HE1      HIS 127 -42.874  -1.546   3.374
  960    HE2  HIS 127           HE2      HIS 127 -40.947  -2.809   2.354
  961    H    HIS 128           HN       HIS 128 -45.407   0.638  -1.983
  962    HA   HIS 128           HA       HIS 128 -45.908   0.048  -4.807
  963   1HB   HIS 128          HB2       HIS 128 -47.769   1.062  -2.648
  964   2HB   HIS 128          HB1       HIS 128 -48.243   0.691  -4.303
  965    HD1  HIS 128           HD1      HIS 128 -48.518  -1.777  -4.934
  966    HD2  HIS 128           HD2      HIS 128 -47.286  -1.182  -1.010
  967    HE1  HIS 128           HE1      HIS 128 -48.769  -4.010  -3.806
  968    HE2  HIS 128           HE2      HIS 128 -48.094  -3.606  -1.412
  969    H    HIS 129           HN       HIS 129 -46.932   1.721  -6.143
  970    HA   HIS 129           HA       HIS 129 -45.948   4.421  -5.478
  971   1HB   HIS 129          HB2       HIS 129 -44.858   3.027  -7.421
  972   2HB   HIS 129          HB1       HIS 129 -46.298   3.507  -8.312
  973    HD1  HIS 129           HD1      HIS 129 -43.382   5.082  -6.473
  974    HD2  HIS 129           HD2      HIS 129 -46.176   5.998  -9.410
  975    HE1  HIS 129           HE1      HIS 129 -42.688   7.318  -7.387
  976    HE2  HIS 129           HE2      HIS 129 -44.386   7.851  -9.170
  977    H    HIS 130           HN       HIS 130 -47.130   6.099  -7.004
  978    HA   HIS 130           HA       HIS 130 -49.931   5.837  -6.388
  979   1HB   HIS 130          HB2       HIS 130 -50.118   8.135  -7.300
  980   2HB   HIS 130          HB1       HIS 130 -48.887   7.993  -6.050
  981    HD1  HIS 130           HD1      HIS 130 -46.711   9.018  -6.604
  982    HD2  HIS 130           HD2      HIS 130 -48.885   8.068 -10.015
  983    HE1  HIS 130           HE1      HIS 130 -45.359   9.902  -8.532
  984    HE2  HIS 130           HE2      HIS 130 -46.676   9.284 -10.588
  985    H    HIS 131           HN       HIS 131 -48.141   4.664  -8.842
  986    HA   HIS 131           HA       HIS 131 -48.618   3.773 -10.876
  987   1HB   HIS 131          HB2       HIS 131 -51.494   4.384 -10.166
  988   2HB   HIS 131          HB1       HIS 131 -50.950   3.300 -11.444
  989    HD1  HIS 131           HD1      HIS 131 -51.405   3.518  -7.756
  990    HD2  HIS 131           HD2      HIS 131 -49.987   0.805 -10.565
  991    HE1  HIS 131           HE1      HIS 131 -51.203   1.330  -6.533
  992    HE2  HIS 131           HE2      HIS 131 -50.273  -0.280  -8.235
  993    H    HIS 132           HN       HIS 132 -48.818   4.391 -13.003
  994    HA   HIS 132           HA       HIS 132 -48.781   5.823 -14.765
  995   1HB   HIS 132          HB2       HIS 132 -51.222   5.803 -14.355
  996   2HB   HIS 132          HB1       HIS 132 -51.038   7.186 -13.280
  997    HD1  HIS 132           HD1      HIS 132 -50.030   9.406 -14.502
  998    HD2  HIS 132           HD2      HIS 132 -51.642   6.465 -16.957
  999    HE1  HIS 132           HE1      HIS 132 -50.450  10.531 -16.712
 1000    HE2  HIS 132           HE2      HIS 132 -51.387   8.722 -18.196